*HEADER   SWEET PROTEIN                           12-MAR-98   1BRZ    
*TITLE    SOLUTION STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, NMR,      
*TITLE   2 43 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: BRAZZEIN;                                        
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 BIOLOGICAL_UNIT: MONOMER                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA;             
*SOURCE  3 ORGANISM_COMMON: J'OUBLIE;                                 
*SOURCE  4 ORGAN: FRUIT;                                              
*SOURCE  5 TISSUE: PULP SURROUNDING SEEDS;                            
*SOURCE  6 OTHER_DETAILS: EXTRACTED FROM FRUIT GROWN IN THE WILD      
*KEYWDS   SWEET PROTEIN, CYSTEINE-STABILIZED ALPHA-BETA               
*EXPDTA   NMR, 43 STRUCTURES                                          
*AUTHOR   J.E.CALDWELL,F.ABILDGAARD,Z.DZAKULA,D.MING,G.HELLEKANT,     
*AUTHOR  2 J.L.MARKLEY                                                
*REVDAT  1   01-JUL-98 1BRZ    0                                      
 
! UNIQUE ASSIGNMENTS: 
assign (resid 18 and name HB2) (resid 18 and name HA) 3.15974  1.45974  2.12026
assign (resid 1 and name HA) (resid 1 and name HN) 3.47046  1.77046  0.279541
assign (resid 48 and name HA) (resid 7 and name HN) 4.13195  2.43195  0.868047
assign (resid 48 and name HG1*) (resid 48 and name HA) 3.11903  1.41903  0.380967
assign (resid 7 and name HG1*) (resid 48 and name HA) 3.49349  1.79349  0.256514
assign (resid 36 and name HA) (resid 23 and name HN) 3.57583  1.87583  1.42417
assign (resid 24 and name HA) (resid 24 and name HN) 3.00886  1.30886  0.491145
assign (resid 45 and name HD#) (resid 37 and name HB2) 3.32109  1.62109  2.20891
assign (resid 37 and name HB2) (resid 37 and name HA) 3.03562  1.33562  2.24438
assign (resid 45 and name HD*) (resid 37 and name HB2) 3.61941  1.91941  3.16059
assign (resid 43 and name HA) (resid 43 and name HN) 2.59734  0.897345  0.902655
assign (resid 51 and name HB1) (resid 51 and name HE+) 3.61345  1.91345  1.38655
assign (resid 51 and name HB1) (resid 50 and name HA) 4.02053  2.32053  2.75947
assign (resid 51 and name HB1) (resid 51 and name HN) 3.33504  1.63504  2.19496
assign (resid 4 and name HB1) (resid 52 and name HN) 3.71739  2.01739  1.28261
assign (resid 4 and name HB1) (resid 5 and name HN) 3.66502  1.96502  1.33498
assign (resid 49 and name HB*) (resid 50 and name HN) 3.55745  1.85745  1.44255
assign (resid 49 and name HB*) (resid 51 and name HE+) 3.43339  1.73339  0.316612
!assign (resid 49 and name HB*) (resid 49 and name HA) 2.9504  1.2504  0.549596
assign (resid 32 and name HB+) (resid 49 and name HB*) 2.72716  1.02716  0.772842
assign (resid 13 and name HB) (resid 13 and name HN) 3.06478  1.36478  0.435221
assign (resid 9 and name HB#) (resid 10 and name HN) 3.34227  1.64227  0.407725
assign (resid 18 and name HB2) (resid 18 and name HN) 2.77797  1.07797  0.722029
assign (resid 7 and name HG1*) (resid 7 and name HN) 2.76716  1.06716  0.73284
assign (resid 18 and name HD*) (resid 18 and name HA) 3.85881  2.15881  1.14119
assign (resid 28 and name HD#) (resid 24 and name HE+) 3.61832  1.91832  1.38168
assign (resid 32 and name HB+) (resid 30 and name HN) 4.3535  2.6535  0.646502
assign (resid 32 and name HB+) (resid 50 and name HN) 3.32529  1.62529  0.42471
assign (resid 32 and name HB+) (resid 34 and name HN) 3.07798  1.37798  0.422022
assign (resid 32 and name HB+) (resid 51 and name HE+) 3.19147  1.49147  0.308527
assign (resid 32 and name HB+) (resid 49 and name HA) 3.3374  1.6374  0.412596
assign (resid 45 and name HD*) (resid 17 and name HN) 4.16748  2.46748  0.832523
!assign (resid 45 and name HD#) (resid 45 and name HD*) 2.50939  0.809393  0.990607
assign (resid 45 and name HD#) (resid 37 and name HA) 3.99021  2.29021  1.00979
assign (resid 45 and name HD#) (resid 17 and name HN) 4.36352  2.66352  0.636482
assign (resid 24 and name HA) (resid 24 and name HE+) 4.17238  2.47238  0.827622
assign (resid 51 and name HB1) (resid 52 and name HN) 4.51247  2.81247  2.26753
!assign (resid 48 and name HG1*) (resid 48 and name HB) 3.1547  1.4547  0.345298
assign (resid 11 and name HE*) (resid 11 and name HH) 3.30957  1.60957  0.440428
assign (resid 11 and name HE#) (resid 11 and name HH) 3.343  1.643  0.406996
assign (resid 53 and name HN) (resid 51 and name HN) 4.63899  2.93899  0.736007
assign (resid 52 and name HN) (resid 51 and name HN) 3.13279  1.43279  0.36721
assign (resid 50 and name HA) (resid 51 and name HN) 2.61749  0.917492  0.882508
assign (resid 53 and name HN) (resid 52 and name HN) 2.85355  1.15355  0.64645
assign (resid 50 and name HA) (resid 52 and name HN) 3.56508  1.86508  1.43492
assign (resid 51 and name HE+) (resid 6 and name HN) 3.41537  1.71537  0.334634
assign (resid 5 and name HA) (resid 6 and name HN) 2.54427  0.844271  0.955729
assign (resid 49 and name HA) (resid 50 and name HN) 2.69006  0.990062  0.809938
assign (resid 34 and name HN) (resid 50 and name HN) 3.49848  1.79848  0.25152
assign (resid 50 and name HA) (resid 50 and name HN) 3.42826  1.72826  0.32174
assign (resid 5 and name HN) (resid 6 and name HN) 4.28164  2.58164  0.718364
assign (resid 5 and name HA) (resid 5 and name HN) 3.1644  1.4644  0.335601
assign (resid 30 and name HN) (resid 31 and name HN) 2.61693  0.916928  0.883072
!assign (resid 11 and name HD#) (resid 11 and name HD*) 2.91309  1.21309  0.586914
!assign (resid 11 and name HE#) (resid 11 and name HE*) 2.71073  1.01073  0.78927
assign (resid 5 and name HA) (resid 6 and name HN) 2.81329  1.11329  0.686714
assign (resid 49 and name HA) (resid 50 and name HA) 5.26497  3.56497  0.
assign (resid 50 and name HA) (resid 5 and name HA) 3.58324  1.88324  1.41676
assign (resid 37 and name HB2) (resid 36 and name HA) 3.957  2.257  1.043
assign (resid 38 and name HB*) (resid 37 and name HA) 4.39246  2.69246  0.60754
assign (resid 18 and name HD*) (resid 19 and name HN) 4.33201  2.63201  0.667993
assign (resid 18 and name HD*) (resid 18 and name HN) 3.61327  1.91327  1.38673
! added in manually resid 7 HG#, resid 10 HN
assign (resid 7 and name HG2*) (resid 10 and name HN) 3.77207  2.07207  1.22793
! .
! added in manually
assign (resid 24 and name HE+) (resid 20 and name HD2#) 3.73093  2.03093  1.26907
! .
assign (resid 32 and name HB+) (resid 51 and name HB1) 4.15924  2.45924  2.62076
assign (resid 32 and name HB+) (resid 50 and name HA) 4.19495  2.49495  0.805054
assign (resid 45 and name HD*) (resid 37 and name HA) 4.37713  2.67713  0.622867
assign (resid 45 and name HD#) (resid 39 and name HA) 3.47141  1.77141  0.278591
assign (resid 18 and name HD*) (resid 17 and name HN) 4.67075  2.97075  0.70425
assign (resid 45 and name HD*) (resid 39 and name HA) 3.45014  1.75014  0.299858
assign (resid 40 and name HB2) (resid 42 and name HN) 3.7391  2.0391  1.2609
!assign (resid 11 and name HD#) (resid 11 and name HE#) 3.87971  2.17971  1.12029
assign (resid 21 and name HB*) (resid 11 and name HH) 3.93502  2.23502  1.06498
assign (resid 5 and name HA) (resid 51 and name HN) 4.07671  2.37671  0.923291
assign (resid 30 and name HN) (resid 28 and name HN) 4.29475  2.59475  0.705249
assign (resid 49 and name HA) (resid 34 and name HN) 4.47203  2.77203  0.52797
assign (resid 5 and name HA) (resid 51 and name HE+) 3.6513  1.9513  1.3487
assign (resid 36 and name HA) (resid 37 and name HA) 4.1292  2.4292  0.870799
!assign (resid 11 and name HE#) (resid 11 and name HD*) 3.78089  2.08089  1.21911
assign (resid 15 and name HB*) (resid 11 and name HH) 4.08007  2.38007  0.919935
assign (resid 21 and name HB*) (resid 21 and name HE2*) 4.14874  2.44874  0.851261
assign (resid 18 and name HB2) (resid 17 and name HN) 4.87997  3.17997  0.495026
assign (resid 18 and name HN) (resid 17 and name HN) 3.11564  1.41564  0.384357
assign (resid 43 and name HA) (resid 43 and name HE) 4.59308  2.89308  0.406921
! PROBABLE ASSIGNMENTS: 
assign ((resid 18 and name HB1))
        ((resid 18 and name HA)) 
        2.90846  1.20846  1.09154
assign ((resid 18 and name HA))
        ((resid 19 and name HN)) 
        2.53572  0.835716  1.46428
assign ((resid 30 and name HG#)
        OR (resid 18 and name HD#))
        ((resid 30 and name HA)
        OR (resid 18 and name HA)) 
        2.56384  0.863842  1.43616
assign ((resid 18 and name HA))
        ((resid 18 and name HN)) 
        3.26181  1.56181  0.988188
assign ((resid 30 and name HA))
        ((resid 31 and name HN)) 
        3.42343  1.72343  0.826569
assign ((resid 30 and name HB1)
        OR (resid 17 and name HB1))
        ((resid 30 and name HA)
        OR (resid 18 and name HA)) 
        2.87574  1.17574  1.12426
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 30 and name HA)
        OR (resid 30 and name HA)) 
        2.51568  0.815682  1.48432
assign ((resid 29 and name HB1)
        OR (resid 25 and name HB2))
        ((resid 29 and name HA)
        OR (resid 29 and name HA)) 
        2.54971  0.849712  1.45029
assign ((resid 29 and name HA))
        ((resid 29 and name HN)) 
        3.12537  1.42537  0.87463
assign ((resid 12 and name HA))
        ((resid 13 and name HN)) 
        2.49122  0.791218  0.708782
assign ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 14 and name HB#))
        ((resid 12 and name HA)
        OR (resid 12 and name HA)
        OR (resid 12 and name HA)) 
        3.74762  2.04762  1.75238
assign ((resid 12 and name HB*))
        ((resid 12 and name HA)) 
        2.57922  0.879219  1.42078
assign ((resid 12 and name HB#)
        OR (resid 12 and name HG*))
        ((resid 12 and name HA)
        OR (resid 12 and name HA)) 
        2.72621  1.02621  1.27379
assign ((resid 12 and name HG#))
        ((resid 12 and name HA)) 
        3.487  1.787  0.763002
assign ((resid 13 and name HG#)
        OR (resid 13 and name HG*))
        ((resid 12 and name HA)
        OR (resid 12 and name HA)) 
        3.2907  1.5907  0.959297
assign ((resid 52 and name HA))
        ((resid 52 and name HN)) 
        3.13859  1.43859  0.861413
assign ((resid 52 and name HA))
        ((resid 53 and name HN)) 
        2.84338  1.14338  1.15662
assign ((resid 12 and name HD#)
        OR (resid 52 and name HB1))
        ((resid 12 and name HA)
        OR (resid 52 and name HA)) 
        2.69796  0.997959  3.08204
assign ((resid 4 and name HB1))
        ((resid 52 and name HA)) 
        3.8523  2.1523  1.6477
assign ((resid 10 and name HA)
        OR (resid 8 and name HA))
        ((resid 9 and name HN)
        OR (resid 9 and name HN)) 
        2.47839  0.778392  0.721608
assign ((resid 8 and name HA))
        ((resid 8 and name HD+)) 
        2.88115  1.18115  1.11885
assign ((resid 8 and name HA))
        ((resid 8 and name HN)) 
        3.34962  1.64962  0.900378
assign ((resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 8 and name HA)
        OR (resid 8 and name HA)) 
        2.71598  1.01598  1.28402
assign ((resid 42 and name HA))
        ((resid 43 and name HN)) 
        3.29417  1.59417  0.955828
assign ((resid 42 and name HA))
        ((resid 42 and name HN)) 
        2.90806  1.20806  1.09194
assign ((resid 43 and name HB+)
        OR (resid 42 and name HB#)
        OR (resid 9 and name HB#)
        OR (resid 9 and name HB#))
        ((resid 42 and name HA)
        OR (resid 42 and name HA)
        OR (resid 10 and name HA)
        OR (resid 8 and name HA)) 
        2.4736  0.773597  0.726403
assign ((resid 42 and name HB*)
        OR (resid 6 and name HB*))
        ((resid 42 and name HA)
        OR (resid 8 and name HA)) 
        2.94767  1.24767  1.05233
assign ((resid 42 and name HD#))
        ((resid 42 and name HA)) 
        3.09877  1.39877  0.901235
assign ((resid 42 and name HG#)
        OR (resid 33 and name HG#))
        ((resid 42 and name HA)
        OR (resid 52 and name HA)) 
        2.7603  1.0603  1.2397
assign ((resid 42 and name HG*))
        ((resid 42 and name HA)) 
        2.89372  1.19372  1.10628
assign ((resid 11 and name HA)
        OR (resid 9 and name HA)
        OR (resid 9 and name HA)
        OR (resid 41 and name HA)
        OR (resid 51 and name HA))
        ((resid 10 and name HA)
        OR (resid 10 and name HA)
        OR (resid 8 and name HA)
        OR (resid 42 and name HA)
        OR (resid 52 and name HA)) 
        3.17055  1.47055  0.829451
assign ((resid 10 and name HA)
        OR (resid 42 and name HA))
        ((resid 10 and name HD2#)
        OR (resid 44 and name HD2#)) 
        4.32627  2.62627  1.17373
assign ((resid 10 and name HB*)
        OR (resid 8 and name HB#)
        OR (resid 52 and name HB2))
        ((resid 10 and name HA)
        OR (resid 8 and name HA)
        OR (resid 52 and name HA)) 
        2.25665  0.556652  0.743348
assign ((resid 10 and name HA)
        OR (resid 8 and name HA))
        ((resid 10 and name HN)
        OR (resid 10 and name HN)) 
        2.41669  0.716693  0.783307
assign ((resid 10 and name HA))
        ((resid 11 and name HN)) 
        3.03245  1.33245  0.967551
assign ((resid 1 and name HA))
        ((resid 2 and name HN)) 
        2.65159  0.951589  1.34841
assign ((resid 48 and name HA)
        OR (resid 1 and name HA)
        OR (resid 1 and name HA))
        ((resid 49 and name HN)
        OR (resid 3 and name HN)
        OR (resid 2 and name HN)) 
        2.53972  0.839717  1.46028
assign ((resid 48 and name HA)
        OR (resid 48 and name HA))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        3.10894  1.40894  0.89106
assign ((resid 7 and name HA))
        ((resid 48 and name HA)) 
        2.61546  0.915465  1.38454
assign ((resid 48 and name HG1#)
        OR (resid 3 and name HD+))
        ((resid 48 and name HA)
        OR (resid 3 and name HA)) 
        3.08684  1.38684  0.913156
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 48 and name HA)
        OR (resid 48 and name HA)) 
        2.57677  0.876765  1.42323
assign ((resid 48 and name HA))
        ((resid 48 and name HN)) 
        3.42491  1.72491  0.825088
assign ((resid 3 and name HA)
        OR (resid 3 and name HA)
        OR (resid 48 and name HA))
        ((resid 3 and name HN)
        OR (resid 2 and name HN)
        OR (resid 49 and name HN)) 
        2.36962  0.669617  0.830383
assign ((resid 46 and name HB*)
        OR (resid 6 and name HB#)
        OR (resid 3 and name HB#))
        ((resid 48 and name HA)
        OR (resid 48 and name HA)
        OR (resid 3 and name HA)) 
        2.87327  1.17327  1.12673
assign ((resid 53 and name HB*)
        OR (resid 5 and name HB+)
        OR (resid 3 and name HB*))
        ((resid 53 and name HA)
        OR (resid 48 and name HA)
        OR (resid 3 and name HA)) 
        2.60163  0.90163  1.39837
assign ((resid 3 and name HG+)
        OR (resid 33 and name HB#)
        OR (resid 33 and name HG#))
        ((resid 3 and name HA)
        OR (resid 53 and name HA)
        OR (resid 53 and name HA)) 
        2.85407  1.15407  1.14593
assign ((resid 22 and name HA))
        ((resid 26 and name HN)) 
        4.30754  2.60754  1.19246
assign ((resid 22 and name HA))
        ((resid 25 and name HN)) 
        3.71936  2.01936  1.78064
assign ((resid 22 and name HA))
        ((resid 11 and name HH)) 
        3.29596  1.59596  0.954036
assign ((resid 22 and name HA))
        ((resid 23 and name HN)) 
        3.58647  1.88647  1.91353
assign ((resid 25 and name HB2)
        OR (resid 22 and name HB#))
        ((resid 22 and name HA)
        OR (resid 22 and name HA)) 
        2.46542  0.76542  0.73458
assign ((resid 48 and name HB))
        ((resid 48 and name HA)) 
        2.92804  1.22804  1.07196
assign ((resid 53 and name HG#)
        OR (resid 33 and name HD*)
        OR (resid 26 and name HB1))
        ((resid 53 and name HA)
        OR (resid 53 and name HA)
        OR (resid 22 and name HA)) 
        3.31006  1.61006  0.939941
assign ((resid 53 and name HA))
        ((resid 54 and name HN)) 
        2.51642  0.816424  1.48358
assign ((resid 53 and name HA))
        ((resid 54 and name HD+)) 
        3.71585  2.01585  1.78415
assign ((resid 53 and name HB#))
        ((resid 53 and name HA)) 
        2.93814  1.23814  1.06186
assign ((resid 36 and name HA))
        ((resid 37 and name HN)) 
        2.50854  0.80854  1.49146
assign ((resid 36 and name HA))
        ((resid 36 and name HN)) 
        3.46614  1.76614  0.78386
assign ((resid 36 and name HB*))
        ((resid 36 and name HA)) 
        2.99034  1.29034  1.00966
assign ((resid 36 and name HB#))
        ((resid 36 and name HA)) 
        2.32796  0.627962  0.872038
assign ((resid 17 and name HA))
        ((resid 17 and name HN)) 
        2.96664  1.26664  1.03336
assign ((resid 51 and name HA)
        OR (resid 17 and name HA))
        ((resid 51 and name HD+)
        OR (resid 18 and name HN)) 
        2.74042  1.04042  1.25958
assign ((resid 41 and name HA))
        ((resid 41 and name HN)) 
        2.91174  1.21174  1.08826
assign ((resid 41 and name HB*))
        ((resid 41 and name HA)) 
        2.26869  0.568694  0.731306
assign ((resid 45 and name HD*))
        ((resid 45 and name HA)) 
        3.0006  1.3006  0.9994
assign ((resid 45 and name HD#))
        ((resid 45 and name HA)) 
        2.83827  1.13827  1.16173
assign ((resid 9 and name HA))
        ((resid 9 and name HN)) 
        3.00483  1.30483  0.995169
assign ((resid 34 and name HB#)
        OR (resid 45 and name HA))
        ((resid 35 and name HN)
        OR (resid 44 and name HN)) 
        3.00796  1.30796  0.992042
assign ((resid 45 and name HA))
        ((resid 45 and name HN)) 
        3.07652  1.37652  0.923482
assign ((resid 11 and name HA)
        OR (resid 9 and name HA))
        ((resid 10 and name HN)
        OR (resid 10 and name HN)) 
        2.39494  0.694942  0.805058
assign ((resid 34 and name HB#)
        OR (resid 11 and name HA)
        OR (resid 9 and name HA))
        ((resid 23 and name HD2#)
        OR (resid 11 and name HN)
        OR (resid 11 and name HN)) 
        2.92393  1.22393  1.07607
assign ((resid 54 and name HA))
        ((resid 54 and name HD+)) 
        2.82483  1.12483  1.17517
assign ((resid 34 and name HB*))
        ((resid 34 and name HB#)) 
        2.68915  0.989151  1.31085
assign ((resid 50 and name HB#)
        OR (resid 38 and name HB#)
        OR (resid 54 and name HB#))
        ((resid 51 and name HA)
        OR (resid 45 and name HA)
        OR (resid 54 and name HA)) 
        2.56176  0.861764  1.43824
assign ((resid 23 and name HB1)
        OR (resid 11 and name HB*)
        OR (resid 11 and name HB*)
        OR (resid 8 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 34 and name HB#)
        OR (resid 11 and name HA)
        OR (resid 9 and name HA)
        OR (resid 11 and name HA)
        OR (resid 9 and name HA)) 
        2.52852  0.828525  1.47148
assign ((resid 7 and name HG2*))
        ((resid 9 and name HA)) 
        2.85625  1.15625  1.14375
assign ((resid 12 and name HD#)
        OR (resid 52 and name HB1))
        ((resid 11 and name HA)
        OR (resid 54 and name HA)) 
        2.51591  0.81591  1.48409
assign ((resid 53 and name HB*)
        OR (resid 53 and name HB*)
        OR (resid 12 and name HB#)
        OR (resid 12 and name HG*))
        ((resid 34 and name HB#)
        OR (resid 54 and name HA)
        OR (resid 11 and name HA)
        OR (resid 11 and name HA)) 
        3.09742  1.39742  0.902582
assign ((resid 33 and name HA)
        OR (resid 34 and name HB#))
        ((resid 34 and name HN)
        OR (resid 34 and name HN)) 
        3.00851  1.30851  0.991494
assign ((resid 33 and name HG*)
        OR (resid 33 and name HG*)
        OR (resid 45 and name HB*)
        OR (resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 33 and name HA)
        OR (resid 34 and name HB#)
        OR (resid 14 and name HA)
        OR (resid 45 and name HA)
        OR (resid 45 and name HA)) 
        2.17968  0.479677  0.820323
assign ((resid 33 and name HB#)
        OR (resid 33 and name HB#)
        OR (resid 33 and name HG#)
        OR (resid 33 and name HG#))
        ((resid 33 and name HA)
        OR (resid 34 and name HB#)
        OR (resid 33 and name HA)
        OR (resid 34 and name HB#)) 
        2.34715  0.64715  0.85285
assign ((resid 45 and name HA))
        ((resid 46 and name HN)) 
        2.4426  0.742598  0.757402
assign ((resid 54 and name HA))
        ((resid 54 and name HN)) 
        2.89051  1.19051  1.10949
assign ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 23 and name HA)
        OR (resid 14 and name HB#))
        ((resid 14 and name HA)
        OR (resid 14 and name HA)
        OR (resid 34 and name HB#)
        OR (resid 14 and name HA)) 
        2.321  0.621002  0.878998
assign ((resid 13 and name HG*)
        OR (resid 13 and name HG*)
        OR (resid 13 and name HG*)
        OR (resid 27 and name HG+)
        OR (resid 27 and name HG+))
        ((resid 14 and name HA)
        OR (resid 11 and name HA)
        OR (resid 45 and name HA)
        OR (resid 33 and name HA)
        OR (resid 34 and name HB#)) 
        3.09858  1.39858  0.901419
assign ((resid 11 and name HA)
        OR (resid 54 and name HA))
        ((resid 8 and name HE+)
        OR (resid 54 and name HE+)) 
        2.76841  1.06841  1.23159
!
! manually added 26-8
! 12/15/97
!
assign ((resid 26 and name HA)
        OR (resid 11 and name HA)
        OR (resid 9 and name HA))
        ((resid 8 and name HD+)
        OR (resid 8 and name HD+)
        OR (resid 8 and name HD+)) 
        2.94797  1.24797  1.05203
assign ((resid 26 and name HA))
        ((resid 30 and name HN)) 
        3.25518  1.55518  0.994815
assign ((resid 19 and name HA))
        ((resid 20 and name HN)) 
        2.41138  0.711384  0.788616
assign ((resid 19 and name HA))
        ((resid 19 and name HN)) 
        2.9546  1.2546  1.0454
assign ((resid 19 and name HB+))
        ((resid 19 and name HA)) 
        2.44231  0.742308  0.757692
assign ((resid 32 and name HA)
        OR (resid 19 and name HA))
        ((resid 51 and name HD+)
        OR (resid 18 and name HN)) 
        2.90159  1.20159  1.09841
assign ((resid 32 and name HA))
        ((resid 51 and name HE+)) 
        3.22778  1.52778  0.772216
assign ((resid 32 and name HB+)
        OR (resid 32 and name HB+))
        ((resid 32 and name HA)
        OR (resid 26 and name HA)) 
        2.34421  0.644207  0.855793
assign ((resid 27 and name HA)
        OR (resid 27 and name HA)
        OR (resid 32 and name HA))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)
        OR (resid 32 and name HN)) 
        2.43043  0.730427  0.769573
assign ((resid 27 and name HG+)
        OR (resid 27 and name HG+))
        ((resid 28 and name HA)
        OR (resid 27 and name HA)) 
        2.82615  1.12615  1.17385
assign ((resid 28 and name HA)
        OR (resid 27 and name HA)
        OR (resid 32 and name HA))
        ((resid 31 and name HN)
        OR (resid 31 and name HN)
        OR (resid 31 and name HN)) 
        3.35047  1.65047  0.899531
assign ((resid 28 and name HA)
        OR (resid 27 and name HA))
        ((resid 29 and name HN)
        OR (resid 29 and name HN)) 
        3.4028  1.7028  0.847196
assign ((resid 28 and name HA)
        OR (resid 27 and name HA)
        OR (resid 27 and name HA)
        OR (resid 32 and name HA))
        ((resid 28 and name HN)
        OR (resid 28 and name HN)
        OR (resid 33 and name HN)
        OR (resid 33 and name HN)) 
        2.66704  0.967043  1.33296
assign ((resid 28 and name HB#)
        OR (resid 28 and name HB#)
        OR (resid 27 and name HD#)
        OR (resid 27 and name HB1)
        OR (resid 27 and name HB1))
        ((resid 28 and name HA)
        OR (resid 27 and name HA)
        OR (resid 27 and name HA)
        OR (resid 28 and name HA)
        OR (resid 27 and name HA)) 
        2.26317  0.563167  0.736833
assign ((resid 28 and name HB*)
        OR (resid 28 and name HB*))
        ((resid 28 and name HA)
        OR (resid 27 and name HA)) 
        2.38434  0.684338  0.815662
assign ((resid 28 and name HD#))
        ((resid 28 and name HA)) 
        2.73442  1.03442  1.26558
assign ((resid 15 and name HG#))
        ((resid 15 and name HA)) 
        2.85538  1.15538  1.14462
assign ((resid 15 and name HA)
        OR (resid 15 and name HA))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        3.03759  1.33759  0.962407
assign ((resid 15 and name HA))
        ((resid 17 and name HN)) 
        3.7407  2.0407  1.7593
assign ((resid 15 and name HB#))
        ((resid 15 and name HA)) 
        2.78648  1.08648  1.21352
assign ((resid 35 and name HA#))
        ((resid 50 and name HN)) 
        3.74831  2.04831  1.75169
assign ((resid 35 and name HA#))
        ((resid 49 and name HA)) 
        2.8887  1.1887  1.1113
assign ((resid 7 and name HA)
        OR (resid 34 and name HB*))
        ((resid 48 and name HN)
        OR (resid 35 and name HN)) 
        2.75758  1.05758  1.24242
assign ((resid 7 and name HA))
        ((resid 7 and name HN)) 
        3.22787  1.52787  0.772134
assign ((resid 7 and name HG1*))
        ((resid 7 and name HA)) 
        2.8531  1.1531  1.1469
assign ((resid 7 and name HG2*))
        ((resid 7 and name HA)) 
        2.95826  1.25826  1.04174
assign ((resid 7 and name HA)
        OR (resid 7 and name HA))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        2.64366  0.943658  1.35634
assign ((resid 7 and name HA))
        ((resid 49 and name HN)) 
        3.30445  1.60445  0.945553
assign ((resid 48 and name HG1*))
        ((resid 7 and name HA)) 
        3.27023  1.57023  0.979769
assign ((resid 48 and name HG2+))
        ((resid 7 and name HA)) 
        2.92709  1.22709  1.07291
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 7 and name HA)
        OR (resid 7 and name HA)) 
        3.01367  1.31367  0.986326
assign ((resid 24 and name HA))
        ((resid 25 and name HN)) 
        3.66185  1.96185  1.83815
assign ((resid 27 and name HD*))
        ((resid 24 and name HA)) 
        3.45564  1.75564  0.794363
assign ((resid 24 and name HA))
        ((resid 24 and name HD+)) 
        2.15745  0.457452  0.842548
assign ((resid 24 and name HB#))
        ((resid 24 and name HA)) 
        2.99987  1.29987  1.00013
assign ((resid 24 and name HB*))
        ((resid 24 and name HA)) 
        2.6763  0.976296  1.3237
assign ((resid 28 and name HB#)
        OR (resid 27 and name HD#)
        OR (resid 27 and name HB1))
        ((resid 24 and name HA)
        OR (resid 24 and name HA)
        OR (resid 24 and name HA)) 
        2.94694  1.24694  1.05306
assign ((resid 21 and name HB*))
        ((resid 21 and name HA)) 
        2.94586  1.24586  1.05414
assign ((resid 21 and name HA))
        ((resid 24 and name HD+)) 
        3.53015  1.83015  1.96985
assign ((resid 23 and name HA)
        OR (resid 21 and name HA))
        ((resid 25 and name HN)
        OR (resid 25 and name HN)) 
        3.74924  2.04924  1.75076
assign ((resid 21 and name HA))
        ((resid 21 and name HN)) 
        2.90124  1.20124  1.09876
assign ((resid 24 and name HB#)
        OR (resid 24 and name HB#))
        ((resid 23 and name HA)
        OR (resid 21 and name HA)) 
        2.79955  1.09955  1.20045
assign ((resid 24 and name HB*)
        OR (resid 24 and name HB*))
        ((resid 23 and name HA)
        OR (resid 21 and name HA)) 
        3.23164  1.53164  0.768364
assign ((resid 23 and name HB2))
        ((resid 23 and name HA)) 
        2.46608  0.766076  0.733924
assign ((resid 23 and name HB1)
        OR (resid 11 and name HB*))
        ((resid 23 and name HA)
        OR (resid 13 and name HA)) 
        2.84537  1.14537  2.93463
assign ((resid 23 and name HA))
        ((resid 26 and name HN)) 
        3.81215  2.11215  1.68785
assign ((resid 23 and name HA))
        ((resid 35 and name HN)) 
        2.71571  1.01571  1.28429
assign ((resid 26 and name HB2))
        ((resid 23 and name HA)) 
        3.00389  1.30389  0.996107
assign ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 14 and name HB#))
        ((resid 13 and name HN)
        OR (resid 13 and name HN)
        OR (resid 13 and name HN)) 
        2.91721  1.21721  1.08279
assign ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 14 and name HB#))
        ((resid 15 and name HN)
        OR (resid 15 and name HN)
        OR (resid 15 and name HN)) 
        2.95911  1.25911  1.04089
assign ((resid 13 and name HB)
        OR (resid 13 and name HB)
        OR (resid 13 and name HB))
        ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 14 and name HB#)) 
        2.70349  1.00349  1.29651
assign ((resid 13 and name HG*)
        OR (resid 13 and name HG*)
        OR (resid 13 and name HG*))
        ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 14 and name HB#)) 
        2.5542  0.854203  1.4458
assign ((resid 45 and name HD*))
        ((resid 13 and name HA)) 
        4.17782  2.47782  1.32218
assign ((resid 37 and name HB2))
        ((resid 37 and name HN)) 
        2.9054  1.2054  1.0946
assign ((resid 37 and name HB1)
        OR (resid 22 and name HB*))
        ((resid 37 and name HB2)
        OR (resid 37 and name HB2)) 
        2.31063  0.610629  0.889371
assign ((resid 43 and name HA))
        ((resid 44 and name HN)) 
        3.11298  1.41298  0.887025
assign ((resid 43 and name HA))
        ((resid 39 and name HD+)) 
        2.97504  1.27504  1.02496
assign ((resid 39 and name HB+))
        ((resid 43 and name HA)) 
        2.66569  0.965693  1.33431
assign ((resid 43 and name HB+)
        OR (resid 42 and name HB#))
        ((resid 43 and name HA)
        OR (resid 43 and name HA)) 
        2.58517  0.885174  1.41483
assign ((resid 43 and name HA))
        ((resid 42 and name HN)) 
        3.70546  2.00546  1.79454
assign ((resid 52 and name HB1))
        ((resid 53 and name HN)) 
        3.20285  1.50285  2.57715
assign ((resid 52 and name HB1))
        ((resid 52 and name HN)) 
        3.21785  1.51785  2.56215
assign ((resid 52 and name HB2)
        OR (resid 50 and name HB#))
        ((resid 52 and name HB1)
        OR (resid 52 and name HB1)) 
        2.23946  0.539457  0.760543
assign ((resid 4 and name HB1))
        ((resid 52 and name HB1)) 
        4.06799  2.36799  1.43201
assign ((resid 12 and name HD*))
        ((resid 12 and name HD#)) 
        2.29702  0.597022  0.702978
assign ((resid 31 and name HB*))
        ((resid 31 and name HN)) 
        3.4387  1.7387  0.811302
assign ((resid 51 and name HB1))
        ((resid 51 and name HD+)) 
        2.62826  0.928259  3.15174
assign ((resid 51 and name HB1))
        ((resid 51 and name HA)) 
        2.88575  1.18575  2.89425
assign ((resid 51 and name HB2))
        ((resid 51 and name HB1)) 
        2.23333  0.533327  0.766673
assign ((resid 40 and name HB1))
        ((resid 40 and name HB2)) 
        2.35476  0.654764  0.845236
assign ((resid 40 and name HB2))
        ((resid 41 and name HN)) 
        2.68899  0.988992  3.09101
assign ((resid 4 and name HB1))
        ((resid 4 and name HN)) 
        3.13611  1.43611  2.64389
assign ((resid 16 and name HB2)
        OR (resid 16 and name HB2))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        2.71172  1.01172  1.28828
assign ((resid 16 and name HB2))
        ((resid 17 and name HN)) 
        3.54111  1.84111  1.95889
assign ((resid 45 and name HD#))
        ((resid 16 and name HB2)) 
        3.57667  1.87667  3.70333
assign ((resid 45 and name HD*))
        ((resid 16 and name HB2)) 
        3.22178  1.52178  2.55822
assign ((resid 24 and name HB#))
        ((resid 24 and name HN)) 
        2.90857  1.20857  1.09143
assign ((resid 24 and name HB#))
        ((resid 24 and name HD+)) 
        2.86753  1.16753  1.13247
assign ((resid 24 and name HB#))
        ((resid 25 and name HN)) 
        2.86839  1.16839  1.13161
assign ((resid 25 and name HB1)
        OR (resid 16 and name HB2))
        ((resid 11 and name HE#)
        OR (resid 11 and name HE#)) 
        3.55184  1.85184  3.72816
assign ((resid 25 and name HB1)
        OR (resid 24 and name HB#)
        OR (resid 16 and name HB2))
        ((resid 11 and name HH)
        OR (resid 11 and name HH)
        OR (resid 11 and name HH)) 
        3.38222  1.68222  2.64778
assign ((resid 25 and name HB1)
        OR (resid 24 and name HB#))
        ((resid 26 and name HN)
        OR (resid 26 and name HN)) 
        3.66761  1.96761  3.61239
assign ((resid 25 and name HB1)
        OR (resid 24 and name HB#))
        ((resid 8 and name HE+)
        OR (resid 24 and name HE+)) 
        2.67974  0.979741  3.10026
! 
! manually added 24-11
! 12/14/97
!
assign ((resid 24 and name HB#)
        OR (resid 25 and name HB1))
        ((resid 11 and name HE*) 
        OR (resid 11 and name HE*)) 
        3.46053  1.76053  0.789472
assign ((resid 54 and name HB#))
        ((resid 54 and name HN)) 
        3.13933  1.43933  0.860674
assign ((resid 50 and name HB#)
        OR (resid 38 and name HB#))
        ((resid 50 and name HN)
        OR (resid 39 and name HN)) 
        2.75391  1.05391  1.24609
assign ((resid 24 and name HB*)
        OR (resid 38 and name HB#))
        ((resid 24 and name HD+)
        OR (resid 38 and name HD+)) 
        2.49459  0.794589  0.705411
assign ((resid 38 and name HB#))
        ((resid 38 and name HD+)) 
        2.66365  0.963646  1.33635
assign ((resid 24 and name HB*))
        ((resid 24 and name HN)) 
        2.81176  1.11176  1.18824
assign ((resid 50 and name HB#))
        ((resid 50 and name HA)) 
        2.99525  1.29525  1.00475
assign ((resid 52 and name HB2)
        OR (resid 50 and name HB#))
        ((resid 52 and name HN)
        OR (resid 52 and name HN)) 
        2.86451  1.16451  1.13549
assign ((resid 52 and name HB2)
        OR (resid 50 and name HB#))
        ((resid 53 and name HN)
        OR (resid 53 and name HN)) 
        3.03995  1.33995  0.960053
assign ((resid 10 and name HB*)
        OR (resid 8 and name HB#))
        ((resid 10 and name HN)
        OR (resid 10 and name HN)) 
        3.27193  1.57193  0.978067
assign ((resid 8 and name HB#)
        OR (resid 8 and name HB#))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        2.93515  1.23515  1.06485
assign ((resid 10 and name HB*))
        ((resid 10 and name HD2*)) 
        3.63063  1.93063  1.86937
assign ((resid 10 and name HB*)
        OR (resid 8 and name HB#))
        ((resid 8 and name HD+)
        OR (resid 8 and name HD+)) 
        2.72526  1.02526  1.27474
assign ((resid 23 and name HB2))
        ((resid 23 and name HN)) 
        2.68522  0.985215  1.31478
assign ((resid 4 and name HB2))
        ((resid 4 and name HN)) 
        2.82809  1.12809  1.17191
assign ((resid 10 and name HB#))
        ((resid 10 and name HA)) 
        2.64627  0.946269  1.35373
assign ((resid 10 and name HB#))
        ((resid 10 and name HD2*)) 
        2.57339  0.873391  1.42661
assign ((resid 29 and name HB2))
        ((resid 29 and name HN)) 
        2.97082  1.27082  2.80918
assign ((resid 29 and name HB2)
        OR (resid 10 and name HB#))
        ((resid 8 and name HE+)
        OR (resid 8 and name HE+)) 
        2.65774  0.957737  3.12226
assign ((resid 43 and name HD+))
        ((resid 43 and name HA)) 
        2.64229  0.942288  1.35771
assign ((resid 45 and name HD*))
        ((resid 16 and name HB1)) 
        3.13385  1.43385  0.86615
assign ((resid 16 and name HB1)
        OR (resid 16 and name HB1))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        3.03451  1.33451  2.74549
assign ((resid 45 and name HD#))
        ((resid 16 and name HB1)) 
        3.40815  1.70815  0.841852
assign ((resid 44 and name HB2))
        ((resid 44 and name HN)) 
        2.75837  1.05837  1.24163
assign ((resid 44 and name HB2))
        ((resid 45 and name HN)) 
        3.31064  1.61064  2.71936
assign ((resid 44 and name HB2))
        ((resid 44 and name HD2*)) 
        2.74999  1.04999  1.25001
assign ((resid 44 and name HB2))
        ((resid 44 and name HD2#)) 
        3.18667  1.48667  0.813327
assign ((resid 51 and name HB2))
        ((resid 51 and name HN)) 
        3.08792  1.38792  0.91208
assign ((resid 51 and name HB2))
        ((resid 51 and name HD+)) 
        2.62527  0.925269  1.37473
assign ((resid 26 and name HB2))
        ((resid 26 and name HN)) 
        2.80055  1.10055  1.19945
assign ((resid 26 and name HB2))
        ((resid 27 and name HN)) 
        3.17409  1.47409  2.60591
assign ((resid 32 and name HB+)
        OR (resid 32 and name HB+))
        ((resid 26 and name HB2)
        OR (resid 51 and name HB2)) 
        2.97109  1.27109  1.02891
assign ((resid 25 and name HB2)
        OR (resid 11 and name HB#))
        ((resid 8 and name HD+)
        OR (resid 8 and name HD+)) 
        2.69824  0.998238  1.30176
assign ((resid 39 and name HB+)
        OR (resid 26 and name HB2))
        ((resid 39 and name HN)
        OR (resid 50 and name HN)) 
        2.60068  0.900676  1.39932
assign ((resid 25 and name HB2)
        OR (resid 22 and name HB#))
        ((resid 22 and name HN)
        OR (resid 22 and name HN)) 
        2.79934  1.09934  1.20066
assign ((resid 25 and name HB2)
        OR (resid 11 and name HB#)
        OR (resid 22 and name HB#))
        ((resid 11 and name HH)
        OR (resid 11 and name HH)
        OR (resid 11 and name HH)) 
        3.10613  1.40613  0.893875
assign ((resid 11 and name HB#))
        ((resid 11 and name HN)) 
        2.85328  1.15328  1.14672
assign ((resid 40 and name HB1)
        OR (resid 29 and name HB1)
        OR (resid 25 and name HB2))
        ((resid 41 and name HN)
        OR (resid 29 and name HN)
        OR (resid 29 and name HN)) 
        2.55856  0.858557  1.44144
assign ((resid 20 and name HB*))
        ((resid 20 and name HN)) 
        3.33792  1.63792  0.91208
assign ((resid 20 and name HB*))
        ((resid 20 and name HD2#)) 
        3.02872  1.32872  0.971277
assign ((resid 2 and name HB#))
        ((resid 2 and name HN)) 
        2.93511  1.23511  1.06489
assign ((resid 11 and name HB*)
        OR (resid 11 and name HB*)
        OR (resid 8 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)
        OR (resid 8 and name HN)
        OR (resid 47 and name HN)) 
        2.7873  1.0873  1.2127
assign ((resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 8 and name HD+)
        OR (resid 8 and name HD+)) 
        2.43147  0.73147  0.76853
assign ((resid 11 and name HB*))
        ((resid 12 and name HD#)) 
        3.47825  1.77825  0.771754
assign ((resid 23 and name HB1)
        OR (resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 23 and name HD2#)
        OR (resid 11 and name HN)
        OR (resid 11 and name HN)) 
        2.55002  0.850025  1.44998
assign ((resid 23 and name HB1)
        OR (resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 23 and name HD2#)
        OR (resid 11 and name HN)
        OR (resid 11 and name HN)) 
        2.83425  1.13425  1.16575
assign ((resid 23 and name HB1))
        ((resid 24 and name HN)) 
        2.95906  1.25906  1.04094
assign ((resid 23 and name HB1))
        ((resid 23 and name HN)) 
        2.76933  1.06933  3.01067
assign ((resid 54 and name HB*)
        OR (resid 15 and name HE#)
        OR (resid 15 and name HE#))
        ((resid 54 and name HN)
        OR (resid 15 and name HN)
        OR (resid 16 and name HN)) 
        2.90318  1.20318  1.09682
assign ((resid 54 and name HB*))
        ((resid 54 and name HD+)) 
        2.68302  0.983016  1.31698
assign ((resid 38 and name HB*))
        ((resid 38 and name HN)) 
        3.0454  1.3454  0.954601
assign ((resid 38 and name HB*))
        ((resid 39 and name HN)) 
        3.05813  1.35813  0.941871
assign ((resid 38 and name HB*))
        ((resid 38 and name HD+)) 
        2.81522  1.11522  1.18478
assign ((resid 49 and name HB#))
        ((resid 51 and name HE+)) 
        3.07044  1.37044  0.929564
assign ((resid 49 and name HB#))
        ((resid 49 and name HA)) 
        3.10819  1.40819  0.891812
assign ((resid 44 and name HB1))
        ((resid 44 and name HN)) 
        3.04818  1.34818  2.73182
assign ((resid 44 and name HB1))
        ((resid 45 and name HN)) 
        3.16825  1.46825  0.831749
assign ((resid 44 and name HB1)
        OR (resid 49 and name HB#))
        ((resid 44 and name HD2*)
        OR (resid 33 and name HN)) 
        3.20463  1.50463  2.57537
assign ((resid 44 and name HB1))
        ((resid 44 and name HD2#)) 
        3.91481  2.21481  3.36519
assign ((resid 32 and name HB+))
        ((resid 49 and name HB#)) 
        2.96438  1.26438  1.03562
assign ((resid 21 and name HG*)
        OR (resid 49 and name HB#))
        ((resid 21 and name HE2*)
        OR (resid 34 and name HN)) 
        2.87483  1.17483  1.12517
assign ((resid 21 and name HG*))
        ((resid 11 and name HH)) 
        3.12713  1.42713  0.872869
assign ((resid 2 and name HB*)
        OR (resid 2 and name HB*)
        OR (resid 49 and name HB#))
        ((resid 3 and name HN)
        OR (resid 2 and name HN)
        OR (resid 49 and name HN)) 
        2.61638  0.916383  1.38362
assign ((resid 47 and name HB1)
        OR (resid 47 and name HB1))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        2.97809  1.27809  2.80191
assign ((resid 1 and name HB#)
        OR (resid 1 and name HB#)
        OR (resid 37 and name HB1)
        OR (resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 3 and name HN)
        OR (resid 2 and name HN)
        OR (resid 46 and name HN)
        OR (resid 22 and name HN)
        OR (resid 49 and name HN)) 
        2.59286  0.892861  1.40714
assign ((resid 22 and name HB*))
        ((resid 23 and name HN)) 
        3.14685  1.44685  0.853154
assign ((resid 37 and name HB1)
        OR (resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 37 and name HA)
        OR (resid 37 and name HA)
        OR (resid 37 and name HA)) 
        2.74405  1.04405  1.25595
assign ((resid 33 and name HD#))
        ((resid 33 and name HE)) 
        3.4656  1.7656  0.784397
assign ((resid 37 and name HB1))
        ((resid 38 and name HN)) 
        3.21897  1.51897  0.781026
assign ((resid 37 and name HB1)
        OR (resid 22 and name HB*))
        ((resid 37 and name HN)
        OR (resid 37 and name HN)) 
        3.0844  1.3844  2.6956
assign ((resid 45 and name HD*))
        ((resid 37 and name HB1)) 
        3.4592  1.7592  0.790799
assign ((resid 45 and name HD#))
        ((resid 37 and name HB1)) 
        3.11171  1.41171  0.888289
assign ((resid 21 and name HB*))
        ((resid 21 and name HN)) 
        2.86917  1.16917  1.13083
assign ((resid 17 and name HG#))
        ((resid 17 and name HN)) 
        2.93482  1.23482  1.06518
assign ((resid 17 and name HG#)
        OR (resid 21 and name HB*))
        ((resid 17 and name HN)
        OR (resid 17 and name HN)) 
        3.16668  1.46668  0.833322
assign ((resid 9 and name HG+))
        ((resid 10 and name HN)) 
        3.5659  1.8659  1.9341
assign ((resid 9 and name HG+))
        ((resid 9 and name HN)) 
        2.94664  1.24664  1.05336
assign ((resid 30 and name HB2))
        ((resid 30 and name HN)) 
        3.13665  1.43665  2.64335
assign ((resid 30 and name HB2))
        ((resid 30 and name HA)) 
        3.19276  1.49276  2.58724
assign ((resid 41 and name HB#))
        ((resid 41 and name HN)) 
        3.23727  1.53727  0.762734
assign ((resid 46 and name HB#))
        ((resid 46 and name HE2#)) 
        2.90314  1.20314  1.09686
assign ((resid 46 and name HB#))
        ((resid 46 and name HE2*)) 
        3.16468  1.46468  0.835317
!
! manually added 7-41
! 12/11/97
!
assign ((resid 7 and name HG1*)
        OR (resid 7 and name HG1*))
        ((resid 41 and name HB#) 
        OR (resid 46 and name HB#)) 
        3.65304  1.95304  1.84696
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HG2+))
        ((resid 50 and name HB*)
        OR (resid 46 and name HB#)) 
        3.23469  1.53469  0.765309
assign ((resid 50 and name HB*)
        OR (resid 46 and name HB#))
        ((resid 49 and name HN)
        OR (resid 46 and name HN)) 
        3.28136  1.58136  0.968639
assign ((resid 50 and name HB*))
        ((resid 50 and name HA)) 
        2.86824  1.16824  1.13176
assign ((resid 50 and name HB*))
        ((resid 50 and name HN)) 
        3.09328  1.39328  0.906721
assign ((resid 33 and name HD*))
        ((resid 33 and name HE)) 
        3.20154  1.50154  0.798465
assign ((resid 26 and name HB1))
        ((resid 26 and name HN)) 
        3.13114  1.43114  2.64886
assign ((resid 26 and name HB1)
        OR (resid 26 and name HB1))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)) 
        2.9187  1.2187  1.0813
assign ((resid 21 and name HG#)
        OR (resid 17 and name HB1))
        ((resid 17 and name HN)
        OR (resid 17 and name HN)) 
        3.05623  1.35623  2.72377
assign ((resid 21 and name HG#))
        ((resid 11 and name HH)) 
        3.62124  1.92124  1.87876
assign ((resid 21 and name HG#))
        ((resid 21 and name HE2*)) 
        3.09938  1.39938  0.900621
assign ((resid 13 and name HG*))
        ((resid 13 and name HB)) 
        2.3199  0.619901  0.880099
assign ((resid 48 and name HB))
        ((resid 38 and name HE+)) 
        3.22429  1.52429  0.775712
assign ((resid 48 and name HB))
        ((resid 48 and name HN)) 
        2.96691  1.26691  1.03309
assign ((resid 48 and name HB))
        ((resid 38 and name HD+)) 
        2.95106  1.25106  1.04894
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 48 and name HB)
        OR (resid 48 and name HB)) 
        2.37729  0.677291  0.822709
assign ((resid 30 and name HE+))
        ((resid 8 and name HD+)) 
        3.43591  1.73591  0.814091
assign ((resid 41 and name HB*))
        ((resid 41 and name HN)) 
        2.61762  0.917624  1.38238
assign ((resid 9 and name HB#))
        ((resid 9 and name HN)) 
        3.0325  1.3325  0.967498
assign ((resid 43 and name HB+)
        OR (resid 42 and name HB#))
        ((resid 44 and name HD2#)
        OR (resid 44 and name HD2#)) 
        3.58409  1.88409  1.91591
assign ((resid 46 and name HG+)
        OR (resid 9 and name HB#))
        ((resid 46 and name HE2#)
        OR (resid 11 and name HN)) 
        3.93928  2.23928  1.56072
assign ((resid 43 and name HB+)
        OR (resid 12 and name HB*)
        OR (resid 42 and name HB#))
        ((resid 42 and name HN)
        OR (resid 13 and name HN)
        OR (resid 42 and name HN)) 
        2.7766  1.0766  1.2234
assign ((resid 46 and name HG+)
        OR (resid 46 and name HG+))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        2.9539  1.2539  1.0461
assign ((resid 21 and name HB#))
        ((resid 21 and name HN)) 
        2.76227  1.06227  1.23773
assign ((resid 7 and name HB))
        ((resid 7 and name HN)) 
        2.61135  0.911351  1.38865
assign ((resid 7 and name HG1*))
        ((resid 7 and name HB)) 
        2.49331  0.793314  0.706686
assign ((resid 36 and name HB#))
        ((resid 37 and name HN)) 
        2.6981  0.998099  1.3019
!
! added 7-38 manually
! 10/9/97
!
assign ((resid 36 and name HB#)
        OR (resid 7 and name HB#)
        OR (resid 21 and name HB#))
        ((resid 38 and name HE+)
        OR (resid 38 and name HE+)
        OR (resid 18 and name HN)) 
        2.93256  1.23256  1.06744
assign ((resid 36 and name HB#)
        OR (resid 21 and name HB#))
        ((resid 38 and name HD+)
        OR (resid 24 and name HD+)) 
        3.26093  1.56093  0.989066
!
! added manually 7-38
! 10/9/97
!
assign ((resid 7 and name HB#)
        OR (resid 36 and name HB#)
        OR (resid 21 and name HB#))
        ((resid 38 and name HZ)
        OR (resid 38 and name HZ)
        OR (resid 24 and name HD+)) 
        3.1019  1.4019  0.898095
assign ((resid 53 and name HB#)
        OR (resid 17 and name HB2))
        ((resid 54 and name HN)
        OR (resid 16 and name HN)) 
        3.09913  1.39913  0.900867
assign ((resid 17 and name HB2))
        ((resid 17 and name HN)) 
        2.79206  1.09206  1.20794
assign ((resid 9 and name HB*))
        ((resid 9 and name HN)) 
        2.82663  1.12663  1.17337
assign ((resid 9 and name HB*))
        ((resid 10 and name HN)) 
        3.52589  1.82589  1.97411
assign ((resid 53 and name HB#))
        ((resid 53 and name HN)) 
        3.36194  1.66194  0.888057
assign ((resid 18 and name HB2))
        ((resid 19 and name HN)) 
        3.77646  2.07646  3.50354
assign ((resid 18 and name HB2))
        ((resid 18 and name HN)) 
        3.19648  1.49648  2.58352
assign ((resid 15 and name HB#))
        ((resid 11 and name HH)) 
        3.93665  2.23665  1.56335
assign ((resid 15 and name HB#)
        OR (resid 15 and name HB#))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        3.23295  1.53295  0.767046
assign ((resid 6 and name HB#))
        ((resid 51 and name HE+)) 
        2.98729  1.28729  1.01271
assign ((resid 6 and name HB#)
        OR (resid 3 and name HB#))
        ((resid 5 and name HN)
        OR (resid 5 and name HN)) 
        4.18481  2.48481  1.31519
assign ((resid 6 and name HB#))
        ((resid 7 and name HN)) 
        3.572  1.872  1.928
assign ((resid 46 and name HB*)
        OR (resid 6 and name HB#)
        OR (resid 3 and name HB#)
        OR (resid 3 and name HB#)
        OR (resid 15 and name HB#))
        ((resid 46 and name HN)
        OR (resid 49 and name HN)
        OR (resid 3 and name HN)
        OR (resid 2 and name HN)
        OR (resid 14 and name HN)) 
        2.83715  1.13715  1.16285
assign ((resid 46 and name HB*)
        OR (resid 46 and name HB*))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        3.54866  1.84866  1.95134
assign ((resid 15 and name HB*)
        OR (resid 15 and name HB*))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        2.89483  1.19483  1.10517
assign ((resid 36 and name HB*))
        ((resid 37 and name HN)) 
        3.54174  1.84174  1.95826
assign ((resid 6 and name HB*)
        OR (resid 36 and name HB*))
        ((resid 51 and name HD+)
        OR (resid 38 and name HE+)) 
        2.88356  1.18356  1.11644
assign ((resid 42 and name HB*)
        OR (resid 36 and name HB*))
        ((resid 44 and name HD2*)
        OR (resid 36 and name HN)) 
        3.16114  1.46114  0.838856
assign ((resid 6 and name HB*))
        ((resid 6 and name HN)) 
        3.20254  1.50254  0.797462
assign ((resid 6 and name HB*))
        ((resid 51 and name HE+)) 
        2.74914  1.04914  1.25086
assign ((resid 42 and name HB*))
        ((resid 42 and name HN)) 
        2.85091  1.15091  1.14909
assign ((resid 42 and name HB*))
        ((resid 44 and name HD2#)) 
        3.59438  1.89438  1.90562
assign ((resid 5 and name HB+)
        OR (resid 3 and name HB*)
        OR (resid 3 and name HB*))
        ((resid 49 and name HN)
        OR (resid 3 and name HN)
        OR (resid 2 and name HN)) 
        2.80734  1.10734  1.19266
assign ((resid 5 and name HB+)
        OR (resid 3 and name HB*))
        ((resid 5 and name HN)
        OR (resid 5 and name HN)) 
        2.90901  1.20901  1.09099
assign ((resid 53 and name HB*))
        ((resid 53 and name HN)) 
        3.0466  1.3466  0.953405
!
! manually added 12-16 restraints
! 12/11/97
! manually added 53-54 restraint
! 12/15/97
!
assign ((resid 53 and name HB*)
        OR (resid 12 and name HB#)
        OR (resid 12 and name HG*)
        OR (resid 12 and name HB#)
        OR (resid 12 and name HG*))
        ((resid 54 and name HN)
        OR (resid 16 and name HN)
        OR (resid 16 and name HN)
        OR (resid 15 and name HN)
        OR (resid 15 and name HN)) 
        3.08506  1.38506  0.914944
assign ((resid 5 and name HB+))
        ((resid 5 and name HA)) 
        2.94474  1.24474  1.05526
assign ((resid 27 and name HB1))
        ((resid 27 and name HN)) 
        2.66284  0.962839  1.33716
assign ((resid 18 and name HG))
        ((resid 18 and name HN)) 
        2.96677  1.26677  1.03323
assign ((resid 47 and name HB2)
        OR (resid 47 and name HB2))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        2.80091  1.10091  1.19909
assign ((resid 28 and name HB#)
        OR (resid 42 and name HD*)
        OR (resid 27 and name HB1)
        OR (resid 42 and name HD#))
        ((resid 28 and name HN)
        OR (resid 44 and name HD2*)
        OR (resid 28 and name HN)
        OR (resid 44 and name HD2*)) 
        2.55579  0.855792  1.44421
assign ((resid 28 and name HB#))
        ((resid 29 and name HN)) 
        2.8714  1.1714  1.1286
assign ((resid 48 and name HG1#))
        ((resid 48 and name HN)) 
        3.20285  1.50285  0.797153
assign ((resid 48 and name HG1#))
        ((resid 38 and name HD+)) 
        3.11718  1.41718  0.882825
assign ((resid 28 and name HG))
        ((resid 28 and name HN)) 
        3.90081  2.20081  1.59919
assign ((resid 28 and name HG))
        ((resid 28 and name HA)) 
        3.29672  1.59672  0.95328
assign ((resid 18 and name HB1))
        ((resid 18 and name HN)) 
        3.11348  1.41348  2.66652
assign ((resid 18 and name HB1))
        ((resid 19 and name HN)) 
        3.47032  1.77032  0.779677
assign ((resid 43 and name HG#))
        ((resid 43 and name HA)) 
        3.4504  1.7504  0.799598
assign ((resid 45 and name HB#)
        OR (resid 43 and name HG#)
        OR (resid 27 and name HD*))
        ((resid 39 and name HD+)
        OR (resid 39 and name HD+)
        OR (resid 23 and name HD2*)) 
        3.35057  1.65057  0.899425
assign ((resid 45 and name HB#))
        ((resid 45 and name HN)) 
        2.88497  1.18497  1.11503
assign ((resid 45 and name HD*))
        ((resid 45 and name HB#)) 
        2.81157  1.11157  1.18843
assign ((resid 45 and name HD#))
        ((resid 45 and name HB#)) 
        3.0995  1.3995  0.900498
assign ((resid 5 and name HD#))
        ((resid 5 and name HA)) 
        2.55227  0.852273  1.44773
assign ((resid 5 and name HD#))
        ((resid 5 and name HN)) 
        2.94188  1.24188  1.05812
assign ((resid 28 and name HB*))
        ((resid 24 and name HE+)) 
        2.98545  1.28545  1.01455
assign ((resid 43 and name HG*))
        ((resid 43 and name HA)) 
        2.93364  1.23364  1.06636
assign ((resid 28 and name HB*)
        OR (resid 42 and name HG#)
        OR (resid 33 and name HG#))
        ((resid 28 and name HN)
        OR (resid 44 and name HD2*)
        OR (resid 33 and name HN)) 
        2.42572  0.725722  0.774278
assign ((resid 32 and name HB+))
        ((resid 33 and name HB#)) 
        3.19215  1.49215  0.807848
assign ((resid 33 and name HB#)
        OR (resid 28 and name HB*)
        OR (resid 33 and name HG#))
        ((resid 33 and name HE)
        OR (resid 31 and name HN)
        OR (resid 33 and name HE)) 
        3.07856  1.37856  0.921436
assign ((resid 27 and name HB2)
        OR (resid 27 and name HB2)
        OR (resid 28 and name HB*))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)
        OR (resid 27 and name HN)) 
        2.89827  1.19827  2.88173
assign ((resid 19 and name HB+))
        ((resid 20 and name HN)) 
        3.00696  1.30696  0.993037
assign ((resid 19 and name HB+))
        ((resid 19 and name HN)) 
        2.5671  0.867096  1.4329
assign ((resid 19 and name HB+))
        ((resid 18 and name HA)) 
        3.58104  1.88104  1.91896
assign ((resid 19 and name HB+))
        ((resid 20 and name HD2*)) 
        3.65792  1.95792  1.84208
assign ((resid 42 and name HG*))
        ((resid 42 and name HN)) 
        3.33617  1.63617  0.913832
assign ((resid 6 and name HG+))
        ((resid 51 and name HE+)) 
        3.39519  1.69519  0.854812
assign ((resid 5 and name HG*))
        ((resid 5 and name HA)) 
        2.7861  1.0861  1.2139
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 39 and name HE+)
        OR (resid 39 and name HE+)) 
        2.98701  1.28701  1.01299
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 45 and name HN)
        OR (resid 45 and name HN)) 
        2.62606  0.926058  1.37394
assign ((resid 33 and name HG*))
        ((resid 33 and name HE)) 
        3.04275  1.34275  0.957255
assign ((resid 45 and name HD#)
        OR (resid 45 and name HD#))
        ((resid 45 and name HB*)
        OR (resid 45 and name HG)) 
        2.45337  0.753375  0.746625
assign ((resid 33 and name HG*))
        ((resid 33 and name HN)) 
        3.07003  1.37003  0.929966
assign ((resid 45 and name HD*)
        OR (resid 45 and name HD*))
        ((resid 45 and name HB*)
        OR (resid 45 and name HG)) 
        2.4545  0.754501  0.745499
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 8 and name HD+)
        OR (resid 8 and name HD+)) 
        3.26076  1.56076  0.989241
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 30 and name HN)
        OR (resid 30 and name HN)) 
        3.16433  1.46433  0.835672
assign ((resid 15 and name HG#)
        OR (resid 15 and name HG#))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        3.29966  1.59966  0.950338
assign ((resid 48 and name HG1*))
        ((resid 38 and name HD+)) 
        3.52893  1.82893  1.97107
assign ((resid 27 and name HG+)
        OR (resid 27 and name HG+))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)) 
        3.23718  1.53718  0.762817
assign ((resid 13 and name HG*))
        ((resid 47 and name HN)) 
        3.7423  2.0423  1.7577
assign ((resid 45 and name HD#))
        ((resid 13 and name HG*)) 
        3.56672  1.86672  1.93328
assign ((resid 45 and name HD*)
        OR (resid 45 and name HD*))
        ((resid 13 and name HG#)
        OR (resid 13 and name HG*)) 
        3.14773  1.44773  0.852265
assign ((resid 13 and name HG#)
        OR (resid 13 and name HG#)
        OR (resid 13 and name HG*)
        OR (resid 13 and name HG*))
        ((resid 46 and name HN)
        OR (resid 14 and name HN)
        OR (resid 46 and name HN)
        OR (resid 14 and name HN)) 
        2.98009  1.28009  1.01991
assign ((resid 13 and name HG*))
        ((resid 13 and name HN)) 
        2.5546  0.854599  1.4454
assign ((resid 13 and name HG#)
        OR (resid 13 and name HG*))
        ((resid 15 and name HN)
        OR (resid 15 and name HN)) 
        3.87764  2.17764  1.62236
assign ((resid 13 and name HG#)
        OR (resid 13 and name HG*))
        ((resid 45 and name HN)
        OR (resid 45 and name HN)) 
        3.80307  2.10307  1.69693
assign ((resid 7 and name HG1*))
        ((resid 8 and name HN)) 
        3.45406  1.75406  0.79594
assign ((resid 7 and name HG1*))
        ((resid 46 and name HE2#)) 
        4.02933  2.32933  1.47067
assign ((resid 7 and name HG1*))
        ((resid 46 and name HE2*)) 
        3.62069  1.92069  1.87931
assign ((resid 7 and name HG2*))
        ((resid 48 and name HA)) 
        3.63793  1.93793  1.86207
assign ((resid 7 and name HG2*))
        ((resid 8 and name HN)) 
        3.0441  1.3441  0.955903
assign ((resid 7 and name HG2*))
        ((resid 7 and name HN)) 
        3.38723  1.68723  0.862769
assign ((resid 18 and name HD#))
        ((resid 19 and name HN)) 
        3.36379  1.66379  0.886209
assign ((resid 18 and name HD#))
        ((resid 19 and name HN)) 
        3.36379  1.66379  0.886209
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 48 and name HN)
        OR (resid 48 and name HN)) 
        3.47701  1.77701  0.772991
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HG2+)
        OR (resid 48 and name HD1+)
        OR (resid 48 and name HD1+))
        ((resid 46 and name HN)
        OR (resid 49 and name HN)
        OR (resid 46 and name HN)
        OR (resid 49 and name HN)) 
        2.95831  1.25831  1.04169
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 38 and name HE+)
        OR (resid 38 and name HE+)) 
        3.28986  1.58986  0.960137
assign ((resid 48 and name HG2+))
        ((resid 5 and name HA)) 
        3.14952  1.44952  0.850482
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 6 and name HN)
        OR (resid 6 and name HN)) 
        3.03414  1.33414  0.96586
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 38 and name HD+)
        OR (resid 38 and name HD+)) 
        2.90345  1.20345  1.09655
assign ((resid 32 and name HB+))
        ((resid 26 and name HN)) 
        4.19087  2.49087  1.30913
assign ((resid 32 and name HB+))
        ((resid 33 and name HN)) 
        2.80022  1.10022  1.19978
assign ((resid 32 and name HB+)
        OR (resid 32 and name HB+))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)) 
        2.71114  1.01114  1.28886
assign ((resid 32 and name HB+))
        ((resid 51 and name HD+)) 
        3.39449  1.69449  0.855509
assign ((resid 32 and name HB+))
        ((resid 31 and name HN)) 
        3.94457  2.24457  1.55543
assign ((resid 45 and name HD*))
        ((resid 45 and name HN)) 
        3.6917  1.9917  1.8083
assign ((resid 45 and name HD*))
        ((resid 39 and name HD+)) 
        3.65792  1.95792  1.84208
assign ((resid 45 and name HD*))
        ((resid 39 and name HE+)) 
        3.39507  1.69507  0.854929
assign ((resid 45 and name HD*)
        OR (resid 45 and name HD*))
        ((resid 37 and name HN)
        OR (resid 39 and name HN)) 
        4.2534  2.5534  1.2466
assign ((resid 45 and name HD#))
        ((resid 38 and name HN)) 
        3.67222  1.97222  1.82778
assign ((resid 45 and name HD#)
        OR (resid 45 and name HD#))
        ((resid 37 and name HN)
        OR (resid 39 and name HN)) 
        3.9237  2.2237  1.5763
assign ((resid 45 and name HD#))
        ((resid 45 and name HN)) 
        3.68156  1.98156  1.81844
assign ((resid 45 and name HD#)
        OR (resid 45 and name HD#))
        ((resid 46 and name HN)
        OR (resid 14 and name HN)) 
        3.27554  1.57554  0.974463
assign ((resid 45 and name HD#))
        ((resid 39 and name HD+)) 
        3.59127  1.89127  1.90873
assign ((resid 45 and name HD#))
        ((resid 39 and name HE+)) 
        3.4066  1.7066  0.843401
assign ((resid 29 and name HB2))
        ((resid 29 and name HA)) 
        2.65866  0.95866  3.12134
assign ((resid 12 and name HA))
        ((resid 14 and name HN)) 
        3.936  2.236  1.564
assign ((resid 13 and name HB))
        ((resid 12 and name HA)) 
        3.6273  1.9273  1.8727
assign ((resid 8 and name HA))
        ((resid 8 and name HE+)) 
        3.51082  1.81082  1.98918
assign ((resid 30 and name HE+))
        ((resid 8 and name HA)) 
        3.15117  1.45117  0.84883
assign ((resid 7 and name HG2*))
        ((resid 8 and name HA)) 
        3.55424  1.85424  1.94576
assign ((resid 10 and name HA))
        ((resid 10 and name HD2*)) 
        4.45002  2.75002  1.04998
assign ((resid 1 and name HB*))
        ((resid 1 and name HA)) 
        3.4559  1.7559  0.7941
assign ((resid 25 and name HB1)
        OR (resid 24 and name HB#))
        ((resid 22 and name HA)
        OR (resid 22 and name HA)) 
        3.39799  1.69799  2.63201
assign ((resid 53 and name HA))
        ((resid 53 and name HN)) 
        3.12596  1.42596  0.874044
assign ((resid 53 and name HA))
        ((resid 53 and name HN)) 
        3.12596  1.42596  0.874044
assign ((resid 51 and name HB2))
        ((resid 51 and name HA)) 
        2.85753  1.15753  1.14247
assign ((resid 32 and name HB+))
        ((resid 51 and name HA)) 
        3.4349  1.7349  0.815101
assign ((resid 51 and name HA))
        ((resid 33 and name HN)) 
        2.63411  0.934115  1.36589
assign ((resid 45 and name HB#))
        ((resid 45 and name HA)) 
        2.87698  1.17698  1.12302
assign ((resid 11 and name HA)
        OR (resid 9 and name HA))
        ((resid 8 and name HD+)
        OR (resid 8 and name HD+)) 
        3.06172  1.36172  0.938277
assign ((resid 45 and name HA))
        ((resid 39 and name HD+)) 
        3.31358  1.61358  0.936424
assign ((resid 26 and name HA))
        ((resid 26 and name HN)) 
        3.23486  1.53486  0.765144
assign ((resid 32 and name HA))
        ((resid 33 and name HN)) 
        2.64943  0.949432  1.35057
assign ((resid 15 and name HB*))
        ((resid 15 and name HA)) 
        3.24993  1.54993  0.750067
assign ((resid 35 and name HA#)
        OR (resid 35 and name HA#))
        ((resid 35 and name HN)
        OR (resid 48 and name HN)) 
        3.33391  1.63391  0.916089
assign ((resid 35 and name HA#))
        ((resid 36 and name HN)) 
        3.10957  1.40957  0.890431
assign ((resid 35 and name HA#))
        ((resid 36 and name HN)) 
        3.49306  1.79306  0.756939
assign ((resid 23 and name HA))
        ((resid 35 and name HA#)) 
        3.65207  1.95207  1.84793
assign ((resid 46 and name HB*)
        OR (resid 6 and name HB#))
        ((resid 7 and name HA)
        OR (resid 7 and name HA)) 
        4.20734  2.50734  1.29266
assign ((resid 23 and name HB1)
        OR (resid 8 and name HB*))
        ((resid 34 and name HB*)
        OR (resid 7 and name HA)) 
        3.1431  1.4431  0.856896
assign ((resid 34 and name HB*))
        ((resid 34 and name HN)) 
        3.66008  1.96008  1.83992
assign ((resid 48 and name HG1#))
        ((resid 7 and name HA)) 
        3.65227  1.95227  1.84773
assign ((resid 24 and name HA)
        OR (resid 24 and name HA))
        ((resid 27 and name HN)
        OR (resid 21 and name HN)) 
        4.0826  2.3826  1.4174
assign ((resid 14 and name HB#)
        OR (resid 21 and name HA))
        ((resid 14 and name HN)
        OR (resid 22 and name HN)) 
        2.7102  1.0102  1.2898
assign ((resid 21 and name HA))
        ((resid 21 and name HE2#)) 
        3.54519  1.84519  1.95481
assign ((resid 21 and name HG*))
        ((resid 21 and name HA)) 
        3.39624  1.69624  0.853765
assign ((resid 23 and name HA)
        OR (resid 21 and name HA))
        ((resid 24 and name HN)
        OR (resid 24 and name HN)) 
        3.19238  1.49238  0.807621
assign ((resid 21 and name HG#)
        OR (resid 26 and name HB1))
        ((resid 21 and name HA)
        OR (resid 23 and name HA)) 
        3.2867  1.5867  2.7433
assign ((resid 23 and name HA)
        OR (resid 21 and name HA))
        ((resid 23 and name HN)
        OR (resid 23 and name HN)) 
        2.99675  1.29675  1.00325
assign ((resid 37 and name HB2))
        ((resid 38 and name HN)) 
        3.5303  1.8303  3.7497
assign ((resid 12 and name HD#))
        ((resid 11 and name HN)) 
        3.94291  2.24291  1.55709
assign ((resid 31 and name HB*))
        ((resid 31 and name HD2)) 
        4.16213  2.46213  1.33787
assign ((resid 40 and name HB2))
        ((resid 40 and name HN)) 
        3.90948  2.20948  1.59052
assign ((resid 25 and name HB1))
        ((resid 8 and name HD+)) 
        3.95193  2.25193  3.32807
assign ((resid 24 and name HB*)
        OR (resid 38 and name HB#)
        OR (resid 54 and name HB#))
        ((resid 20 and name HD2*)
        OR (resid 38 and name HZ)
        OR (resid 54 and name HD+)) 
        2.76244  1.06244  1.23756
assign ((resid 24 and name HB*))
        ((resid 25 and name HN)) 
        3.09382  1.39382  0.906175
assign ((resid 29 and name HB1)
        OR (resid 25 and name HB2)
        OR (resid 11 and name HB#)
        OR (resid 22 and name HB#))
        ((resid 25 and name HN)
        OR (resid 25 and name HN)
        OR (resid 9 and name HN)
        OR (resid 25 and name HN)) 
        2.99889  1.29889  1.00111
assign ((resid 29 and name HB1)
        OR (resid 25 and name HB2)
        OR (resid 11 and name HB#))
        ((resid 8 and name HE+)
        OR (resid 8 and name HE+)
        OR (resid 8 and name HE+)) 
        2.65484  0.954837  1.34516
assign ((resid 54 and name HB*)
        OR (resid 23 and name HB1)
        OR (resid 8 and name HB*))
        ((resid 53 and name HA)
        OR (resid 22 and name HA)
        OR (resid 48 and name HA)) 
        3.15721  1.45721  2.62279
assign ((resid 44 and name HB1))
        ((resid 46 and name HE2#)) 
        4.01712  2.31712  3.26288
assign ((resid 21 and name HG*)
        OR (resid 44 and name HB1))
        ((resid 21 and name HE2#)
        OR (resid 46 and name HE2*)) 
        3.05335  1.35335  0.946654
assign ((resid 37 and name HB1)
        OR (resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 48 and name HN)
        OR (resid 48 and name HN)
        OR (resid 48 and name HN)) 
        3.63907  1.93907  1.86093
assign ((resid 41 and name HG+))
        ((resid 41 and name HN)) 
        3.88625  2.18625  1.61375
assign ((resid 9 and name HG+))
        ((resid 8 and name HD+)) 
        4.25963  2.55963  1.24037
assign ((resid 7 and name HG1*))
        ((resid 9 and name HG+)) 
        4.75743  3.05743  1.11757
assign ((resid 30 and name HB1)
        OR (resid 26 and name HB1))
        ((resid 51 and name HE+)
        OR (resid 51 and name HE+)) 
        3.42926  1.72926  0.820744
assign ((resid 48 and name HB))
        ((resid 36 and name HN)) 
        4.0367  2.3367  1.4633
assign ((resid 41 and name HB*))
        ((resid 42 and name HN)) 
        3.51303  1.81303  1.98697
assign ((resid 53 and name HB#)
        OR (resid 53 and name HB#)
        OR (resid 9 and name HB*)
        OR (resid 36 and name HB#))
        ((resid 34 and name HB#)
        OR (resid 54 and name HA)
        OR (resid 9 and name HA)
        OR (resid 34 and name HB#)) 
        2.81173  1.11173  1.18827
assign ((resid 6 and name HB#))
        ((resid 6 and name HN)) 
        3.73978  2.03978  1.76022
assign ((resid 3 and name HB#))
        ((resid 4 and name HN)) 
        4.24668  2.54668  1.25332
assign ((resid 46 and name HB*))
        ((resid 46 and name HE2#)) 
        4.31808  2.61808  1.18192
assign ((resid 36 and name HB*))
        ((resid 38 and name HD+)) 
        3.75816  2.05816  1.74184
assign ((resid 36 and name HB*))
        ((resid 38 and name HZ)) 
        3.57233  1.87233  1.92767
assign ((resid 42 and name HB*)
        OR (resid 36 and name HB*)
        OR (resid 36 and name HB*))
        ((resid 44 and name HN)
        OR (resid 35 and name HN)
        OR (resid 48 and name HN)) 
        3.72936  2.02936  1.77064
assign ((resid 6 and name HB*))
        ((resid 7 and name HN)) 
        3.82834  2.12834  1.67166
assign ((resid 42 and name HB*))
        ((resid 43 and name HN)) 
        3.99383  2.29383  1.50617
assign ((resid 5 and name HB+)
        OR (resid 3 and name HB*))
        ((resid 4 and name HN)
        OR (resid 4 and name HN)) 
        3.90204  2.20204  1.59796
assign ((resid 12 and name HB#)
        OR (resid 12 and name HB#)
        OR (resid 12 and name HB#))
        ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 14 and name HB#)) 
        3.63831  1.93831  1.86169
assign ((resid 12 and name HB#)
        OR (resid 12 and name HG*))
        ((resid 13 and name HN)
        OR (resid 13 and name HN)) 
        3.53676  1.83676  1.96324
assign ((resid 28 and name HG))
        ((resid 29 and name HA)) 
        3.66621  1.96621  1.83379
assign ((resid 43 and name HG#))
        ((resid 43 and name HE)) 
        3.57483  1.87483  1.92517
!
! manually added 6-6
! 12/15/97
!
assign ((resid 6 and name HD#)
        OR (resid 5 and name HD#))
        ((resid 6 and name HN) 
        OR (resid 6 and name HN)) 
        2.84298  1.14298  1.15702
assign ((resid 19 and name HB+))
        ((resid 20 and name HD2#)) 
        3.85625  2.15625  1.64375
assign ((resid 5 and name HG#)
        OR (resid 6 and name HG+))
        ((resid 5 and name HA)
        OR (resid 5 and name HA)) 
        3.33422  1.63422  0.915782
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 39 and name HD+)
        OR (resid 39 and name HD+)) 
        3.38632  1.68632  0.863683
assign ((resid 33 and name HG*)
        OR (resid 33 and name HB*))
        ((resid 34 and name HN)
        OR (resid 34 and name HN)) 
        3.24111  1.54111  0.758886
assign ((resid 48 and name HG1*))
        ((resid 48 and name HN)) 
        3.54866  1.84866  1.95134
assign ((resid 45 and name HD*))
        ((resid 16 and name HN)) 
        4.22912  2.52912  1.27088
assign ((resid 45 and name HD*)
        OR (resid 45 and name HD*))
        ((resid 46 and name HN)
        OR (resid 14 and name HN)) 
        3.78262  2.08262  1.71738
assign ((resid 22 and name HB#))
        ((resid 36 and name HA)) 
        3.50701  1.80701  1.99299
assign ((resid 11 and name HB#)
        OR (resid 11 and name HB#)
        OR (resid 39 and name HB+))
        ((resid 11 and name HA)
        OR (resid 9 and name HA)
        OR (resid 45 and name HA)) 
        2.84689  1.14689  1.15311
assign ((resid 23 and name HA)
        OR (resid 21 and name HA))
        ((resid 34 and name HN)
        OR (resid 21 and name HE2*)) 
        3.7901  2.0901  1.7099
assign ((resid 52 and name HB1))
        ((resid 54 and name HN)) 
        4.35882  2.65882  1.14118
assign ((resid 24 and name HB*))
        ((resid 25 and name HN)) 
        3.30628  1.60628  0.943722
assign ((resid 38 and name HB#))
        ((resid 38 and name HN)) 
        3.53429  1.83429  1.96571
assign ((resid 54 and name HB*)
        OR (resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 54 and name HE+)
        OR (resid 8 and name HE+)
        OR (resid 8 and name HE+)) 
        3.05707  1.35707  0.942932
assign ((resid 1 and name HG+))
        ((resid 1 and name HN)) 
        4.27811  2.57811  1.22189
assign ((resid 17 and name HG#)
        OR (resid 21 and name HB*))
        ((resid 16 and name HN)
        OR (resid 16 and name HN)) 
        3.89866  2.19866  1.60134
assign ((resid 13 and name HB))
        ((resid 14 and name HN)) 
        3.27981  1.57981  0.970193
assign ((resid 28 and name HG))
        ((resid 29 and name HN)) 
        4.39246  2.69246  1.10754
assign ((resid 45 and name HB#)
        OR (resid 43 and name HG#))
        ((resid 39 and name HE+)
        OR (resid 39 and name HE+)) 
        3.41719  1.71719  0.832813
assign ((resid 45 and name HD*))
        ((resid 38 and name HN)) 
        4.35482  2.65482  1.14518
assign ((resid 21 and name HE2*))
        ((resid 11 and name HH)) 
        3.97424  2.27424  1.52576
assign ((resid 51 and name HD+))
        ((resid 51 and name HN)) 
        2.89134  1.19134  1.10866
assign ((resid 11 and name HN))
        ((resid 10 and name HN)) 
        3.04453  1.34453  0.95547
assign ((resid 27 and name HN)
        OR (resid 10 and name HD2*))
        ((resid 26 and name HN)
        OR (resid 10 and name HN)) 
        3.12452  1.42452  0.875476
assign ((resid 25 and name HN)
        OR (resid 9 and name HN))
        ((resid 26 and name HN)
        OR (resid 10 and name HN)) 
        3.14541  1.44541  0.854587
assign ((resid 8 and name HD+)
        OR (resid 8 and name HD+))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)) 
        3.52197  1.82197  1.97803
assign ((resid 19 and name HN))
        ((resid 20 and name HN)) 
        3.87178  2.17178  1.62822
assign ((resid 21 and name HN))
        ((resid 20 and name HN)) 
        3.17693  1.47693  0.82307
assign ((resid 8 and name HD+))
        ((resid 9 and name HN)) 
        3.20331  1.50331  0.796689
assign ((resid 24 and name HN))
        ((resid 25 and name HN)) 
        3.30377  1.60377  0.946226
assign ((resid 46 and name HN))
        ((resid 38 and name HN)) 
        3.35612  1.65612  0.893882
assign ((resid 37 and name HA))
        ((resid 38 and name HN)) 
        2.55015  0.85015  1.44985
assign ((resid 42 and name HN))
        ((resid 41 and name HN)) 
        3.06952  1.36952  0.930483
assign ((resid 28 and name HN))
        ((resid 29 and name HN)) 
        3.13959  1.43959  0.860406
assign ((resid 30 and name HN))
        ((resid 29 and name HN)) 
        2.89361  1.19361  1.10639
assign ((resid 7 and name HN))
        ((resid 8 and name HN)) 
        4.91317  3.21317  0.961835
assign ((resid 38 and name HD+))
        ((resid 39 and name HN)) 
        3.64001  1.94001  1.85999
assign ((resid 39 and name HD+))
        ((resid 39 and name HN)) 
        3.07827  1.37827  0.921729
assign ((resid 37 and name HA))
        ((resid 37 and name HN)) 
        3.28118  1.58118  0.968822
assign ((resid 43 and name HN))
        ((resid 44 and name HN)) 
        2.9588  1.2588  1.0412
assign ((resid 37 and name HA))
        ((resid 48 and name HN)) 
        3.16847  1.46847  0.831534
assign ((resid 31 and name HD2))
        ((resid 31 and name HE1)) 
        4.83851  3.13851  1.03649
assign ((resid 5 and name HN))
        ((resid 4 and name HN)) 
        2.8975  1.1975  1.1025
assign ((resid 13 and name HN))
        ((resid 14 and name HN)) 
        3.36905  1.66905  0.880951
assign ((resid 15 and name HN)
        OR (resid 16 and name HN))
        ((resid 14 and name HN)
        OR (resid 14 and name HN)) 
        3.07448  1.37448  0.925519
assign ((resid 54 and name HN))
        ((resid 53 and name HN)) 
        3.99455  2.29455  1.50545
assign ((resid 42 and name HN))
        ((resid 43 and name HN)) 
        2.62648  0.926482  1.37352
assign ((resid 44 and name HD2*)
        OR (resid 36 and name HN)
        OR (resid 36 and name HN))
        ((resid 44 and name HN)
        OR (resid 35 and name HN)
        OR (resid 48 and name HN)) 
        3.06866  1.36866  0.931343
assign ((resid 34 and name HN))
        ((resid 33 and name HN)) 
        2.93473  1.23473  1.06527
assign ((resid 38 and name HE+)
        OR (resid 51 and name HD+))
        ((resid 36 and name HN)
        OR (resid 33 and name HN)) 
        3.59248  1.89248  1.90752
assign ((resid 49 and name HA)
        OR (resid 49 and name HA))
        ((resid 36 and name HN)
        OR (resid 33 and name HN)) 
        3.56508  1.86508  1.93492
assign ((resid 44 and name HD2#))
        ((resid 44 and name HD2*)) 
        2.22556  0.525561  0.774439
assign ((resid 32 and name HN)
        OR (resid 27 and name HN))
        ((resid 28 and name HN)
        OR (resid 28 and name HN)) 
        3.10644  1.40644  0.893563
assign ((resid 23 and name HD2#))
        ((resid 24 and name HN)) 
        4.16601  2.46601  1.33399
assign ((resid 24 and name HD+))
        ((resid 24 and name HN)) 
        3.43013  1.73013  0.81987
assign ((resid 42 and name HN))
        ((resid 44 and name HN)) 
        3.23793  1.53793  0.762067
assign ((resid 23 and name HN))
        ((resid 22 and name HN)) 
        3.21849  1.51849  0.781507
assign ((resid 24 and name HD+))
        ((resid 21 and name HE2*)) 
        3.55041  1.85041  1.94959
assign ((resid 21 and name HE2#))
        ((resid 21 and name HE2*)) 
        2.3107  0.610699  0.889301
assign ((resid 1 and name HN))
        ((resid 2 and name HN)) 
        4.12966  2.42966  1.37034
assign ((resid 17 and name HN))
        ((resid 16 and name HN)) 
        2.94341  1.24341  1.05659
assign ((resid 54 and name HD+))
        ((resid 54 and name HN)) 
        3.06923  1.36923  0.93077
assign ((resid 20 and name HD2*))
        ((resid 20 and name HD2#)) 
        2.20781  0.507808  0.792192
assign ((resid 10 and name HD2#))
        ((resid 10 and name HD2*)) 
        2.16416  0.464159  0.835841
assign ((resid 21 and name HN))
        ((resid 22 and name HN)) 
        3.2309  1.5309  0.769104
assign ((resid 23 and name HD2*)
        OR (resid 8 and name HD+))
        ((resid 23 and name HD2#)
        OR (resid 11 and name HN)) 
        2.26197  0.561966  0.738034
assign ((resid 46 and name HE2*))
        ((resid 46 and name HE2#)) 
        2.18734  0.487337  0.812663
assign ((resid 51 and name HE+))
        ((resid 51 and name HD+)) 
        2.12353  0.423528  0.876472
assign ((resid 38 and name HD+))
        ((resid 38 and name HE+)) 
        2.0212  0.321201  0.978799
assign ((resid 37 and name HA))
        ((resid 38 and name HD+)) 
        3.78262  2.08262  1.71738
assign ((resid 24 and name HE+))
        ((resid 24 and name HD+)) 
        1.89628  0.196281  1.10372
assign ((resid 38 and name HZ))
        ((resid 38 and name HE+)) 
        2.41353  0.713532  0.786468
assign ((resid 31 and name HN))
        ((resid 29 and name HN)) 
        3.7031  2.0031  1.7969
assign ((resid 25 and name HN))
        ((resid 11 and name HH)) 
        4.17633  2.47633  1.32367
assign ((resid 8 and name HD+)
        OR (resid 8 and name HD+))
        ((resid 26 and name HN)
        OR (resid 10 and name HN)) 
        3.87853  2.17853  1.62147
! make sure 8 HE+, 9 HN present
assign ((resid 8 and name HE+)
        OR (resid 8 and name HE+)
        OR (resid 24 and name HE+))
        ((resid 25 and name HN)
        OR (resid 9 and name HN)
        OR (resid 25 and name HN)) 
        3.49023  1.79023  0.759768
assign ((resid 51 and name HD+))
        ((resid 6 and name HN)) 
        3.43705  1.73705  0.812952
assign ((resid 18 and name HN))
        ((resid 19 and name HN)) 
        3.8023  2.1023  1.6977
assign ((resid 39 and name HD+))
        ((resid 43 and name HN)) 
        3.35708  1.65708  0.892916
assign ((resid 30 and name HN)
        OR (resid 30 and name HN))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)) 
        3.78935  2.08935  1.71065
assign ((resid 31 and name HN))
        ((resid 32 and name HN)) 
        2.92594  1.22594  1.07406
assign ((resid 38 and name HD+))
        ((resid 48 and name HN)) 
        3.9697  2.2697  1.5303
assign ((resid 21 and name HE2#))
        ((resid 24 and name HD+)) 
        2.9164  1.2164  1.0836
assign ((resid 39 and name HE+))
        ((resid 39 and name HD+)) 
        3.10258  1.40258  0.897415
assign ((resid 9 and name HG+)
        OR (resid 9 and name HG+)
        OR (resid 41 and name HG+))
        ((resid 10 and name HA)
        OR (resid 8 and name HA)
        OR (resid 42 and name HA)) 
        3.44112  1.74112  0.808881
assign ((resid 48 and name HA))
        ((resid 6 and name HN)) 
        4.37439  2.67439  1.12561
assign ((resid 22 and name HA))
        ((resid 11 and name HE*)) 
        3.65402  1.95402  1.84598
assign ((resid 4 and name HB1))
        ((resid 3 and name HA)) 
        4.44082  2.74082  2.83918
assign ((resid 53 and name HA))
        ((resid 52 and name HN)) 
        4.60475  2.90475  0.895248
assign ((resid 51 and name HA))
        ((resid 52 and name HN)) 
        3.52317  1.82317  1.97683
assign ((resid 41 and name HA))
        ((resid 42 and name HN)) 
        3.33034  1.63034  0.919657
assign ((resid 51 and name HA))
        ((resid 50 and name HA)) 
        3.92659  2.22659  1.57341
assign ((resid 45 and name HA))
        ((resid 39 and name HA)) 
        2.4642  0.764197  0.735803
assign ((resid 11 and name HA))
        ((resid 11 and name HD#)) 
        3.21969  1.51969  0.780305
assign ((resid 11 and name HA))
        ((resid 11 and name HD*)) 
        3.18481  1.48481  0.815188
assign ((resid 33 and name HA)
        OR (resid 34 and name HB#))
        ((resid 34 and name HA)
        OR (resid 34 and name HA)) 
        2.71811  1.01811  1.28189
assign ((resid 26 and name HA)
        OR (resid 33 and name HA))
        ((resid 31 and name HN)
        OR (resid 33 and name HE)) 
        3.50512  1.80512  1.99488
assign ((resid 26 and name HB2))
        ((resid 26 and name HA)) 
        2.62542  0.925423  1.37458
assign ((resid 19 and name HA)
        OR (resid 26 and name HA))
        ((resid 20 and name HA)
        OR (resid 25 and name HA)) 
        2.79331  1.09331  1.20669
assign ((resid 34 and name HB*))
        ((resid 34 and name HA)) 
        2.63737  0.937375  1.36263
assign ((resid 21 and name HB#)
        OR (resid 12 and name HB*))
        ((resid 21 and name HA)
        OR (resid 14 and name HB#)) 
        2.62019  0.920193  1.37981
assign ((resid 23 and name HA)
        OR (resid 21 and name HA)
        OR (resid 21 and name HA))
        ((resid 34 and name HA)
        OR (resid 20 and name HA)
        OR (resid 25 and name HA)) 
        2.92149  1.22149  1.07851
assign ((resid 23 and name HA))
        ((resid 49 and name HA)) 
        4.40098  2.70098  1.09902
assign ((resid 13 and name HA)
        OR (resid 14 and name HB*)
        OR (resid 23 and name HA))
        ((resid 14 and name HN)
        OR (resid 14 and name HN)
        OR (resid 22 and name HN)) 
        2.74636  1.04636  1.25364
assign ((resid 13 and name HA))
        ((resid 11 and name HE#)) 
        4.19905  2.49905  1.30095
assign ((resid 13 and name HA))
        ((resid 11 and name HD#)) 
        3.49278  1.79278  0.757223
assign ((resid 13 and name HA))
        ((resid 11 and name HD*)) 
        3.49051  1.79051  0.759486
assign ((resid 31 and name HB#))
        ((resid 31 and name HA)) 
        2.86806  1.16806  1.13194
assign ((resid 12 and name HD#))
        ((resid 11 and name HD*)) 
        3.89592  2.19592  1.60408
assign ((resid 12 and name HD#))
        ((resid 11 and name HD#)) 
        3.99274  2.29274  1.50726
assign ((resid 53 and name HB*)
        OR (resid 12 and name HB#)
        OR (resid 12 and name HG*))
        ((resid 52 and name HB1)
        OR (resid 12 and name HD#)
        OR (resid 12 and name HD#)) 
        2.71958  1.01958  1.28042
assign ((resid 31 and name HB*))
        ((resid 31 and name HA)) 
        2.81941  1.11941  1.18059
assign ((resid 40 and name HB2))
        ((resid 40 and name HA)) 
        2.76293  1.06293  3.01707
assign ((resid 4 and name HB1))
        ((resid 4 and name HA)) 
        2.87716  1.17716  2.90284
assign ((resid 16 and name HB2))
        ((resid 16 and name HA)) 
        3.157  1.457  0.842998
assign ((resid 16 and name HB2))
        ((resid 37 and name HB2)) 
        4.64106  2.94106  3.01394
assign ((resid 25 and name HB1)
        OR (resid 24 and name HB#))
        ((resid 25 and name HA)
        OR (resid 25 and name HA)) 
        2.83052  1.13052  1.16948
assign ((resid 38 and name HB#))
        ((resid 37 and name HA)) 
        4.40098  2.70098  1.09902
assign ((resid 38 and name HB#)
        OR (resid 38 and name HB#))
        ((resid 38 and name HA)
        OR (resid 40 and name HA)) 
        2.67214  0.972141  1.32786
assign ((resid 24 and name HB*)
        OR (resid 50 and name HB#))
        ((resid 23 and name HN)
        OR (resid 34 and name HN)) 
        3.6865  1.9865  1.8135
assign ((resid 50 and name HB#))
        ((resid 49 and name HA)) 
        4.71559  3.01559  1.15941
assign ((resid 50 and name HB*)
        OR (resid 50 and name HB*)
        OR (resid 46 and name HB#))
        ((resid 52 and name HB2)
        OR (resid 50 and name HB#)
        OR (resid 38 and name HB#)) 
        2.23956  0.539558  0.760442
assign ((resid 10 and name HB*))
        ((resid 10 and name HD2#)) 
        4.20214  2.50214  1.29786
assign ((resid 43 and name HD+)
        OR (resid 23 and name HB2))
        ((resid 44 and name HN)
        OR (resid 35 and name HN)) 
        3.61291  1.91291  1.88709
assign ((resid 10 and name HB#))
        ((resid 10 and name HN)) 
        3.56787  1.86787  1.93213
assign ((resid 29 and name HB2))
        ((resid 28 and name HN)) 
        3.2097  1.5097  0.790299
assign ((resid 10 and name HB#)
        OR (resid 23 and name HB2))
        ((resid 11 and name HN)
        OR (resid 23 and name HD2#)) 
        2.94521  1.24521  2.83479
assign ((resid 10 and name HB#))
        ((resid 10 and name HD2#)) 
        3.44806  1.74806  0.801935
assign ((resid 20 and name HB#)
        OR (resid 29 and name HB2)
        OR (resid 23 and name HB2)
        OR (resid 4 and name HB2))
        ((resid 20 and name HA)
        OR (resid 25 and name HA)
        OR (resid 20 and name HA)
        OR (resid 4 and name HA)) 
        2.46769  0.767692  0.732308
assign ((resid 20 and name HB#)
        OR (resid 23 and name HB2))
        ((resid 20 and name HN)
        OR (resid 20 and name HN)) 
        3.56754  1.86754  1.93246
assign ((resid 29 and name HB2))
        ((resid 30 and name HN)) 
        2.99226  1.29226  1.00774
assign ((resid 42 and name HE+))
        ((resid 43 and name HN)) 
        3.64324  1.94324  1.85676
!
! manually removed, too much overlap
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 20 and name HB#))
!((NOT ALL)
! OR (resid 24 and name HD+)) 
!       3.26392  1.56392  0.986076
assign ((resid 16 and name HB1))
        ((resid 17 and name HN)) 
        4.05616  2.35616  3.22384
assign ((resid 44 and name HB2))
        ((resid 44 and name HA)) 
        2.98465  1.28465  2.79535
assign ((resid 51 and name HB2))
        ((resid 52 and name HN)) 
        4.36217  2.66217  1.13783
assign ((resid 51 and name HB2))
        ((resid 50 and name HA)) 
        3.387  1.687  0.862998
assign ((resid 5 and name HG#)
        OR (resid 6 and name HG+))
        ((resid 5 and name HE+)
        OR (resid 51 and name HB2)) 
        2.81865  1.11865  1.18135
assign ((resid 39 and name HB+))
        ((resid 43 and name HN)) 
        3.7423  2.0423  1.7577
assign ((resid 39 and name HB+))
        ((resid 39 and name HA)) 
        2.2305  0.530502  0.769498
assign ((resid 25 and name HB2)
        OR (resid 22 and name HB#))
        ((resid 23 and name HN)
        OR (resid 23 and name HN)) 
        3.1312  1.4312  0.868797
assign ((resid 25 and name HB2)
        OR (resid 11 and name HB#)
        OR (resid 22 and name HB#))
        ((resid 11 and name HD*)
        OR (resid 11 and name HD*)
        OR (resid 11 and name HD*)) 
        2.89209  1.19209  1.10791
assign ((resid 25 and name HB2)
        OR (resid 11 and name HB#)
        OR (resid 22 and name HB#))
        ((resid 11 and name HE#)
        OR (resid 11 and name HE#)
        OR (resid 11 and name HE#)) 
        3.17178  1.47178  0.828225
assign ((resid 29 and name HB1)
        OR (resid 25 and name HB2))
        ((resid 30 and name HN)
        OR (resid 30 and name HN)) 
        3.66542  1.96542  3.61458
assign ((resid 6 and name HE*))
        ((resid 51 and name HE+)) 
        4.73439  3.03439  1.14061
assign ((resid 42 and name HG*)
        OR (resid 19 and name HB+))
        ((resid 40 and name HB1)
        OR (resid 20 and name HB*)) 
        3.04437  1.34437  0.955632
assign ((resid 40 and name HB1))
        ((resid 40 and name HA)) 
        3.29286  1.59286  2.73714
assign ((resid 40 and name HB1))
        ((resid 40 and name HB2)) 
        2.47163  0.771626  0.728374
assign ((resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 11 and name HD*)
        OR (resid 11 and name HD*)) 
        3.38177  1.68177  0.868228
assign ((resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 11 and name HD#)
        OR (resid 11 and name HD#)) 
        3.24423  1.54423  0.755768
assign ((resid 15 and name HD*))
        ((resid 15 and name HE#)) 
        3.01201  1.31201  0.987989
assign ((resid 38 and name HB*)
        OR (resid 38 and name HB*))
        ((resid 38 and name HA)
        OR (resid 40 and name HA)) 
        2.63793  0.937931  1.36207
assign ((resid 44 and name HB1))
        ((resid 44 and name HA)) 
        2.75038  1.05038  1.24962
assign ((resid 15 and name HD*))
        ((resid 15 and name HE*)) 
        2.85826  1.15826  1.14174
assign ((resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 11 and name HD#)
        OR (resid 11 and name HD#)) 
        3.57117  1.87117  1.92883
assign ((resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 11 and name HD*)
        OR (resid 11 and name HD*)) 
        3.34082  1.64082  0.909181
assign ((resid 33 and name HG*)
        OR (resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 33 and name HD#)
        OR (resid 37 and name HB1)
        OR (resid 37 and name HB1)) 
        2.62267  0.922665  1.37733
assign ((resid 7 and name HG2*))
        ((resid 9 and name HG+)) 
        2.7584  1.0584  1.2416
assign ((resid 17 and name HG*))
        ((resid 17 and name HN)) 
        3.07663  1.37663  0.923366
assign ((resid 41 and name HB#))
        ((resid 42 and name HN)) 
        4.33457  2.63457  1.16543
!
! manually discarded; weak peak
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 46 and name HB#))
!((NOT ALL)
! OR (resid 40 and name HN)) 
!       3.8947  2.1947  1.6053
assign ((resid 46 and name HB#))
        ((resid 46 and name HA)) 
        2.72628  1.02628  1.27372
assign ((resid 50 and name HB*))
        ((resid 51 and name HN)) 
        3.95768  2.25768  1.54232
assign ((resid 26 and name HB1)
        OR (resid 50 and name HB*))
        ((resid 49 and name HA)
        OR (resid 49 and name HA)) 
        3.44035  1.74035  0.809647
assign ((resid 53 and name HG#)
        OR (resid 33 and name HD*))
        ((resid 53 and name HN)
        OR (resid 53 and name HN)) 
        3.75439  2.05439  1.74561
assign ((resid 30 and name HB1)
        OR (resid 26 and name HB1))
        ((resid 30 and name HN)
        OR (resid 30 and name HN)) 
        3.00178  1.30178  0.998224
assign ((resid 30 and name HG#)
        OR (resid 30 and name HG#)
        OR (resid 18 and name HD#))
        ((resid 30 and name HB1)
        OR (resid 26 and name HB1)
        OR (resid 17 and name HB1)) 
        2.75049  1.05049  1.24951
assign ((resid 53 and name HG*))
        ((resid 53 and name HN)) 
        3.95972  2.25972  1.54028
assign ((resid 41 and name HB*))
        ((resid 40 and name HB2)) 
        3.55488  1.85488  1.94512
assign ((resid 12 and name HD*))
        ((resid 11 and name HD*)) 
        3.98413  2.28413  1.51587
assign ((resid 46 and name HG+))
        ((resid 46 and name HA)) 
        2.89399  1.19399  1.10601
assign ((resid 43 and name HB+))
        ((resid 43 and name HE)) 
        3.2664  1.5664  0.983599
assign ((resid 43 and name HB+)
        OR (resid 42 and name HB#))
        ((resid 44 and name HN)
        OR (resid 44 and name HN)) 
        3.34835  1.64835  0.901646
assign ((resid 43 and name HB+)
        OR (resid 42 and name HB#))
        ((resid 43 and name HN)
        OR (resid 43 and name HN)) 
        3.05468  1.35468  0.945324
assign ((resid 43 and name HB+))
        ((resid 39 and name HD+)) 
        3.42405  1.72405  0.825953
assign ((resid 21 and name HB#)
        OR (resid 1 and name HB*)
        OR (resid 1 and name HB*)
        OR (resid 12 and name HB*))
        ((resid 22 and name HN)
        OR (resid 3 and name HN)
        OR (resid 2 and name HN)
        OR (resid 14 and name HN)) 
        2.93933  1.23933  1.06067
assign ((resid 36 and name HB#))
        ((resid 37 and name HA)) 
        4.24169  2.54169  1.25831
assign ((resid 15 and name HB#))
        ((resid 11 and name HE#)) 
        3.96521  2.26521  1.53479
assign ((resid 15 and name HB#))
        ((resid 11 and name HE*)) 
        3.96659  2.26659  1.53341
assign ((resid 46 and name HB*)
        OR (resid 6 and name HB#)
        OR (resid 15 and name HB#))
        ((resid 40 and name HA)
        OR (resid 6 and name HA)
        OR (resid 16 and name HA)) 
        2.70934  1.00934  1.29066
assign ((resid 6 and name HB#))
        ((resid 5 and name HA)) 
        4.85679  3.15679  1.01821
assign ((resid 42 and name HB*)
        OR (resid 6 and name HB*)
        OR (resid 36 and name HB*))
        ((resid 40 and name HA)
        OR (resid 6 and name HA)
        OR (resid 38 and name HA)) 
        2.88371  1.18371  1.11629
assign ((resid 42 and name HD*)
        OR (resid 42 and name HD#))
        ((resid 44 and name HD2#)
        OR (resid 44 and name HD2#)) 
        4.20008  2.50008  1.29992
assign ((resid 18 and name HG))
        ((resid 19 and name HN)) 
        4.41544  2.71544  1.08456
assign ((resid 18 and name HG))
        ((resid 18 and name HA)) 
        3.30637  1.60637  0.943625
assign ((resid 47 and name HB2))
        ((resid 11 and name HD*)) 
        3.67626  1.97626  3.60374
assign ((resid 47 and name HB2))
        ((resid 8 and name HD+)) 
        3.44112  1.74112  0.808881
assign ((resid 28 and name HB#))
        ((resid 25 and name HA)) 
        2.72598  1.02598  1.27402
assign ((resid 43 and name HG#))
        ((resid 43 and name HN)) 
        3.97354  2.27354  1.52646
assign ((resid 45 and name HB#)
        OR (resid 43 and name HG#))
        ((resid 44 and name HA)
        OR (resid 44 and name HA)) 
        3.91324  2.21324  1.58676
assign ((resid 6 and name HD*))
        ((resid 51 and name HE+)) 
        3.28522  1.58522  0.964777
assign ((resid 5 and name HD*)
        OR (resid 6 and name HD*))
        ((resid 6 and name HA)
        OR (resid 6 and name HA)) 
        2.81582  1.11582  1.18418
assign ((resid 28 and name HB*)
        OR (resid 42 and name HG#))
        ((resid 29 and name HN)
        OR (resid 41 and name HN)) 
        2.96223  1.26223  1.03777
assign ((resid 28 and name HB*))
        ((resid 25 and name HA)) 
        2.89338  1.19338  1.10662
assign ((resid 42 and name HG#))
        ((resid 42 and name HN)) 
        3.46359  1.76359  0.786407
assign ((resid 27 and name HB2)
        OR (resid 33 and name HB#)
        OR (resid 33 and name HG#))
        ((resid 34 and name HN)
        OR (resid 34 and name HN)
        OR (resid 34 and name HN)) 
        3.22405  1.52405  0.775955
assign ((resid 5 and name HG#)
        OR (resid 6 and name HG+))
        ((resid 6 and name HN)
        OR (resid 6 and name HN)) 
        3.50628  1.80628  1.99372
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 37 and name HB2)
        OR (resid 37 and name HB2)) 
        3.78585  2.08585  3.49415
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 44 and name HA)
        OR (resid 44 and name HA)) 
        3.28652  1.58652  0.963482
assign ((resid 32 and name HB+)
        OR (resid 32 and name HB+))
        ((resid 30 and name HG*)
        OR (resid 30 and name HD*)) 
        3.56787  1.86787  1.93213
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 30 and name HB2)
        OR (resid 30 and name HB2)) 
        2.62615  0.926154  3.15385
assign ((resid 30 and name HG*)
        OR (resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 30 and name HB1)
        OR (resid 26 and name HB1)
        OR (resid 30 and name HB1)) 
        2.4659  0.765903  0.734097
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 30 and name HE+)
        OR (resid 30 and name HE+)) 
        2.59216  0.892157  1.40784
assign ((resid 13 and name HG*))
        ((resid 11 and name HD*)) 
        3.81032  2.11032  1.68968
assign ((resid 13 and name HG*))
        ((resid 46 and name HA)) 
        3.28301  1.58301  0.966987
assign ((resid 13 and name HG*))
        ((resid 11 and name HD#)) 
        4.07671  2.37671  1.42329
assign ((resid 7 and name HG1*))
        ((resid 6 and name HA)) 
        3.15547  1.45547  0.844533
assign ((resid 7 and name HG2*))
        ((resid 9 and name HN)) 
        3.63156  1.93156  1.86844
assign ((resid 7 and name HG2*))
        ((resid 46 and name HE2#)) 
        3.74001  2.04001  1.75999
assign ((resid 18 and name HD#))
        ((resid 18 and name HN)) 
        3.57084  1.87084  1.92916
assign ((resid 28 and name HD*)
        OR (resid 30 and name HG#))
        ((resid 30 and name HN)
        OR (resid 30 and name HN)) 
        3.31989  1.61989  0.930107
assign ((resid 28 and name HD*)
        OR (resid 30 and name HG#))
        ((resid 28 and name HN)
        OR (resid 28 and name HN)) 
        3.90513  2.20513  1.59487
assign ((resid 28 and name HD*)
        OR (resid 28 and name HD*))
        ((resid 24 and name HD+)
        OR (resid 31 and name HD2)) 
        4.03866  2.33866  1.46134
assign ((resid 28 and name HD#))
        ((resid 31 and name HD2)) 
        4.14309  2.44309  1.35691
assign ((resid 28 and name HD#))
        ((resid 29 and name HA)) 
        4.09455  2.39455  1.40545
assign ((resid 28 and name HD#))
        ((resid 28 and name HN)) 
        3.77597  2.07597  1.72403
assign ((resid 28 and name HD#))
        ((resid 31 and name HA)) 
        4.95781  3.25781  0.917188
assign ((resid 48 and name HG2+))
        ((resid 49 and name HA)) 
        4.30569  2.60569  1.19431
assign ((resid 32 and name HB+))
        ((resid 34 and name HA)) 
        3.58358  1.88358  1.91642
assign ((resid 33 and name HD#)
        OR (resid 47 and name HB1))
        ((resid 52 and name HA)
        OR (resid 8 and name HA)) 
        3.66781  1.96781  1.83219
!
!manually added 53HA-4HA
!see JEC.lab5, p. 102
!
assign ((resid 53 and name HA)
        OR (resid 22 and name HA)
        OR (resid 3 and name HA))
        ((resid 4 and name HA)
        OR (resid 25 and name HA)
        OR (resid 4 and name HA)) 
        3.47797  1.77797  0.772029
assign ((resid 41 and name HA))
        ((resid 40 and name HA)) 
        3.30272  1.60272  0.947281
assign ((resid 45 and name HA))
        ((resid 44 and name HA)) 
        4.63899  2.93899  1.23601
!
! manually added 6-9, 48-45
! 12/14/97
!
assign ((resid 6 and name HD#)
        OR (resid 48 and name HG1#)
        OR (resid 27 and name HD#))
        ((resid 9 and name HA) 
        OR (resid 45 and name HA) 
        OR (resid 34 and name HB#)) 
        3.19457  1.49457  0.805425
assign ((resid 12 and name HD*))
        ((resid 11 and name HA)) 
        2.3225  0.622498  0.877502
assign ((resid 7 and name HG1*))
        ((resid 9 and name HA)) 
        4.11922  2.41922  1.38078
assign ((resid 30 and name HG#)
        OR (resid 18 and name HD#))
        ((resid 26 and name HA)
        OR (resid 19 and name HA)) 
        3.32489  1.62489  0.925112
!
! manually added 49-33
! 12/14/97
!
assign ((resid 49 and name HB*)
        OR (resid 49 and name HB*))
        ((resid 33 and name HA)
        OR (resid 26 and name HA)) 
        3.2893  1.5893  0.960696
assign ((resid 19 and name HA))
        ((resid 18 and name HA)) 
        3.74553  2.04553  1.75447
assign ((resid 51 and name HB1))
        ((resid 32 and name HA)) 
        5.02328  3.32328  0.5
assign ((resid 32 and name HA)
        OR (resid 19 and name HA))
        ((resid 34 and name HN)
        OR (resid 23 and name HN)) 
        3.92788  2.22788  1.57212
assign ((resid 28 and name HA)
        OR (resid 27 and name HA)
        OR (resid 27 and name HA))
        ((resid 31 and name HA)
        OR (resid 31 and name HA)
        OR (resid 34 and name HA)) 
        3.33442  1.63442  0.915577
assign ((resid 28 and name HA)
        OR (resid 27 and name HA))
        ((resid 30 and name HN)
        OR (resid 30 and name HN)) 
        4.13842  2.43842  1.36158
assign ((resid 7 and name HB)
        OR (resid 46 and name HG+))
        ((resid 7 and name HA)
        OR (resid 7 and name HA)) 
        2.99255  1.29255  1.00745
assign ((resid 7 and name HA))
        ((resid 6 and name HA)) 
        3.81188  2.11188  1.68812
assign ((resid 24 and name HA))
        ((resid 23 and name HD2#)) 
        4.14874  2.44874  1.35126
assign ((resid 23 and name HA))
        ((resid 23 and name HD2*)) 
        4.06429  2.36429  1.43571
assign ((resid 23 and name HA))
        ((resid 23 and name HD2#)) 
        3.80824  2.10824  1.69176
assign ((resid 13 and name HA))
        ((resid 11 and name HE*)) 
        4.10062  2.40062  1.39938
assign ((resid 43 and name HA))
        ((resid 40 and name HN)) 
        4.17287  2.47287  1.32713
assign ((resid 24 and name HB#))
        ((resid 21 and name HE2*)) 
        3.98555  2.28555  1.51445
assign ((resid 10 and name HB*)
        OR (resid 8 and name HB#))
        ((resid 11 and name HN)
        OR (resid 11 and name HN)) 
        4.29838  2.59838  1.20162
assign ((resid 43 and name HD+))
        ((resid 43 and name HE)) 
        3.01231  1.31231  0.987687
assign ((resid 42 and name HG*)
        OR (resid 19 and name HB+))
        ((resid 42 and name HE+)
        OR (resid 20 and name HB#)) 
        3.05125  1.35125  0.948751
assign ((resid 16 and name HB1))
        ((resid 37 and name HB2)) 
        4.3131  2.6131  1.1869
assign ((resid 44 and name HB2)
        OR (resid 27 and name HE*))
        ((resid 46 and name HE2#)
        OR (resid 23 and name HD2#)) 
        3.79693  2.09693  1.70307
assign ((resid 26 and name HB2)
        OR (resid 51 and name HB2))
        ((resid 51 and name HE+)
        OR (resid 51 and name HE+)) 
        3.63831  1.93831  3.64169
assign ((resid 26 and name HB2))
        ((resid 35 and name HA#)) 
        3.36905  1.66905  0.880951
assign ((resid 39 and name HB+))
        ((resid 44 and name HN)) 
        3.75392  2.05392  1.74608
!
!manually added 45-39, 33-26, 12/3/97
!
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG)
        OR (resid 33 and name HB*)
        OR (resid 33 and name HB*))
        ((resid 39 and name HB+)
        OR (resid 39 and name HB+)
        OR (resid 26 and name HB2)
        OR (resid 51 and name HB2)) 
        2.86785  1.16785  1.13215
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 5 and name HE+)
        OR (resid 5 and name HE+)) 
        3.30657  1.60657  0.943432
assign ((resid 45 and name HD*))
        ((resid 39 and name HB+)) 
        4.62064  2.92064  0.879355
assign ((resid 29 and name HB1)
        OR (resid 25 and name HB2)
        OR (resid 11 and name HB#)
        OR (resid 22 and name HB#))
        ((resid 26 and name HN)
        OR (resid 26 and name HN)
        OR (resid 10 and name HN)
        OR (resid 26 and name HN)) 
        3.27626  1.57626  0.973739
assign ((resid 40 and name HB1)
        OR (resid 22 and name HB#))
        ((resid 40 and name HA)
        OR (resid 16 and name HA)) 
        2.40669  0.706689  0.793311
assign ((resid 20 and name HB*))
        ((resid 24 and name HD+)) 
        3.67262  1.97262  1.82738
assign ((resid 20 and name HB*))
        ((resid 19 and name HN)) 
        3.51957  1.81957  1.98043
assign ((resid 11 and name HB*))
        ((resid 11 and name HE*)) 
        3.9002  2.2002  1.5998
assign ((resid 23 and name HB1)
        OR (resid 11 and name HB*)
        OR (resid 8 and name HB*))
        ((resid 25 and name HN)
        OR (resid 9 and name HN)
        OR (resid 9 and name HN)) 
        3.52528  1.82528  1.97472
assign ((resid 15 and name HG#))
        ((resid 15 and name HE#)) 
        2.99486  1.29486  1.00514
assign ((resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 11 and name HE*)
        OR (resid 11 and name HE*)) 
        3.694  1.994  1.806
assign ((resid 22 and name HB*)
        OR (resid 47 and name HB1))
        ((resid 11 and name HE#)
        OR (resid 11 and name HE#)) 
        4.36487  2.66487  1.13513
assign ((resid 41 and name HG+))
        ((resid 42 and name HN)) 
        4.57034  2.87034  0.92966
!
! manually added 19-17
! 12/14/97
!
! manually removed; weak, probably noise
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 19 and name HB+)
! OR (resid 42 and name HG*))
!((NOT ALL)
! OR (resid 17 and name HG#) 
! OR (resid 41 and name HG+)) 
!       3.29173  1.59173  0.958268
!
! manually added 7-41
! 12/11/97
!
assign ((resid 7 and name HG2*)
        OR (resid 7 and name HG2*))
        ((resid 41 and name HB#) 
        OR (resid 46 and name HB#)) 
        2.99923  1.29923  1.00077
assign ((resid 30 and name HB2))
        ((resid 31 and name HN)) 
        4.38684  2.68684  1.11316
assign ((resid 33 and name HD*)
        OR (resid 26 and name HB1)
        OR (resid 26 and name HB1)
        OR (resid 50 and name HB*)
        OR (resid 50 and name HB*))
        ((resid 33 and name HN)
        OR (resid 36 and name HN)
        OR (resid 33 and name HN)
        OR (resid 36 and name HN)
        OR (resid 33 and name HN)) 
        3.64286  1.94286  1.85714
assign ((resid 17 and name HB1))
        ((resid 16 and name HN)) 
        3.81136  2.11136  3.46864
assign ((resid 53 and name HG#))
        ((resid 54 and name HD+)) 
        4.5219  2.8219  0.978097
assign ((resid 53 and name HG#))
        ((resid 54 and name HD+)) 
        4.5219  2.8219  0.978097
assign ((resid 30 and name HG#))
        ((resid 30 and name HE+)) 
        3.16121  1.46121  0.838786
assign ((resid 9 and name HB#))
        ((resid 9 and name HA)) 
        2.73157  1.03157  1.26843
assign ((resid 13 and name HG*))
        ((resid 46 and name HG+)) 
        3.26181  1.56181  0.988188
assign ((resid 36 and name HB#)
        OR (resid 7 and name HB)
        OR (resid 21 and name HB#))
        ((resid 38 and name HA)
        OR (resid 6 and name HA)
        OR (resid 16 and name HA)) 
        2.85903  1.15903  1.14097
assign ((resid 36 and name HB#))
        ((resid 37 and name HB2)) 
        4.15158  2.45158  1.34842
assign ((resid 46 and name HB*))
        ((resid 46 and name HA)) 
        3.2173  1.5173  0.782705
assign ((resid 5 and name HB+))
        ((resid 6 and name HN)) 
        4.34625  2.64625  1.15375
assign ((resid 18 and name HG))
        ((resid 17 and name HN)) 
        4.35682  2.65682  1.14318
assign ((resid 27 and name HD#)
        OR (resid 47 and name HB2))
        ((resid 23 and name HD2#)
        OR (resid 11 and name HN)) 
        3.84977  2.14977  1.65023
assign ((resid 12 and name HG#))
        ((resid 13 and name HN)) 
        4.1709  2.4709  1.3291
assign ((resid 6 and name HD*))
        ((resid 51 and name HD+)) 
        3.60048  1.90048  1.89952
!
! manually added 3-3 and 6-
! 10/10/97
!
assign ((resid 3 and name HG+)
        OR (resid 6 and name HD*)
        OR (resid 5 and name HD*))
        ((resid 3 and name HN)
        OR (resid 3 and name HN)
        OR (resid 49 and name HN)) 
        2.93561  1.23561  1.06439
assign ((resid 42 and name HG#)
        OR (resid 43 and name HG*))
        ((resid 43 and name HN)
        OR (resid 43 and name HN)) 
        3.52137  1.82137  1.97863
assign ((resid 43 and name HG*))
        ((resid 43 and name HE)) 
        3.2165  1.5165  0.783502
assign ((resid 28 and name HB*))
        ((resid 30 and name HN)) 
        4.1818  2.4818  1.3182
assign ((resid 27 and name HB2)
        OR (resid 33 and name HB#))
        ((resid 34 and name HA)
        OR (resid 34 and name HA)) 
        3.49963  1.79963  0.750371
assign ((resid 6 and name HG+)
        OR (resid 19 and name HB+))
        ((resid 4 and name HA)
        OR (resid 20 and name HA)) 
        3.72069  2.02069  1.77931
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 46 and name HN)
        OR (resid 46 and name HN)) 
        3.24576  1.54576  0.754243
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 31 and name HN)
        OR (resid 31 and name HN)) 
        4.04893  2.34893  1.45107
assign ((resid 7 and name HG2*))
        ((resid 46 and name HE2*)) 
        3.53076  1.83076  1.96924
!
! upper bound needs to be lengthened; other
! restraint 7 HG2* to 6 HA exists and is a
! shorter distance
! changed upper bound from 0.76 to 1.76
! 12/10/97
!
assign ((resid 7 and name HG2*))
        ((resid 6 and name HA)) 
        3.4891  1.7891  1.760896
assign ((resid 18 and name HD#))
        ((resid 17 and name HN)) 
        4.58351  2.88351  0.916492
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HG2+)
        OR (resid 48 and name HD1+))
        ((resid 8 and name HN)
        OR (resid 47 and name HN)
        OR (resid 8 and name HN)) 
        4.51674  2.81674  0.983262
assign ((resid 48 and name HG2+)
        OR (resid 48 and name HG2+)
        OR (resid 48 and name HD1+)
        OR (resid 48 and name HD1+))
        ((resid 6 and name HA)
        OR (resid 38 and name HA)
        OR (resid 6 and name HA)
        OR (resid 38 and name HA)) 
        2.99952  1.29952  1.00048
assign ((resid 45 and name HD*)
        OR (resid 45 and name HD*))
        ((resid 38 and name HA)
        OR (resid 16 and name HA)) 
        3.60648  1.90648  1.89352
assign ((resid 45 and name HD*))
        ((resid 17 and name HG#)) 
        3.84143  2.14143  1.65857
assign ((resid 45 and name HD#)
        OR (resid 45 and name HD#))
        ((resid 38 and name HA)
        OR (resid 16 and name HA)) 
        3.46279  1.76279  0.787208
assign ((resid 41 and name HA))
        ((resid 43 and name HN)) 
        3.56952  1.86952  1.93048
assign ((resid 40 and name HB2)
        OR (resid 40 and name HB2))
        ((resid 45 and name HA)
        OR (resid 41 and name HA)) 
        3.81767  2.11767  1.68233
assign ((resid 45 and name HA))
        ((resid 46 and name HA)) 
        4.17981  2.47981  1.32019
!
! added manually 23-26
! 10/9/97
! added manually 23-33
! 12/14/97
!
assign ((resid 23 and name HB2)
        OR (resid 23 and name HB2)
        OR (resid 23 and name HB2))
        ((resid 33 and name HA)
        OR (resid 26 and name HA)
        OR (resid 19 and name HA)) 
        2.49996  0.799965  0.700035
assign ((resid 15 and name HB*))
        ((resid 14 and name HB*)) 
        4.30081  2.60081  1.19919
assign ((resid 51 and name HB1))
        ((resid 4 and name HA)) 
        3.50658  1.80658  1.99342
assign ((resid 43 and name HD+)
        OR (resid 23 and name HB2))
        ((resid 39 and name HD+)
        OR (resid 23 and name HD2*)) 
        3.6079  1.9079  1.8921
assign ((resid 42 and name HE+))
        ((resid 42 and name HN)) 
        3.50687  1.80687  1.99313
assign ((resid 45 and name HB*)
        OR (resid 45 and name HG))
        ((resid 16 and name HB1)
        OR (resid 16 and name HB1)) 
        2.88938  1.18938  1.11062
assign ((resid 39 and name HB+))
        ((resid 38 and name HD+)) 
        3.90389  2.20389  1.59611
assign ((resid 30 and name HG*)
        OR (resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 29 and name HB1)
        OR (resid 25 and name HB2)
        OR (resid 29 and name HB1)) 
        3.14664  1.44664  0.853359
assign ((resid 15 and name HG#)
        OR (resid 15 and name HG#))
        ((resid 15 and name HE*)
        OR (resid 21 and name HG*)) 
        3.17395  1.47395  0.826054
!
! manually added 13-22
! 12/14/97
!
! manually removed; weak peak, poss. noise
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 13 and name HG*)
! OR (resid 13 and name HG*))
!((NOT ALL)
! OR (resid 22 and name HB*)
! OR (resid 47 and name HB1)) 
!       3.76868  2.06868  1.73132
assign ((resid 33 and name HD*)
        OR (resid 26 and name HB1)
        OR (resid 26 and name HB1)
        OR (resid 50 and name HB*))
        ((resid 34 and name HN)
        OR (resid 34 and name HN)
        OR (resid 23 and name HN)
        OR (resid 34 and name HN)) 
        4.12646  2.42646  1.37354
assign ((resid 33 and name HD*))
        ((resid 52 and name HA)) 
        3.76916  2.06916  1.73084
assign ((resid 1 and name HB*))
        ((resid 1 and name HN)) 
        4.29717  2.59717  1.20283
assign ((resid 43 and name HB+)
        OR (resid 46 and name HG+))
        ((resid 39 and name HE+)
        OR (resid 46 and name HE2*)) 
        3.48239  1.78239  0.767605
assign ((resid 5 and name HD*)
        OR (resid 6 and name HD*))
        ((resid 7 and name HN)
        OR (resid 7 and name HN)) 
        3.76627  2.06627  1.73373
assign ((resid 5 and name HG#)
        OR (resid 6 and name HG+))
        ((resid 6 and name HA)
        OR (resid 6 and name HA)) 
        3.22388  1.52388  0.776117
assign ((resid 5 and name HG*))
        ((resid 5 and name HN)) 
        3.7634  2.0634  1.7366
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 51 and name HE+)
        OR (resid 51 and name HE+)) 
        4.49317  2.79317  1.00683
assign ((resid 30 and name HG*)
        OR (resid 30 and name HD*))
        ((resid 8 and name HA)
        OR (resid 8 and name HA)) 
        3.88685  2.18685  1.61315
assign ((resid 13 and name HG*)
        OR (resid 27 and name HG+))
        ((resid 11 and name HN)
        OR (resid 23 and name HD2#)) 
        4.71791  3.01791  1.15709
assign ((resid 7 and name HG1*))
        ((resid 48 and name HB)) 
        4.50992  2.80992  0.990085
assign ((resid 33 and name HG*))
        ((resid 52 and name HA)) 
        3.65518  1.95518  1.84482
!
! manually added 4-53
! 12/14/97
!
assign ((resid 4 and name HB2)
        OR (resid 23 and name HB2)
        OR (resid 4 and name HB2))
        ((resid 53 and name HA)
        OR (resid 22 and name HA)
        OR (resid 3 and name HA)) 
        2.62076  0.920762  1.37924
assign ((resid 26 and name HB2))
        ((resid 35 and name HA#)) 
        2.91528  1.21528  1.08472
!
! manually added 33-23,28-23,33-23
! 12/14/97
!
! manually removed, T1 noise
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 33 and name HB#)
! OR (resid 28 and name HB*)
! OR (resid 33 and name HG#)
! OR (resid 27 and name HB2))
!((NOT ALL)
! OR (resid 23 and name HA) 
! OR (resid 23 and name HA) 
! OR (resid 23 and name HA) 
! OR (resid 23 and name HA)) 
!       3.1712  1.4712  0.828802

!
! added 45 HG#
! see JEC.lab5, p 112
! also 27-23
!
assign ((resid 45 and name HB#)
        OR (resid 45 and name HG#)
        OR (resid 27 and name HD*))
        ((resid 13 and name HA)
        OR (resid 13 and name HA)
        OR (resid 23 and name HA)) 
        3.46681  1.76681  0.783188
assign ((resid 12 and name HB*))
        ((resid 12 and name HD#)) 
        3.37727  1.67727  0.87273
!
! manually added : 36-50, 36-38
! 12/10/97
! very weak, manually removed
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 21 and name HB#)
! OR (resid 36 and name HG+)
! OR (resid 36 and name HG+))
!((NOT ALL)
! OR (resid 24 and name HB*) 
! OR (resid 50 and name HB#) 
! OR (resid 38 and name HB#)) 
!       3.19625  1.49625  0.803752
assign ((resid 46 and name HA))
        ((resid 47 and name HN)) 
        2.54305  0.843054  1.45695
assign ((resid 20 and name HA))
        ((resid 20 and name HN)) 
        2.5277  0.827698  1.4723
assign ((resid 25 and name HA))
        ((resid 25 and name HN)) 
        3.20053  1.50053  0.799466
assign ((resid 24 and name HD+))
        ((resid 25 and name HN)) 
        3.70161  2.00161  1.79839
assign ((resid 38 and name HD+))
        ((resid 38 and name HN)) 
        3.48073  1.78073  0.769269
assign ((resid 37 and name HN)
        OR (resid 39 and name HN))
        ((resid 38 and name HN)
        OR (resid 38 and name HN)) 
        4.52018  2.82018  0.979823
assign ((resid 40 and name HA))
        ((resid 41 and name HN)) 
        2.47808  0.778084  0.721916
assign ((resid 25 and name HA))
        ((resid 29 and name HN)) 
        3.36773  1.66773  0.88227
assign ((resid 6 and name HA))
        ((resid 7 and name HN)) 
        2.43687  0.73687  0.76313
assign ((resid 38 and name HA)
        OR (resid 38 and name HA)
        OR (resid 40 and name HA))
        ((resid 37 and name HN)
        OR (resid 39 and name HN)
        OR (resid 39 and name HN)) 
        2.48198  0.78198  0.71802
assign ((resid 34 and name HA))
        ((resid 35 and name HN)) 
        2.82419  1.12419  1.17581
assign ((resid 39 and name HD+))
        ((resid 45 and name HN)) 
        3.54314  1.84314  1.95686
assign ((resid 44 and name HA))
        ((resid 45 and name HN)) 
        2.41428  0.714279  0.785721
assign ((resid 4 and name HA))
        ((resid 4 and name HN)) 
        2.91898  1.21898  1.08102
assign ((resid 3 and name HA))
        ((resid 4 and name HN)) 
        2.96465  1.26465  1.03535
assign ((resid 2 and name HA)
        OR (resid 2 and name HA))
        ((resid 3 and name HN)
        OR (resid 2 and name HN)) 
        2.54782  0.847821  1.45218
assign ((resid 25 and name HA))
        ((resid 28 and name HN)) 
        3.06093  1.36093  0.939066
assign ((resid 34 and name HA))
        ((resid 34 and name HN)) 
        2.88541  1.18541  1.11459
assign ((resid 16 and name HA))
        ((resid 18 and name HN)) 
        3.00612  1.30612  0.993881
assign ((resid 38 and name HA))
        ((resid 38 and name HD+)) 
        2.85507  1.15507  1.14493
assign ((resid 31 and name HA))
        ((resid 31 and name HD2)) 
        3.90948  2.20948  1.59052
assign ((resid 30 and name HA))
        ((resid 31 and name HD2)) 
        4.16407  2.46407  1.33593
assign ((resid 25 and name HA))
        ((resid 24 and name HD+)) 
        3.24848  1.54848  0.75152
assign ((resid 54 and name HE+))
        ((resid 54 and name HD+)) 
        2.28787  0.587873  0.712127
assign ((resid 31 and name HA))
        ((resid 31 and name HN)) 
        2.45743  0.757429  0.742571
assign ((resid 38 and name HA))
        ((resid 39 and name HD+)) 
        2.78474  1.08474  1.21526
assign ((resid 39 and name HB+)
        OR (resid 26 and name HB2))
        ((resid 39 and name HD+)
        OR (resid 23 and name HD2*)) 
        2.36101  0.661015  0.838985
assign ((resid 25 and name HA)
        OR (resid 25 and name HA))
        ((resid 8 and name HE+)
        OR (resid 24 and name HE+)) 
        2.81213  1.11213  1.18787
assign ((resid 39 and name HB+))
        ((resid 39 and name HE+)) 
        3.00821  1.30821  0.991793
assign ((resid 31 and name HA))
        ((resid 30 and name HN)) 
        3.56329  1.86329  1.93671
assign ((resid 30 and name HA))
        ((resid 30 and name HN)) 
        2.96348  1.26348  1.03652
assign ((resid 50 and name HA))
        ((resid 51 and name HD+)) 
        3.02539  1.32539  0.97461
assign ((resid 28 and name HN))
        ((resid 26 and name HN)) 
        3.94824  2.24824  1.55176
assign ((resid 11 and name HD*))
        ((resid 47 and name HN)) 
        4.33715  2.63715  1.16285
assign ((resid 37 and name HA))
        ((resid 47 and name HN)) 
        4.41107  2.71107  1.08893
assign ((resid 9 and name HN))
        ((resid 8 and name HN)) 
        4.56109  2.86109  0.938907
assign ((resid 43 and name HN))
        ((resid 41 and name HN)) 
        4.50316  2.80316  0.996836
assign ((resid 6 and name HA))
        ((resid 6 and name HN)) 
        3.41963  1.71963  0.830374
assign ((resid 39 and name HD+)
        OR (resid 23 and name HD2*))
        ((resid 44 and name HN)
        OR (resid 35 and name HN)) 
        3.83484  2.13484  1.66516
assign ((resid 40 and name HN))
        ((resid 44 and name HN)) 
        4.17583  2.47583  1.32417
assign ((resid 30 and name HA))
        ((resid 31 and name HE1)) 
        4.59501  2.89501  0.90499
assign ((resid 30 and name HA))
        ((resid 31 and name HE1)) 
        4.59501  2.89501  0.90499
assign ((resid 49 and name HA))
        ((resid 49 and name HN)) 
        3.53691  1.83691  1.96309
assign ((resid 21 and name HB*))
        ((resid 22 and name HN)) 
        3.44858  1.74858  0.801417
assign ((resid 43 and name HN))
        ((resid 40 and name HN)) 
        5.22589  3.52589  0.5
assign ((resid 36 and name HN)
        OR (resid 33 and name HN))
        ((resid 50 and name HN)
        OR (resid 50 and name HN)) 
        3.68403  1.98403  1.81597
assign ((resid 21 and name HG*)
        OR (resid 49 and name HB#))
        ((resid 21 and name HN)
        OR (resid 27 and name HN)) 
        3.58188  1.88188  1.91812
assign ((resid 12 and name HD*))
        ((resid 11 and name HN)) 
        3.91261  2.21261  1.58739
assign ((resid 16 and name HA))
        ((resid 17 and name HN)) 
        2.83438  1.13438  1.16562
assign ((resid 4 and name HA))
        ((resid 51 and name HD+)) 
        3.51067  1.81067  1.98933
assign ((resid 38 and name HB*))
        ((resid 38 and name HE+)) 
        3.35026  1.65026  0.899743
!
! manually added 19-18
! 12/14/97
!
assign ((resid 19 and name HB+)
        OR (resid 6 and name HG+))
        ((resid 18 and name HN) 
        OR (resid 51 and name HD+)) 
        3.15338  1.45338  0.846617
assign ((resid 38 and name HB#))
        ((resid 38 and name HE+)) 
        3.6832  1.9832  1.8168
assign ((resid 48 and name HA))
        ((resid 38 and name HD+)) 
        4.07254  2.37254  1.42746
assign ((resid 31 and name HN))
        ((resid 31 and name HD2)) 
        3.25553  1.55553  0.994469
assign ((resid 28 and name HA))
        ((resid 31 and name HD2)) 
        4.22642  2.52642  1.27358
assign ((resid 10 and name HD2#))
        ((resid 10 and name HN)) 
        4.97447  3.27447  0.900534
assign ((resid 44 and name HA))
        ((resid 39 and name HD+)) 
        3.03345  1.33345  0.966548
assign ((resid 8 and name HB#)
        OR (resid 52 and name HB2))
        ((resid 8 and name HE+)
        OR (resid 54 and name HE+)) 
        3.67545  1.97545  1.82455
assign ((resid 30 and name HE+))
        ((resid 8 and name HE+)) 
        3.35451  1.65451  0.895488
assign ((resid 9 and name HG+))
        ((resid 8 and name HE+)) 
        3.52107  1.82107  1.97893
assign ((resid 39 and name HE+))
        ((resid 39 and name HN)) 
        3.70589  2.00589  1.79411
assign ((resid 43 and name HA))
        ((resid 39 and name HE+)) 
        3.72069  2.02069  1.77931
assign ((resid 25 and name HA))
        ((resid 26 and name HN)) 
        3.82512  2.12512  1.67488
assign ((resid 46 and name HB*))
        ((resid 38 and name HN)) 
        4.04101  2.34101  1.45899
assign ((resid 40 and name HN))
        ((resid 41 and name HN)) 
        4.26764  2.56764  1.23236
assign ((resid 49 and name HA)
        OR (resid 49 and name HA))
        ((resid 35 and name HN)
        OR (resid 48 and name HN)) 
        4.31186  2.61186  1.18814
assign ((resid 49 and name HN))
        ((resid 6 and name HN)) 
        4.02015  2.32015  1.47985
assign ((resid 46 and name HN)
        OR (resid 49 and name HN))
        ((resid 47 and name HN)
        OR (resid 8 and name HN)) 
        3.6787  1.9787  1.8213
assign ((resid 37 and name HA))
        ((resid 46 and name HN)) 
        3.85824  2.15824  1.64176
assign ((resid 11 and name HE*)
        OR (resid 11 and name HE*))
        ((resid 15 and name HN)
        OR (resid 16 and name HN)) 
        3.84253  2.14253  1.65747
assign ((resid 27 and name HN)
        OR (resid 21 and name HN))
        ((resid 23 and name HN)
        OR (resid 23 and name HN)) 
        5.10335  3.40335  0.5
assign ((resid 24 and name HD+)
        OR (resid 24 and name HD+))
        ((resid 27 and name HN)
        OR (resid 21 and name HN)) 
        3.49136  1.79136  0.758639
assign ((resid 17 and name HG#)
        OR (resid 21 and name HB*))
        ((resid 18 and name HN)
        OR (resid 18 and name HN)) 
        3.4588  1.7588  0.791196
assign ((resid 51 and name HD+))
        ((resid 52 and name HN)) 
        3.83648  2.13648  1.66352
!
! manually added 12-20
! 12/14/97
!
! manually removed, weak peak, maybe noise
! 12/15/97
!
!assign ((NOT ALL)
! OR (resid 12 and name HD#)
! OR (resid 52 and name HB1))
!((NOT ALL)
! OR (resid 20 and name HD2*) 
! OR (resid 54 and name HD+)) 
!       4.37989  2.67989  1.12011

assign ((resid 8 and name HE+))
        ((resid 8 and name HD+)) 
        1.61838  -0.0616246  0.601625
assign ((resid 28 and name HG))
        ((resid 24 and name HE+)) 
        3.89106  2.19106  1.60894
assign ((resid 54 and name HB#))
        ((resid 54 and name HE+)) 
        3.39368  1.69368  0.856321
!
! check for 8-29, 10/9/97
!
assign ((resid 8 and name HE+)
        OR (resid 24 and name HE+))
        ((resid 29 and name HN)
        OR (resid 29 and name HN)) 
        3.84865  2.14865  1.65135
assign ((resid 12 and name HD#)
        OR (resid 52 and name HB1))
        ((resid 8 and name HE+)
        OR (resid 54 and name HE+)) 
        3.80358  2.10358  3.47642
assign ((resid 46 and name HB*))
        ((resid 46 and name HE2*)) 
        3.85202  2.15202  1.64798
assign ((resid 21 and name HE2*))
        ((resid 25 and name HN)) 
        4.1808  2.4808  1.3192
assign ((resid 36 and name HA)
        OR (resid 36 and name HA))
        ((resid 35 and name HN)
        OR (resid 48 and name HN)) 
        4.02243  2.32243  1.47757
assign ((resid 39 and name HD+))
        ((resid 46 and name HN)) 
        4.08684  2.38684  1.41316
assign ((resid 49 and name HB*)
        OR (resid 49 and name HB*))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)) 
        4.11385  2.41385  1.38615
assign ((resid 31 and name HA)
        OR (resid 34 and name HA))
        ((resid 32 and name HN)
        OR (resid 27 and name HN)) 
        3.92595  2.22595  1.57405


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1 -14.023 -19.026  -4.607
    2    HA   PCA   1           HA       PCA   1 -15.465 -18.611  -2.525
    3   1HB   PCA   1          1HB       PCA   1 -15.259 -16.574  -1.558
    4   2HB   PCA   1          2HB       PCA   1 -15.754 -15.756  -3.059
    5   1HG   PCA   1          1HG       PCA   1 -13.061 -16.203  -2.008
    6   2HG   PCA   1          2HG       PCA   1 -13.557 -15.228  -3.403
    7    H    ASP   2           H        ASP   2 -17.593 -18.906  -2.889
    8    HA   ASP   2           HA       ASP   2 -18.571 -18.661  -5.585
    9   1HB   ASP   2          2HB       ASP   2 -20.262 -19.431  -3.220
   10   2HB   ASP   2          1HB       ASP   2 -20.402 -19.958  -4.895
   11    H    LYS   3           H        LYS   3 -18.169 -16.389  -3.359
   12    HA   LYS   3           HA       LYS   3 -20.268 -14.728  -4.449
   13   1HB   LYS   3          2HB       LYS   3 -21.696 -15.060  -2.733
   14   2HB   LYS   3          1HB       LYS   3 -20.482 -15.920  -1.801
   15   1HG   LYS   3          2HG       LYS   3 -19.642 -13.887  -0.879
   16   2HG   LYS   3          1HG       LYS   3 -20.640 -12.918  -1.962
   17   1HD   LYS   3          2HD       LYS   3 -21.729 -14.823   0.109
   18   2HD   LYS   3          1HD       LYS   3 -21.518 -13.089   0.368
   19   1HE   LYS   3          2HE       LYS   3 -23.589 -14.533  -1.135
   20   2HE   LYS   3          1HE       LYS   3 -23.647 -12.946  -0.370
   21   1HZ   LYS   3          2HZ       LYS   3 -22.121 -13.342  -2.860
   22   2HZ   LYS   3          1HZ       LYS   3 -23.797 -13.113  -2.914
   23   3HZ   LYS   3          3HZ       LYS   3 -22.800 -11.923  -2.241
   24    H    CYS   4           H        CYS   4 -19.918 -12.491  -4.120
   25    HA   CYS   4           HA       CYS   4 -17.547 -11.656  -2.693
   26   1HB   CYS   4          2HB       CYS   4 -17.456 -12.158  -5.508
   27   2HB   CYS   4          1HB       CYS   4 -17.287 -10.424  -5.255
   28    H    LYS   5           H        LYS   5 -20.531 -11.228  -2.803
   29    HA   LYS   5           HA       LYS   5 -20.426  -8.311  -2.622
   30   1HB   LYS   5          2HB       LYS   5 -22.664  -8.208  -3.791
   31   2HB   LYS   5          1HB       LYS   5 -21.285  -8.558  -4.817
   32   1HG   LYS   5          2HG       LYS   5 -22.776 -10.865  -3.702
   33   2HG   LYS   5          1HG       LYS   5 -23.560  -9.922  -4.970
   34   1HD   LYS   5          2HD       LYS   5 -20.730 -10.754  -5.373
   35   2HD   LYS   5          1HD       LYS   5 -21.992 -11.976  -5.538
   36   1HE   LYS   5          2HE       LYS   5 -23.034 -10.816  -7.298
   37   2HE   LYS   5          1HE       LYS   5 -22.142  -9.334  -6.958
   38   1HZ   LYS   5          1HZ       LYS   5 -20.343 -11.444  -7.514
   39   2HZ   LYS   5          3HZ       LYS   5 -21.474 -11.322  -8.765
   40   3HZ   LYS   5          2HZ       LYS   5 -20.546  -9.978  -8.331
   41    H    LYS   6           H        LYS   6 -21.231  -7.693  -0.733
   42    HA   LYS   6           HA       LYS   6 -22.969  -9.542   0.745
   43   1HB   LYS   6          2HB       LYS   6 -21.110  -7.341   1.559
   44   2HB   LYS   6          1HB       LYS   6 -22.405  -7.835   2.643
   45   1HG   LYS   6          2HG       LYS   6 -20.246  -8.939   3.109
   46   2HG   LYS   6          1HG       LYS   6 -21.550 -10.070   2.745
   47   1HD   LYS   6          2HD       LYS   6 -20.677 -10.605   0.662
   48   2HD   LYS   6          1HD       LYS   6 -19.733  -9.116   0.566
   49   1HE   LYS   6          2HE       LYS   6 -18.179  -9.923   2.201
   50   2HE   LYS   6          1HE       LYS   6 -19.185 -11.330   2.535
   51   1HZ   LYS   6          3HZ       LYS   6 -18.808 -11.737  -0.012
   52   2HZ   LYS   6          2HZ       LYS   6 -17.424 -10.802   0.256
   53   3HZ   LYS   6          1HZ       LYS   6 -17.658 -12.231   1.128
   54    H    VAL   7           H        VAL   7 -25.057  -9.147   1.002
   55    HA   VAL   7           HA       VAL   7 -26.286  -6.878  -0.143
   56    HB   VAL   7           HB       VAL   7 -28.303  -7.853   0.275
   57   1HG1  VAL   7          2HG1      VAL   7 -26.866  -9.480  -0.855
   58   2HG1  VAL   7          1HG1      VAL   7 -26.446 -10.185   0.706
   59   3HG1  VAL   7          3HG1      VAL   7 -28.108 -10.263   0.123
   60   1HG2  VAL   7          1HG2      VAL   7 -27.169  -8.862   2.881
   61   2HG2  VAL   7          3HG2      VAL   7 -28.421  -7.641   2.644
   62   3HG2  VAL   7          2HG2      VAL   7 -28.754  -9.331   2.267
   63    H    TYR   8           H        TYR   8 -26.733  -4.938   0.660
   64    HA   TYR   8           HA       TYR   8 -25.754  -4.108   3.164
   65   1HB   TYR   8          2HB       TYR   8 -26.372  -2.701   1.058
   66   2HB   TYR   8          1HB       TYR   8 -27.990  -2.676   1.750
   67    HD1  TYR   8           HD2      TYR   8 -28.013  -1.988   4.350
   68    HD2  TYR   8           HD1      TYR   8 -24.984  -0.944   1.552
   69    HE1  TYR   8           HE2      TYR   8 -27.374  -0.087   5.762
   70    HE2  TYR   8           HE1      TYR   8 -24.334   0.961   2.957
   71    HH   TYR   8           HH       TYR   8 -24.735   2.100   4.816
   72    H    GLU   9           H        GLU   9 -26.706  -5.913   4.412
   73    HA   GLU   9           HA       GLU   9 -28.575  -7.000   5.410
   74   1HB   GLU   9          2HB       GLU   9 -28.420  -4.398   6.915
   75   2HB   GLU   9          1HB       GLU   9 -28.724  -6.011   7.552
   76   1HG   GLU   9          2HG       GLU   9 -26.545  -5.755   8.164
   77   2HG   GLU   9          1HG       GLU   9 -26.324  -6.483   6.571
   78    H    ASN  10           H        ASN  10 -30.188  -4.605   6.874
   79    HA   ASN  10           HA       ASN  10 -32.609  -5.018   5.529
   80   1HB   ASN  10          2HB       ASN  10 -32.477  -4.128   7.832
   81   2HB   ASN  10          1HB       ASN  10 -31.801  -2.627   7.208
   82   1HD2  ASN  10          2HD2      ASN  10 -35.299  -1.864   7.688
   83   2HD2  ASN  10          1HD2      ASN  10 -33.858  -2.113   8.609
   84    H    TYR  11           H        TYR  11 -32.581  -1.749   5.672
   85    HA   TYR  11           HA       TYR  11 -31.971  -0.045   4.201
   86   1HB   TYR  11          2HB       TYR  11 -30.338  -1.707   3.113
   87   2HB   TYR  11          1HB       TYR  11 -31.636  -2.011   1.958
   88    HD1  TYR  11           HD1      TYR  11 -32.626   0.059   0.757
   89    HD2  TYR  11           HD2      TYR  11 -28.868   0.062   2.751
   90    HE1  TYR  11           HE1      TYR  11 -31.940   2.027  -0.547
   91    HE2  TYR  11           HE2      TYR  11 -28.172   2.030   1.453
   92    HH   TYR  11           HH       TYR  11 -29.135   2.971  -1.129
   93    HA   PRO  12           HA       PRO  12 -36.465  -0.360   3.224
   94   1HB   PRO  12          2HB       PRO  12 -35.899   2.552   2.868
   95   2HB   PRO  12          1HB       PRO  12 -37.251   1.760   3.685
   96   1HG   PRO  12          2HG       PRO  12 -35.275   2.867   5.087
   97   2HG   PRO  12          1HG       PRO  12 -36.019   1.342   5.604
   98   1HD   PRO  12          2HD       PRO  12 -33.375   1.821   4.315
   99   2HD   PRO  12          1HD       PRO  12 -33.844   0.593   5.510
  100    H    VAL  13           H        VAL  13 -36.805  -1.165   1.241
  101    HA   VAL  13           HA       VAL  13 -35.327  -0.747  -1.042
  102    HB   VAL  13           HB       VAL  13 -38.284  -1.355  -0.909
  103   1HG1  VAL  13          2HG1      VAL  13 -36.272  -1.737  -3.121
  104   2HG1  VAL  13          1HG1      VAL  13 -37.891  -2.434  -3.112
  105   3HG1  VAL  13          3HG1      VAL  13 -37.686  -0.683  -3.137
  106   1HG2  VAL  13          3HG2      VAL  13 -35.833  -3.022  -0.592
  107   2HG2  VAL  13          2HG2      VAL  13 -37.360  -3.085   0.288
  108   3HG2  VAL  13          1HG2      VAL  13 -37.260  -3.728  -1.350
  109    H    SER  14           H        SER  14 -38.331   0.889  -0.104
  110    HA   SER  14           HA       SER  14 -39.438   2.585  -1.320
  111   1HB   SER  14          2HB       SER  14 -38.600   4.644  -0.412
  112   2HB   SER  14          1HB       SER  14 -38.346   3.381   0.792
  113    HG   SER  14           HG       SER  14 -36.531   4.887   0.274
  114    H    LYS  15           H        LYS  15 -36.102   3.700  -1.716
  115    HA   LYS  15           HA       LYS  15 -36.595   4.807  -4.258
  116   1HB   LYS  15          2HB       LYS  15 -34.825   5.563  -2.679
  117   2HB   LYS  15          1HB       LYS  15 -33.907   4.113  -3.058
  118   1HG   LYS  15          2HG       LYS  15 -32.932   5.645  -4.456
  119   2HG   LYS  15          1HG       LYS  15 -34.157   4.951  -5.519
  120   1HD   LYS  15          2HD       LYS  15 -35.665   6.819  -4.959
  121   2HD   LYS  15          1HD       LYS  15 -34.391   7.523  -3.960
  122   1HE   LYS  15          2HE       LYS  15 -34.406   8.612  -6.108
  123   2HE   LYS  15          1HE       LYS  15 -32.942   7.641  -5.958
  124   1HZ   LYS  15          2HZ       LYS  15 -34.270   5.861  -7.174
  125   2HZ   LYS  15          1HZ       LYS  15 -35.347   7.097  -7.585
  126   3HZ   LYS  15          3HZ       LYS  15 -33.732   7.183  -8.083
  127    H    CYS  16           H        CYS  16 -33.890   2.594  -3.909
  128    HA   CYS  16           HA       CYS  16 -33.018   1.284  -5.611
  129   1HB   CYS  16          2HB       CYS  16 -35.360  -0.015  -4.314
  130   2HB   CYS  16          1HB       CYS  16 -34.648  -0.839  -5.695
  131    H    GLN  17           H        GLN  17 -33.278   2.678  -7.407
  132    HA   GLN  17           HA       GLN  17 -35.114   1.583  -9.398
  133   1HB   GLN  17          2HB       GLN  17 -35.114   4.380  -8.381
  134   2HB   GLN  17          1HB       GLN  17 -35.325   4.158 -10.113
  135   1HG   GLN  17          2HG       GLN  17 -37.187   2.573  -9.594
  136   2HG   GLN  17          1HG       GLN  17 -37.044   3.064  -7.906
  137   1HE2  GLN  17          2HE2      GLN  17 -39.590   5.315  -8.775
  138   2HE2  GLN  17          1HE2      GLN  17 -39.220   3.794  -8.044
  139    H    LEU  18           H        LEU  18 -32.175   3.156  -8.530
  140    HA   LEU  18           HA       LEU  18 -30.862   2.329 -10.913
  141   1HB   LEU  18          2HB       LEU  18 -31.871   5.073 -10.709
  142   2HB   LEU  18          1HB       LEU  18 -30.154   4.998 -11.058
  143    HG   LEU  18           HG       LEU  18 -32.093   3.391 -12.667
  144   1HD1  LEU  18          3HD1      LEU  18 -31.393   6.291 -13.061
  145   2HD1  LEU  18          2HD1      LEU  18 -32.151   5.270 -14.284
  146   3HD1  LEU  18          1HD1      LEU  18 -32.994   5.610 -12.772
  147   1HD2  LEU  18          3HD2      LEU  18 -29.650   2.986 -12.834
  148   2HD2  LEU  18          2HD2      LEU  18 -30.387   3.510 -14.348
  149   3HD2  LEU  18          1HD2      LEU  18 -29.454   4.653 -13.380
  150    H    ALA  19           H        ALA  19 -28.570   3.631 -10.888
  151    HA   ALA  19           HA       ALA  19 -27.153   2.645  -8.721
  152   1HB   ALA  19          2HB       ALA  19 -26.226   3.350 -10.945
  153   2HB   ALA  19          1HB       ALA  19 -26.292   5.012 -10.357
  154   3HB   ALA  19          3HB       ALA  19 -25.271   3.828  -9.540
  155    H    ASN  20           H        ASN  20 -25.475   4.788  -8.054
  156    HA   ASN  20           HA       ASN  20 -25.161   6.489  -6.622
  157   1HB   ASN  20          2HB       ASN  20 -27.093   7.574  -7.814
  158   2HB   ASN  20          1HB       ASN  20 -28.145   6.924  -6.562
  159   1HD2  ASN  20          2HD2      ASN  20 -27.558   9.477  -4.373
  160   2HD2  ASN  20          1HD2      ASN  20 -28.521   8.147  -4.909
  161    H    GLN  21           H        GLN  21 -28.325   5.768  -5.296
  162    HA   GLN  21           HA       GLN  21 -27.865   5.713  -2.706
  163   1HB   GLN  21          2HB       GLN  21 -29.658   4.123  -4.408
  164   2HB   GLN  21          1HB       GLN  21 -29.393   3.438  -2.809
  165   1HG   GLN  21          2HG       GLN  21 -31.362   4.929  -2.961
  166   2HG   GLN  21          1HG       GLN  21 -30.181   5.422  -1.748
  167   1HE2  GLN  21          2HE2      GLN  21 -29.321   8.429  -3.328
  168   2HE2  GLN  21          1HE2      GLN  21 -28.852   7.229  -2.177
  169    H    CYS  22           H        CYS  22 -28.063   2.385  -3.794
  170    HA   CYS  22           HA       CYS  22 -26.379   1.386  -1.832
  171   1HB   CYS  22          2HB       CYS  22 -26.531  -0.055  -4.437
  172   2HB   CYS  22          1HB       CYS  22 -26.681  -0.678  -2.802
  173    H    ASN  23           H        ASN  23 -25.591   2.187  -5.201
  174    HA   ASN  23           HA       ASN  23 -23.009   1.239  -5.306
  175   1HB   ASN  23          2HB       ASN  23 -24.574   2.583  -7.034
  176   2HB   ASN  23          1HB       ASN  23 -23.471   3.881  -6.584
  177   1HD2  ASN  23          1HD2      ASN  23 -21.217   3.570  -6.942
  178   2HD2  ASN  23          2HD2      ASN  23 -20.669   2.487  -8.170
  179    H    TYR  24           H        TYR  24 -23.675   4.707  -4.850
  180    HA   TYR  24           HA       TYR  24 -21.177   5.446  -3.986
  181   1HB   TYR  24          2HB       TYR  24 -22.412   7.323  -4.341
  182   2HB   TYR  24          1HB       TYR  24 -23.892   6.584  -3.757
  183    HD1  TYR  24           HD1      TYR  24 -20.670   7.038  -1.951
  184    HD2  TYR  24           HD2      TYR  24 -24.759   8.165  -2.288
  185    HE1  TYR  24           HE1      TYR  24 -20.484   8.313   0.142
  186    HE2  TYR  24           HE2      TYR  24 -24.584   9.444  -0.194
  187    HH   TYR  24           HH       TYR  24 -21.730   9.296   1.820
  188    H    ASP  25           H        ASP  25 -23.944   4.790  -1.805
  189    HA   ASP  25           HA       ASP  25 -22.619   4.993   0.590
  190   1HB   ASP  25          2HB       ASP  25 -24.969   3.391  -0.314
  191   2HB   ASP  25          1HB       ASP  25 -24.318   3.096   1.296
  192    H    CYS  26           H        CYS  26 -23.030   1.959  -1.253
  193    HA   CYS  26           HA       CYS  26 -21.529   0.379   0.461
  194   1HB   CYS  26          2HB       CYS  26 -21.762   0.165  -2.553
  195   2HB   CYS  26          1HB       CYS  26 -21.130  -1.097  -1.505
  196    H    LYS  27           H        LYS  27 -20.514   2.426  -2.221
  197    HA   LYS  27           HA       LYS  27 -17.797   1.734  -2.237
  198   1HB   LYS  27          2HB       LYS  27 -19.310   3.218  -3.851
  199   2HB   LYS  27          1HB       LYS  27 -18.587   4.520  -2.919
  200   1HG   LYS  27          2HG       LYS  27 -16.406   3.930  -3.602
  201   2HG   LYS  27          1HG       LYS  27 -16.950   2.381  -4.249
  202   1HD   LYS  27          2HD       LYS  27 -17.872   3.335  -6.129
  203   2HD   LYS  27          1HD       LYS  27 -18.109   4.900  -5.347
  204   1HE   LYS  27          2HE       LYS  27 -15.639   5.204  -5.347
  205   2HE   LYS  27          1HE       LYS  27 -15.498   3.708  -6.271
  206   1HZ   LYS  27          2HZ       LYS  27 -17.269   5.803  -7.294
  207   2HZ   LYS  27          1HZ       LYS  27 -15.601   6.029  -7.449
  208   3HZ   LYS  27          3HZ       LYS  27 -16.338   4.671  -8.137
  209    H    LEU  28           H        LEU  28 -19.234   2.726   0.436
  210    HA   LEU  28           HA       LEU  28 -16.808   3.777   1.533
  211   1HB   LEU  28          2HB       LEU  28 -17.840   5.741   0.341
  212   2HB   LEU  28          1HB       LEU  28 -19.153   5.662   1.498
  213    HG   LEU  28           HG       LEU  28 -16.267   6.047   2.285
  214   1HD1  LEU  28          3HD1      LEU  28 -18.383   8.028   1.548
  215   2HD1  LEU  28          2HD1      LEU  28 -17.129   8.440   2.720
  216   3HD1  LEU  28          1HD1      LEU  28 -16.684   7.978   1.076
  217   1HD2  LEU  28          1HD2      LEU  28 -18.832   5.840   3.741
  218   2HD2  LEU  28          3HD2      LEU  28 -17.194   5.438   4.254
  219   3HD2  LEU  28          2HD2      LEU  28 -17.737   7.114   4.276
  220    H    ASP  29           H        ASP  29 -20.331   3.516   2.067
  221    HA   ASP  29           HA       ASP  29 -20.122   3.516   4.890
  222   1HB   ASP  29          2HB       ASP  29 -22.271   2.852   2.932
  223   2HB   ASP  29          1HB       ASP  29 -22.462   2.278   4.586
  224    H    LYS  30           H        LYS  30 -19.361   1.152   2.584
  225    HA   LYS  30           HA       LYS  30 -18.965  -0.811   4.716
  226   1HB   LYS  30          2HB       LYS  30 -20.443  -1.342   2.136
  227   2HB   LYS  30          1HB       LYS  30 -19.777  -2.619   3.146
  228   1HG   LYS  30          2HG       LYS  30 -21.295  -0.973   4.862
  229   2HG   LYS  30          1HG       LYS  30 -22.274  -1.209   3.416
  230   1HD   LYS  30          2HD       LYS  30 -20.960  -3.459   4.938
  231   2HD   LYS  30          1HD       LYS  30 -22.606  -2.905   5.244
  232   1HE   LYS  30          2HE       LYS  30 -23.130  -4.519   3.745
  233   2HE   LYS  30          1HE       LYS  30 -22.719  -3.270   2.571
  234   1HZ   LYS  30          3HZ       LYS  30 -20.382  -4.210   2.702
  235   2HZ   LYS  30          2HZ       LYS  30 -21.066  -5.548   3.476
  236   3HZ   LYS  30          1HZ       LYS  30 -21.538  -5.150   1.902
  237    H    HIS  31           H        HIS  31 -17.221   0.966   3.210
  238    HA   HIS  31           HA       HIS  31 -15.399   0.947   1.780
  239   1HB   HIS  31          2HB       HIS  31 -14.589  -1.485   3.338
  240   2HB   HIS  31          1HB       HIS  31 -13.610  -0.110   2.838
  241    HD1  HIS  31           HD1      HIS  31 -14.677  -1.488   5.804
  242    HD2  HIS  31           HD2      HIS  31 -14.986   2.355   4.254
  243    HE1  HIS  31           HE1      HIS  31 -15.017   0.014   7.793
  244    HE2  HIS  31           HE2      HIS  31 -15.276   2.326   6.824
  245    H    ALA  32           H        ALA  32 -17.511  -0.428   0.506
  246    HA   ALA  32           HA       ALA  32 -16.389  -2.892  -0.545
  247   1HB   ALA  32          1HB       ALA  32 -19.007  -1.493  -0.795
  248   2HB   ALA  32          3HB       ALA  32 -18.547  -2.680  -2.016
  249   3HB   ALA  32          2HB       ALA  32 -18.657  -3.155  -0.322
  250    H    ARG  33           H        ARG  33 -16.944  -3.016  -3.114
  251    HA   ARG  33           HA       ARG  33 -15.163  -1.028  -4.289
  252   1HB   ARG  33          2HB       ARG  33 -15.116  -3.673  -4.564
  253   2HB   ARG  33          1HB       ARG  33 -16.274  -3.334  -5.838
  254   1HG   ARG  33          2HG       ARG  33 -14.597  -2.870  -7.228
  255   2HG   ARG  33          1HG       ARG  33 -14.130  -1.522  -6.200
  256   1HD   ARG  33          2HD       ARG  33 -12.183  -2.758  -6.287
  257   2HD   ARG  33          1HD       ARG  33 -12.912  -3.353  -4.798
  258    HE   ARG  33           HE       ARG  33 -13.837  -5.057  -6.707
  259   1HH1  ARG  33          1HH2      ARG  33 -10.676  -3.989  -5.715
  260   2HH1  ARG  33          2HH2      ARG  33  -9.887  -5.458  -6.184
  261   1HH2  ARG  33          2HH1      ARG  33 -12.816  -6.996  -7.332
  262   2HH2  ARG  33          1HH1      ARG  33 -11.107  -7.170  -7.108
  263    H    SER  34           H        SER  34 -18.430  -2.298  -4.582
  264    HA   SER  34           HA       SER  34 -19.382   0.152  -5.703
  265   1HB   SER  34          2HB       SER  34 -19.641  -0.358  -7.902
  266   2HB   SER  34          1HB       SER  34 -18.382  -1.557  -7.598
  267    HG   SER  34           HG       SER  34 -19.809  -3.101  -7.778
  268    H    GLY  35           H        GLY  35 -21.733  -1.013  -6.922
  269   1HA   GLY  35          2HA       GLY  35 -23.098  -2.918  -5.537
  270   2HA   GLY  35          1HA       GLY  35 -23.222  -1.503  -4.506
  271    H    GLU  36           H        GLU  36 -25.487  -2.600  -5.400
  272    HA   GLU  36           HA       GLU  36 -26.832  -0.486  -6.645
  273   1HB   GLU  36          2HB       GLU  36 -25.445  -1.993  -8.514
  274   2HB   GLU  36          1HB       GLU  36 -27.067  -2.662  -8.596
  275   1HG   GLU  36          2HG       GLU  36 -26.434   0.269  -8.834
  276   2HG   GLU  36          1HG       GLU  36 -26.625  -0.825 -10.203
  277    H    CYS  37           H        CYS  37 -29.144  -1.211  -7.289
  278    HA   CYS  37           HA       CYS  37 -30.050  -2.998  -5.196
  279   1HB   CYS  37          2HB       CYS  37 -31.466  -1.131  -7.081
  280   2HB   CYS  37          1HB       CYS  37 -32.356  -2.289  -6.097
  281    H    PHE  38           H        PHE  38 -30.623  -5.061  -5.475
  282    HA   PHE  38           HA       PHE  38 -31.398  -5.991  -8.145
  283   1HB   PHE  38          2HB       PHE  38 -29.106  -7.073  -6.514
  284   2HB   PHE  38          1HB       PHE  38 -29.911  -8.039  -7.745
  285    HD1  PHE  38           HD2      PHE  38 -30.263  -6.601 -10.023
  286    HD2  PHE  38           HD1      PHE  38 -27.139  -6.104  -7.175
  287    HE1  PHE  38           HE2      PHE  38 -28.841  -5.594 -11.763
  288    HE2  PHE  38           HE1      PHE  38 -25.712  -5.096  -8.905
  289    HZ   PHE  38           HZ       PHE  38 -26.562  -4.840 -11.206
  290    H    TYR  39           H        TYR  39 -32.234  -8.260  -8.089
  291    HA   TYR  39           HA       TYR  39 -33.259  -9.099  -5.496
  292   1HB   TYR  39          2HB       TYR  39 -35.565  -9.281  -6.318
  293   2HB   TYR  39          1HB       TYR  39 -34.997  -7.632  -6.285
  294    HD1  TYR  39           HD2      TYR  39 -33.467  -8.957  -9.098
  295    HD2  TYR  39           HD1      TYR  39 -37.286  -7.776  -7.637
  296    HE1  TYR  39           HE2      TYR  39 -34.233  -8.627 -11.407
  297    HE2  TYR  39           HE1      TYR  39 -38.064  -7.437  -9.952
  298    HH   TYR  39           HH       TYR  39 -36.106  -8.361 -12.708
  299    H    ASP  40           H        ASP  40 -34.838 -11.117  -6.004
  300    HA   ASP  40           HA       ASP  40 -33.354 -12.883  -7.849
  301   1HB   ASP  40          2HB       ASP  40 -34.168 -14.697  -6.134
  302   2HB   ASP  40          1HB       ASP  40 -32.725 -13.745  -5.799
  303    H    GLU  41           H        GLU  41 -34.778 -15.049  -8.013
  304    HA   GLU  41           HA       GLU  41 -36.986 -14.344  -9.598
  305   1HB   GLU  41          2HB       GLU  41 -35.458 -16.637  -9.124
  306   2HB   GLU  41          1HB       GLU  41 -37.090 -17.106  -8.683
  307   1HG   GLU  41          2HG       GLU  41 -36.290 -15.882 -11.314
  308   2HG   GLU  41          1HG       GLU  41 -36.540 -17.602 -11.022
  309    H    LYS  42           H        LYS  42 -37.437 -13.107  -7.162
  310    HA   LYS  42           HA       LYS  42 -39.957 -14.381  -6.362
  311   1HB   LYS  42          2HB       LYS  42 -37.621 -14.151  -4.698
  312   2HB   LYS  42          1HB       LYS  42 -38.901 -13.159  -4.019
  313   1HG   LYS  42          2HG       LYS  42 -39.294 -16.036  -4.790
  314   2HG   LYS  42          1HG       LYS  42 -38.773 -15.525  -3.184
  315   1HD   LYS  42          2HD       LYS  42 -41.279 -14.490  -4.496
  316   2HD   LYS  42          1HD       LYS  42 -41.259 -15.937  -3.488
  317   1HE   LYS  42          2HE       LYS  42 -40.108 -14.386  -1.745
  318   2HE   LYS  42          1HE       LYS  42 -40.782 -13.084  -2.721
  319   1HZ   LYS  42          1HZ       LYS  42 -42.737 -15.077  -2.191
  320   2HZ   LYS  42          3HZ       LYS  42 -42.067 -14.502  -0.747
  321   3HZ   LYS  42          2HZ       LYS  42 -42.774 -13.422  -1.841
  322    H    ARG  43           H        ARG  43 -38.032 -11.547  -6.856
  323    HA   ARG  43           HA       ARG  43 -38.807  -9.464  -7.507
  324   1HB   ARG  43          2HB       ARG  43 -41.126 -10.714  -7.657
  325   2HB   ARG  43          1HB       ARG  43 -41.445  -9.851  -6.159
  326   1HG   ARG  43          2HG       ARG  43 -42.283  -8.370  -7.677
  327   2HG   ARG  43          1HG       ARG  43 -40.624  -7.783  -7.553
  328   1HD   ARG  43          2HD       ARG  43 -40.174  -9.421  -9.517
  329   2HD   ARG  43          1HD       ARG  43 -41.921  -9.356  -9.745
  330    HE   ARG  43           HE       ARG  43 -40.044  -7.124 -10.061
  331   1HH1  ARG  43          1HH2      ARG  43 -43.263  -8.425 -10.361
  332   2HH1  ARG  43          2HH2      ARG  43 -43.837  -7.121 -11.345
  333   1HH2  ARG  43          2HH1      ARG  43 -40.795  -5.401 -11.353
  334   2HH2  ARG  43          1HH1      ARG  43 -42.436  -5.401 -11.907
  335    H    ASN  44           H        ASN  44 -37.148  -9.480  -5.587
  336    HA   ASN  44           HA       ASN  44 -38.218  -7.617  -3.612
  337   1HB   ASN  44          2HB       ASN  44 -36.750 -10.171  -2.955
  338   2HB   ASN  44          1HB       ASN  44 -36.815  -8.814  -1.834
  339   1HD2  ASN  44          2HD2      ASN  44 -39.599 -10.412  -0.494
  340   2HD2  ASN  44          1HD2      ASN  44 -37.935  -9.987  -0.304
  341    H    LEU  45           H        LEU  45 -37.084  -5.855  -4.141
  342    HA   LEU  45           HA       LEU  45 -34.321  -6.054  -4.987
  343   1HB   LEU  45          2HB       LEU  45 -36.309  -3.821  -4.825
  344   2HB   LEU  45          1HB       LEU  45 -34.612  -3.493  -5.113
  345    HG   LEU  45           HG       LEU  45 -36.217  -5.345  -6.866
  346   1HD1  LEU  45          3HD1      LEU  45 -35.971  -2.369  -6.912
  347   2HD1  LEU  45          2HD1      LEU  45 -36.113  -3.266  -8.424
  348   3HD1  LEU  45          1HD1      LEU  45 -37.382  -3.385  -7.206
  349   1HD2  LEU  45          1HD2      LEU  45 -33.539  -4.003  -7.066
  350   2HD2  LEU  45          3HD2      LEU  45 -33.929  -5.717  -7.207
  351   3HD2  LEU  45          2HD2      LEU  45 -34.390  -4.600  -8.490
  352    H    GLN  46           H        GLN  46 -32.568  -5.488  -3.959
  353    HA   GLN  46           HA       GLN  46 -32.717  -4.032  -1.437
  354   1HB   GLN  46          2HB       GLN  46 -32.524  -6.838  -1.473
  355   2HB   GLN  46          1HB       GLN  46 -30.900  -6.275  -1.107
  356   1HG   GLN  46          2HG       GLN  46 -31.837  -6.489   0.982
  357   2HG   GLN  46          1HG       GLN  46 -32.075  -4.776   0.641
  358   1HE2  GLN  46          1HE2      GLN  46 -33.806  -7.707  -0.343
  359   2HE2  GLN  46          2HE2      GLN  46 -35.354  -7.192   0.229
  360    H    CYS  47           H        CYS  47 -30.680  -3.154  -0.767
  361    HA   CYS  47           HA       CYS  47 -29.035  -2.389  -2.983
  362   1HB   CYS  47          2HB       CYS  47 -29.249  -1.670  -0.106
  363   2HB   CYS  47          1HB       CYS  47 -27.711  -1.346  -0.892
  364    H    ILE  48           H        ILE  48 -27.750  -3.963  -3.793
  365    HA   ILE  48           HA       ILE  48 -26.253  -5.696  -2.004
  366    HB   ILE  48           HB       ILE  48 -26.606  -5.656  -4.990
  367   1HG1  ILE  48          2HG1      ILE  48 -27.381  -8.010  -4.489
  368   2HG1  ILE  48          1HG1      ILE  48 -27.245  -7.618  -2.778
  369   1HG2  ILE  48          2HG2      ILE  48 -24.587  -7.147  -3.353
  370   2HG2  ILE  48          1HG2      ILE  48 -25.164  -7.771  -4.899
  371   3HG2  ILE  48          3HG2      ILE  48 -24.337  -6.212  -4.827
  372   1HD1  ILE  48          2HD1      ILE  48 -28.905  -5.910  -4.569
  373   2HD1  ILE  48          1HD1      ILE  48 -29.534  -7.443  -3.961
  374   3HD1  ILE  48          3HD1      ILE  48 -29.038  -6.183  -2.831
  375    H    CYS  49           H        CYS  49 -24.269  -5.251  -1.308
  376    HA   CYS  49           HA       CYS  49 -22.711  -3.177  -2.680
  377   1HB   CYS  49          2HB       CYS  49 -22.325  -4.502   0.015
  378   2HB   CYS  49          1HB       CYS  49 -21.256  -3.275  -0.653
  379    H    ASP  50           H        ASP  50 -21.274  -3.813  -4.141
  380    HA   ASP  50           HA       ASP  50 -20.363  -6.571  -4.171
  381   1HB   ASP  50          2HB       ASP  50 -21.119  -4.898  -6.167
  382   2HB   ASP  50          1HB       ASP  50 -19.372  -4.699  -6.240
  383    H    TYR  51           H        TYR  51 -18.378  -7.269  -3.727
  384    HA   TYR  51           HA       TYR  51 -16.407  -5.298  -2.797
  385   1HB   TYR  51          2HB       TYR  51 -17.089  -8.086  -2.024
  386   2HB   TYR  51          1HB       TYR  51 -15.393  -7.628  -1.913
  387    HD1  TYR  51           HD1      TYR  51 -14.678  -5.888  -0.346
  388    HD2  TYR  51           HD2      TYR  51 -18.731  -7.169  -0.520
  389    HE1  TYR  51           HE1      TYR  51 -15.098  -4.828   1.833
  390    HE2  TYR  51           HE2      TYR  51 -19.164  -6.111   1.659
  391    HH   TYR  51           HH       TYR  51 -16.642  -4.272   3.344
  392    H    CYS  52           H        CYS  52 -16.963  -7.772  -5.175
  393    HA   CYS  52           HA       CYS  52 -14.405  -7.118  -6.413
  394   1HB   CYS  52          2HB       CYS  52 -14.909  -9.997  -6.579
  395   2HB   CYS  52          1HB       CYS  52 -13.436  -9.140  -6.143
  396    H    GLU  53           H        GLU  53 -15.653  -6.039  -7.978
  397    HA   GLU  53           HA       GLU  53 -16.415  -7.658 -10.183
  398   1HB   GLU  53          2HB       GLU  53 -18.427  -7.547  -8.425
  399   2HB   GLU  53          1HB       GLU  53 -18.754  -6.050  -9.286
  400   1HG   GLU  53          2HG       GLU  53 -20.041  -7.759 -10.301
  401   2HG   GLU  53          1HG       GLU  53 -18.728  -7.363 -11.410
  402    H    TYR  54           HN       TYR  54 -14.550  -5.926 -10.380
  403    HA   TYR  54           HA       TYR  54 -13.773  -4.080 -11.454
  404   1HB   TYR  54          2HB       TYR  54 -16.530  -4.181 -12.690
  405   2HB   TYR  54          1HB       TYR  54 -15.227  -3.142 -13.255
  406    HD1  TYR  54           HD1      TYR  54 -12.903  -4.601 -13.503
  407    HD2  TYR  54           HD2      TYR  54 -16.873  -6.048 -13.989
  408    HE1  TYR  54           HE1      TYR  54 -12.058  -6.421 -14.920
  409    HE2  TYR  54           HE2      TYR  54 -16.039  -7.874 -15.411
  410    HH   TYR  54           HH       TYR  54 -14.205  -8.954 -16.134
   
  No H/Q in entry =         410
  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1 -14.505 -18.407  -9.811
    2    HA   PCA   1           HA       PCA   1 -16.763 -17.298 -10.254
    3   1HB   PCA   1          1HB       PCA   1 -18.470 -18.016  -8.956
    4   2HB   PCA   1          2HB       PCA   1 -17.666 -17.382  -7.500
    5   1HG   PCA   1          1HG       PCA   1 -17.812 -20.126  -8.436
    6   2HG   PCA   1          2HG       PCA   1 -17.064 -19.512  -6.950
    7    H    ASP   2           H        ASP   2 -17.427 -15.160  -9.335
    8    HA   ASP   2           HA       ASP   2 -15.181 -13.560  -8.816
    9   1HB   ASP   2          2HB       ASP   2 -16.703 -11.728  -8.644
   10   2HB   ASP   2          1HB       ASP   2 -17.359 -12.822  -9.858
   11    H    LYS   3           H        LYS   3 -17.887 -14.412  -6.647
   12    HA   LYS   3           HA       LYS   3 -18.084 -14.356  -4.380
   13   1HB   LYS   3          2HB       LYS   3 -16.357 -16.202  -4.826
   14   2HB   LYS   3          1HB       LYS   3 -15.154 -15.039  -4.286
   15   1HG   LYS   3          2HG       LYS   3 -15.869 -15.098  -2.109
   16   2HG   LYS   3          1HG       LYS   3 -17.508 -15.582  -2.546
   17   1HD   LYS   3          2HD       LYS   3 -16.402 -17.440  -1.492
   18   2HD   LYS   3          1HD       LYS   3 -16.632 -17.805  -3.203
   19   1HE   LYS   3          2HE       LYS   3 -14.435 -18.176  -3.411
   20   2HE   LYS   3          1HE       LYS   3 -14.100 -16.520  -2.906
   21   1HZ   LYS   3          2HZ       LYS   3 -14.753 -18.093  -0.656
   22   2HZ   LYS   3          1HZ       LYS   3 -13.524 -18.855  -1.532
   23   3HZ   LYS   3          3HZ       LYS   3 -13.318 -17.264  -0.993
   24    H    CYS   4           H        CYS   4 -18.478 -12.240  -3.945
   25    HA   CYS   4           HA       CYS   4 -16.751 -10.835  -2.291
   26   1HB   CYS   4          2HB       CYS   4 -16.140 -10.571  -5.091
   27   2HB   CYS   4          1HB       CYS   4 -16.583  -8.998  -4.432
   28    H    LYS   5           H        LYS   5 -19.648 -11.449  -3.153
   29    HA   LYS   5           HA       LYS   5 -20.754  -8.747  -3.214
   30   1HB   LYS   5          2HB       LYS   5 -21.868 -11.485  -3.721
   31   2HB   LYS   5          1HB       LYS   5 -22.949 -10.142  -3.376
   32   1HG   LYS   5          2HG       LYS   5 -22.107  -8.924  -5.285
   33   2HG   LYS   5          1HG       LYS   5 -20.931 -10.200  -5.609
   34   1HD   LYS   5          2HD       LYS   5 -22.731 -11.778  -6.029
   35   2HD   LYS   5          1HD       LYS   5 -23.927 -10.541  -5.639
   36   1HE   LYS   5          2HE       LYS   5 -22.063 -10.666  -7.992
   37   2HE   LYS   5          1HE       LYS   5 -23.825 -10.608  -7.994
   38   1HZ   LYS   5          1HZ       LYS   5 -23.104  -8.342  -6.679
   39   2HZ   LYS   5          3HZ       LYS   5 -21.933  -8.462  -7.896
   40   3HZ   LYS   5          2HZ       LYS   5 -23.574  -8.433  -8.300
   41    H    LYS   6           H        LYS   6 -21.938  -7.863  -1.607
   42    HA   LYS   6           HA       LYS   6 -22.547  -9.459   0.768
   43   1HB   LYS   6          2HB       LYS   6 -20.330  -7.850   0.666
   44   2HB   LYS   6          1HB       LYS   6 -21.528  -6.762   1.359
   45   1HG   LYS   6          2HG       LYS   6 -20.767  -9.470   2.423
   46   2HG   LYS   6          1HG       LYS   6 -20.270  -7.907   3.081
   47   1HD   LYS   6          2HD       LYS   6 -22.828  -7.449   3.178
   48   2HD   LYS   6          1HD       LYS   6 -22.958  -9.206   3.105
   49   1HE   LYS   6          2HE       LYS   6 -22.960  -8.571   5.409
   50   2HE   LYS   6          1HE       LYS   6 -21.407  -9.327   5.057
   51   1HZ   LYS   6          3HZ       LYS   6 -21.772  -6.391   4.981
   52   2HZ   LYS   6          2HZ       LYS   6 -21.368  -7.206   6.407
   53   3HZ   LYS   6          1HZ       LYS   6 -20.327  -7.267   5.075
   54    H    VAL   7           H        VAL   7 -24.716  -9.328   0.609
   55    HA   VAL   7           HA       VAL   7 -26.156  -7.154  -0.391
   56    HB   VAL   7           HB       VAL   7 -28.028  -8.378  -0.053
   57   1HG1  VAL   7          2HG1      VAL   7 -26.136  -9.871  -0.889
   58   2HG1  VAL   7          1HG1      VAL   7 -26.166 -10.595   0.719
   59   3HG1  VAL   7          3HG1      VAL   7 -27.602 -10.658  -0.304
   60   1HG2  VAL   7          2HG2      VAL   7 -26.931  -9.128   2.651
   61   2HG2  VAL   7          1HG2      VAL   7 -28.294  -8.068   2.287
   62   3HG2  VAL   7          3HG2      VAL   7 -28.419  -9.802   1.987
   63    H    TYR   8           H        TYR   8 -26.864  -5.308   0.431
   64    HA   TYR   8           HA       TYR   8 -25.978  -4.491   3.025
   65   1HB   TYR   8          2HB       TYR   8 -26.260  -2.984   0.991
   66   2HB   TYR   8          1HB       TYR   8 -27.992  -3.079   1.263
   67    HD1  TYR   8           HD2      TYR   8 -26.899  -3.088   4.500
   68    HD2  TYR   8           HD1      TYR   8 -26.955  -0.481   1.129
   69    HE1  TYR   8           HE2      TYR   8 -26.762  -1.158   5.997
   70    HE2  TYR   8           HE1      TYR   8 -26.818   1.458   2.632
   71    HH   TYR   8           HH       TYR   8 -27.080   1.123   6.101
   72    H    GLU   9           H        GLU   9 -27.140  -6.455   3.959
   73    HA   GLU   9           HA       GLU   9 -29.003  -7.487   4.879
   74   1HB   GLU   9          2HB       GLU   9 -29.485  -4.812   6.142
   75   2HB   GLU   9          1HB       GLU   9 -29.557  -6.410   6.870
   76   1HG   GLU   9          2HG       GLU   9 -26.967  -6.360   6.208
   77   2HG   GLU   9          1HG       GLU   9 -27.239  -4.632   6.420
   78    H    ASN  10           H        ASN  10 -31.347  -5.914   5.881
   79    HA   ASN  10           HA       ASN  10 -33.111  -6.411   3.821
   80   1HB   ASN  10          2HB       ASN  10 -34.761  -5.237   5.047
   81   2HB   ASN  10          1HB       ASN  10 -33.665  -5.901   6.253
   82   1HD2  ASN  10          2HD2      ASN  10 -32.725  -2.839   7.555
   83   2HD2  ASN  10          1HD2      ASN  10 -32.555  -4.559   7.565
   84    H    TYR  11           H        TYR  11 -32.147  -3.124   4.803
   85    HA   TYR  11           HA       TYR  11 -31.283  -1.455   3.421
   86   1HB   TYR  11          2HB       TYR  11 -31.082  -3.127   1.509
   87   2HB   TYR  11          1HB       TYR  11 -32.723  -2.657   1.063
   88    HD1  TYR  11           HD1      TYR  11 -29.523  -0.936   1.975
   89    HD2  TYR  11           HD2      TYR  11 -32.910  -1.090  -0.598
   90    HE1  TYR  11           HE1      TYR  11 -28.662   1.006   0.732
   91    HE2  TYR  11           HE2      TYR  11 -32.056   0.849  -1.848
   92    HH   TYR  11           HH       TYR  11 -29.301   1.833  -2.069
   93    HA   PRO  12           HA       PRO  12 -34.959   0.946   4.321
   94   1HB   PRO  12          2HB       PRO  12 -33.732   2.826   2.362
   95   2HB   PRO  12          1HB       PRO  12 -34.405   3.151   3.962
   96   1HG   PRO  12          2HG       PRO  12 -31.764   3.039   3.556
   97   2HG   PRO  12          1HG       PRO  12 -32.505   2.449   5.055
   98   1HD   PRO  12          2HD       PRO  12 -31.339   0.921   2.796
   99   2HD   PRO  12          1HD       PRO  12 -31.482   0.483   4.510
  100    H    VAL  13           H        VAL  13 -33.953   1.636   1.075
  101    HA   VAL  13           HA       VAL  13 -34.854   0.702  -0.927
  102    HB   VAL  13           HB       VAL  13 -37.489   0.725   0.536
  103   1HG1  VAL  13          2HG1      VAL  13 -36.761   0.416  -2.301
  104   2HG1  VAL  13          1HG1      VAL  13 -37.906  -0.773  -1.685
  105   3HG1  VAL  13          3HG1      VAL  13 -38.276   0.947  -1.570
  106   1HG2  VAL  13          1HG2      VAL  13 -35.453  -1.184   0.706
  107   2HG2  VAL  13          3HG2      VAL  13 -37.143  -1.419   1.153
  108   3HG2  VAL  13          2HG2      VAL  13 -36.587  -1.862  -0.459
  109    H    SER  14           H        SER  14 -34.579   3.350   0.507
  110    HA   SER  14           HA       SER  14 -36.560   5.132  -0.356
  111   1HB   SER  14          2HB       SER  14 -35.231   6.752   0.553
  112   2HB   SER  14          1HB       SER  14 -34.419   5.352   1.253
  113    HG   SER  14           HG       SER  14 -33.535   7.126  -0.638
  114    H    LYS  15           H        LYS  15 -34.009   3.586  -2.099
  115    HA   LYS  15           HA       LYS  15 -34.940   4.535  -4.580
  116   1HB   LYS  15          2HB       LYS  15 -33.352   6.398  -3.295
  117   2HB   LYS  15          1HB       LYS  15 -32.201   5.591  -4.341
  118   1HG   LYS  15          2HG       LYS  15 -32.858   6.974  -5.967
  119   2HG   LYS  15          1HG       LYS  15 -34.391   6.109  -6.003
  120   1HD   LYS  15          2HD       LYS  15 -35.372   7.664  -4.457
  121   2HD   LYS  15          1HD       LYS  15 -33.813   8.450  -4.192
  122   1HE   LYS  15          2HE       LYS  15 -35.103   8.314  -6.902
  123   2HE   LYS  15          1HE       LYS  15 -35.456   9.610  -5.761
  124   1HZ   LYS  15          2HZ       LYS  15 -32.722   9.469  -5.834
  125   2HZ   LYS  15          1HZ       LYS  15 -33.182   9.252  -7.447
  126   3HZ   LYS  15          3HZ       LYS  15 -33.686  10.629  -6.600
  127    H    CYS  16           H        CYS  16 -34.140   3.345  -6.263
  128    HA   CYS  16           HA       CYS  16 -31.665   2.057  -6.346
  129   1HB   CYS  16          2HB       CYS  16 -33.516   0.739  -4.651
  130   2HB   CYS  16          1HB       CYS  16 -33.358  -0.257  -6.090
  131    H    GLN  17           H        GLN  17 -32.626   3.445  -8.246
  132    HA   GLN  17           HA       GLN  17 -33.991   1.680 -10.161
  133   1HB   GLN  17          2HB       GLN  17 -33.632   4.683 -10.213
  134   2HB   GLN  17          1HB       GLN  17 -34.501   3.736 -11.412
  135   1HG   GLN  17          2HG       GLN  17 -35.238   3.974  -8.504
  136   2HG   GLN  17          1HG       GLN  17 -36.005   4.841  -9.834
  137   1HE2  GLN  17          2HE2      GLN  17 -37.339   1.270  -8.797
  138   2HE2  GLN  17          1HE2      GLN  17 -36.313   2.277  -7.839
  139    H    LEU  18           H        LEU  18 -31.045   3.304  -9.456
  140    HA   LEU  18           HA       LEU  18 -29.669   2.012 -11.614
  141   1HB   LEU  18          2HB       LEU  18 -30.063   5.002 -11.636
  142   2HB   LEU  18          1HB       LEU  18 -28.711   4.231 -12.439
  143    HG   LEU  18           HG       LEU  18 -30.785   2.823 -13.487
  144   1HD1  LEU  18          1HD1      LEU  18 -32.223   4.651 -12.212
  145   2HD1  LEU  18          3HD1      LEU  18 -31.878   5.573 -13.673
  146   3HD1  LEU  18          2HD1      LEU  18 -32.699   4.016 -13.783
  147   1HD2  LEU  18          1HD2      LEU  18 -29.297   5.238 -14.402
  148   2HD2  LEU  18          3HD2      LEU  18 -29.208   3.575 -14.982
  149   3HD2  LEU  18          2HD2      LEU  18 -30.591   4.585 -15.406
  150    H    ALA  19           H        ALA  19 -27.300   2.733 -11.615
  151    HA   ALA  19           HA       ALA  19 -26.218   2.379  -9.069
  152   1HB   ALA  19          3HB       ALA  19 -25.151   2.124 -11.439
  153   2HB   ALA  19          2HB       ALA  19 -24.648   3.795 -11.174
  154   3HB   ALA  19          1HB       ALA  19 -24.143   2.532 -10.051
  155    H    ASN  20           H        ASN  20 -26.365   3.707  -7.415
  156    HA   ASN  20           HA       ASN  20 -25.272   6.273  -7.373
  157   1HB   ASN  20          2HB       ASN  20 -27.111   7.071  -8.657
  158   2HB   ASN  20          1HB       ASN  20 -28.271   6.170  -7.686
  159   1HD2  ASN  20          2HD2      ASN  20 -26.571   9.074  -5.448
  160   2HD2  ASN  20          1HD2      ASN  20 -25.655   7.773  -6.123
  161    H    GLN  21           H        GLN  21 -28.323   5.864  -5.737
  162    HA   GLN  21           HA       GLN  21 -27.382   6.239  -3.195
  163   1HB   GLN  21          2HB       GLN  21 -29.811   6.023  -4.011
  164   2HB   GLN  21          1HB       GLN  21 -29.616   4.294  -3.752
  165   1HG   GLN  21          2HG       GLN  21 -30.492   4.863  -1.737
  166   2HG   GLN  21          1HG       GLN  21 -28.784   5.122  -1.379
  167   1HE2  GLN  21          2HE2      GLN  21 -29.223   8.433  -0.562
  168   2HE2  GLN  21          1HE2      GLN  21 -28.292   6.981  -0.480
  169    H    CYS  22           H        CYS  22 -27.952   3.082  -4.749
  170    HA   CYS  22           HA       CYS  22 -26.930   1.505  -2.668
  171   1HB   CYS  22          2HB       CYS  22 -28.246   0.882  -4.870
  172   2HB   CYS  22          1HB       CYS  22 -26.626   0.634  -5.512
  173    H    ASN  23           H        ASN  23 -25.364   2.492  -5.709
  174    HA   ASN  23           HA       ASN  23 -22.853   1.433  -5.238
  175   1HB   ASN  23          2HB       ASN  23 -24.049   3.150  -7.144
  176   2HB   ASN  23          1HB       ASN  23 -22.599   3.980  -6.591
  177   1HD2  ASN  23          2HD2      ASN  23 -20.736   2.184  -8.869
  178   2HD2  ASN  23          1HD2      ASN  23 -21.195   3.704  -8.190
  179    H    TYR  24           H        TYR  24 -23.670   4.885  -4.801
  180    HA   TYR  24           HA       TYR  24 -21.418   5.667  -3.450
  181   1HB   TYR  24          2HB       TYR  24 -22.602   7.568  -3.717
  182   2HB   TYR  24          1HB       TYR  24 -24.123   6.694  -3.787
  183    HD1  TYR  24           HD1      TYR  24 -21.605   7.271  -1.087
  184    HD2  TYR  24           HD2      TYR  24 -25.658   7.603  -2.336
  185    HE1  TYR  24           HE1      TYR  24 -22.205   8.156   1.122
  186    HE2  TYR  24           HE2      TYR  24 -26.269   8.491  -0.126
  187    HH   TYR  24           HH       TYR  24 -24.742   9.826   1.813
  188    H    ASP  25           H        ASP  25 -24.388   4.314  -2.026
  189    HA   ASP  25           HA       ASP  25 -23.679   4.483   0.649
  190   1HB   ASP  25          2HB       ASP  25 -25.389   2.541  -0.880
  191   2HB   ASP  25          1HB       ASP  25 -25.106   2.313   0.842
  192    H    CYS  26           H        CYS  26 -23.311   1.573  -1.393
  193    HA   CYS  26           HA       CYS  26 -21.767   0.125   0.405
  194   1HB   CYS  26          2HB       CYS  26 -21.713   0.110  -2.622
  195   2HB   CYS  26          1HB       CYS  26 -20.919  -1.094  -1.618
  196    H    LYS  27           H        LYS  27 -20.821   2.483  -2.028
  197    HA   LYS  27           HA       LYS  27 -18.050   2.206  -1.847
  198   1HB   LYS  27          2HB       LYS  27 -19.683   3.641  -3.426
  199   2HB   LYS  27          1HB       LYS  27 -19.151   4.921  -2.348
  200   1HG   LYS  27          2HG       LYS  27 -17.435   5.136  -3.778
  201   2HG   LYS  27          1HG       LYS  27 -16.782   3.712  -2.968
  202   1HD   LYS  27          2HD       LYS  27 -17.852   2.280  -4.658
  203   2HD   LYS  27          1HD       LYS  27 -18.472   3.719  -5.470
  204   1HE   LYS  27          2HE       LYS  27 -15.766   2.557  -5.483
  205   2HE   LYS  27          1HE       LYS  27 -16.586   3.529  -6.704
  206   1HZ   LYS  27          2HZ       LYS  27 -15.377   4.595  -4.209
  207   2HZ   LYS  27          1HZ       LYS  27 -14.663   4.661  -5.741
  208   3HZ   LYS  27          3HZ       LYS  27 -16.096   5.506  -5.439
  209    H    LEU  28           H        LEU  28 -19.937   2.869   0.710
  210    HA   LEU  28           HA       LEU  28 -17.755   4.011   2.173
  211   1HB   LEU  28          2HB       LEU  28 -19.285   5.861   0.901
  212   2HB   LEU  28          1HB       LEU  28 -20.105   5.772   2.447
  213    HG   LEU  28           HG       LEU  28 -17.824   6.170   3.518
  214   1HD1  LEU  28          1HD1      LEU  28 -17.179   6.737   0.640
  215   2HD1  LEU  28          3HD1      LEU  28 -16.273   7.455   1.971
  216   3HD1  LEU  28          2HD1      LEU  28 -16.311   5.704   1.776
  217   1HD2  LEU  28          2HD2      LEU  28 -19.580   7.869   3.383
  218   2HD2  LEU  28          1HD2      LEU  28 -17.975   8.578   3.200
  219   3HD2  LEU  28          3HD2      LEU  28 -19.001   8.339   1.786
  220    H    ASP  29           H        ASP  29 -21.282   3.441   2.265
  221    HA   ASP  29           HA       ASP  29 -21.390   3.155   5.081
  222   1HB   ASP  29          2HB       ASP  29 -23.212   2.360   2.828
  223   2HB   ASP  29          1HB       ASP  29 -23.548   1.815   4.467
  224    H    LYS  30           H        LYS  30 -20.031   1.273   2.691
  225    HA   LYS  30           HA       LYS  30 -19.640  -0.940   4.547
  226   1HB   LYS  30          2HB       LYS  30 -21.392  -1.106   2.319
  227   2HB   LYS  30          1HB       LYS  30 -19.971  -2.054   1.911
  228   1HG   LYS  30          2HG       LYS  30 -21.656  -3.443   2.942
  229   2HG   LYS  30          1HG       LYS  30 -20.236  -3.331   3.983
  230   1HD   LYS  30          2HD       LYS  30 -21.328  -2.092   5.572
  231   2HD   LYS  30          1HD       LYS  30 -22.443  -1.379   4.405
  232   1HE   LYS  30          2HE       LYS  30 -23.920  -3.102   4.561
  233   2HE   LYS  30          1HE       LYS  30 -22.656  -4.305   4.815
  234   1HZ   LYS  30          2HZ       LYS  30 -22.463  -2.968   7.082
  235   2HZ   LYS  30          1HZ       LYS  30 -24.099  -2.684   6.760
  236   3HZ   LYS  30          3HZ       LYS  30 -23.524  -4.271   6.884
  237    H    HIS  31           H        HIS  31 -18.274   1.381   2.920
  238    HA   HIS  31           HA       HIS  31 -16.355   1.706   1.683
  239   1HB   HIS  31          2HB       HIS  31 -14.391   0.519   2.955
  240   2HB   HIS  31          1HB       HIS  31 -15.312   1.794   3.743
  241    HD1  HIS  31           HD1      HIS  31 -14.662  -1.877   3.859
  242    HD2  HIS  31           HD2      HIS  31 -16.917   0.961   5.887
  243    HE1  HIS  31           HE1      HIS  31 -15.454  -3.021   5.951
  244    HE2  HIS  31           HE2      HIS  31 -16.701  -1.242   7.226
  245    H    ALA  32           H        ALA  32 -17.857  -0.196   0.384
  246    HA   ALA  32           HA       ALA  32 -16.130  -2.446  -0.249
  247   1HB   ALA  32          2HB       ALA  32 -18.954  -1.743  -0.690
  248   2HB   ALA  32          1HB       ALA  32 -18.206  -2.658  -1.997
  249   3HB   ALA  32          3HB       ALA  32 -18.218  -3.307  -0.358
  250    H    ARG  33           H        ARG  33 -16.654  -2.803  -2.937
  251    HA   ARG  33           HA       ARG  33 -14.986  -0.700  -4.103
  252   1HB   ARG  33          2HB       ARG  33 -14.954  -3.491  -4.289
  253   2HB   ARG  33          1HB       ARG  33 -15.559  -2.961  -5.852
  254   1HG   ARG  33          2HG       ARG  33 -13.056  -1.860  -4.603
  255   2HG   ARG  33          1HG       ARG  33 -13.071  -3.261  -5.677
  256   1HD   ARG  33          2HD       ARG  33 -14.133  -1.867  -7.417
  257   2HD   ARG  33          1HD       ARG  33 -14.011  -0.474  -6.343
  258    HE   ARG  33           HE       ARG  33 -11.864  -0.245  -7.044
  259   1HH1  ARG  33          1HH2      ARG  33 -12.761  -3.594  -7.391
  260   2HH1  ARG  33          2HH2      ARG  33 -11.245  -4.060  -8.087
  261   1HH2  ARG  33          2HH1      ARG  33  -9.868  -0.849  -7.960
  262   2HH2  ARG  33          1HH1      ARG  33  -9.600  -2.500  -8.410
  263    H    SER  34           H        SER  34 -18.125  -2.230  -4.424
  264    HA   SER  34           HA       SER  34 -19.283   0.003  -5.692
  265   1HB   SER  34          2HB       SER  34 -19.758  -0.982  -7.914
  266   2HB   SER  34          1HB       SER  34 -18.032  -0.737  -7.655
  267    HG   SER  34           HG       SER  34 -18.510  -2.802  -8.542
  268    H    GLY  35           H        GLY  35 -21.267  -1.534  -7.218
  269   1HA   GLY  35          2HA       GLY  35 -22.506  -3.635  -6.136
  270   2HA   GLY  35          1HA       GLY  35 -22.837  -2.408  -4.929
  271    H    GLU  36           H        GLU  36 -25.002  -3.390  -5.815
  272    HA   GLU  36           HA       GLU  36 -26.406  -1.299  -7.030
  273   1HB   GLU  36          2HB       GLU  36 -27.053  -2.444  -9.161
  274   2HB   GLU  36          1HB       GLU  36 -25.384  -1.896  -9.113
  275   1HG   GLU  36          2HG       GLU  36 -25.708  -4.640  -8.174
  276   2HG   GLU  36          1HG       GLU  36 -26.237  -4.413  -9.838
  277    H    CYS  37           H        CYS  37 -28.681  -2.174  -7.790
  278    HA   CYS  37           HA       CYS  37 -29.593  -3.885  -5.622
  279   1HB   CYS  37          2HB       CYS  37 -30.699  -1.687  -7.122
  280   2HB   CYS  37          1HB       CYS  37 -31.808  -3.052  -7.170
  281    H    PHE  38           H        PHE  38 -30.876  -5.730  -5.900
  282    HA   PHE  38           HA       PHE  38 -31.209  -6.808  -8.584
  283   1HB   PHE  38          2HB       PHE  38 -29.594  -8.193  -6.441
  284   2HB   PHE  38          1HB       PHE  38 -30.239  -9.019  -7.851
  285    HD1  PHE  38           HD1      PHE  38 -29.704  -7.621 -10.125
  286    HD2  PHE  38           HD2      PHE  38 -27.377  -7.646  -6.562
  287    HE1  PHE  38           HE1      PHE  38 -27.718  -6.978 -11.423
  288    HE2  PHE  38           HE2      PHE  38 -25.385  -7.001  -7.853
  289    HZ   PHE  38           HZ       PHE  38 -25.554  -6.667 -10.287
  290    H    TYR  39           H        TYR  39 -32.861  -8.330  -8.749
  291    HA   TYR  39           HA       TYR  39 -34.838  -8.186  -6.680
  292   1HB   TYR  39          2HB       TYR  39 -34.705  -9.228  -9.446
  293   2HB   TYR  39          1HB       TYR  39 -35.926  -9.935  -8.392
  294    HD1  TYR  39           HD2      TYR  39 -34.711  -6.739  -9.818
  295    HD2  TYR  39           HD1      TYR  39 -37.911  -8.764  -7.877
  296    HE1  TYR  39           HE2      TYR  39 -36.177  -4.810 -10.238
  297    HE2  TYR  39           HE1      TYR  39 -39.387  -6.839  -8.290
  298    HH   TYR  39           HH       TYR  39 -39.397  -4.614  -8.871
  299    H    ASP  40           H        ASP  40 -35.815  -9.895  -5.570
  300    HA   ASP  40           HA       ASP  40 -33.994 -12.129  -5.007
  301   1HB   ASP  40          2HB       ASP  40 -35.015 -12.306  -2.872
  302   2HB   ASP  40          1HB       ASP  40 -34.789 -10.582  -3.151
  303    H    GLU  41           H        GLU  41 -35.405 -14.091  -4.085
  304    HA   GLU  41           HA       GLU  41 -36.635 -15.217  -6.343
  305   1HB   GLU  41          2HB       GLU  41 -37.070 -16.286  -3.577
  306   2HB   GLU  41          1HB       GLU  41 -36.900 -17.173  -5.085
  307   1HG   GLU  41          2HG       GLU  41 -34.496 -16.181  -5.080
  308   2HG   GLU  41          1HG       GLU  41 -34.800 -15.954  -3.358
  309    H    LYS  42           H        LYS  42 -37.891 -13.008  -4.202
  310    HA   LYS  42           HA       LYS  42 -40.626 -14.011  -4.467
  311   1HB   LYS  42          2HB       LYS  42 -39.271 -12.640  -2.422
  312   2HB   LYS  42          1HB       LYS  42 -40.371 -11.450  -3.089
  313   1HG   LYS  42          2HG       LYS  42 -41.948 -13.740  -2.777
  314   2HG   LYS  42          1HG       LYS  42 -40.920 -13.709  -1.348
  315   1HD   LYS  42          2HD       LYS  42 -42.756 -12.456  -0.693
  316   2HD   LYS  42          1HD       LYS  42 -41.612 -11.215  -1.205
  317   1HE   LYS  42          2HE       LYS  42 -42.942 -11.793  -3.544
  318   2HE   LYS  42          1HE       LYS  42 -44.214 -11.951  -2.333
  319   1HZ   LYS  42          3HZ       LYS  42 -43.411  -9.709  -1.498
  320   2HZ   LYS  42          2HZ       LYS  42 -42.559  -9.580  -2.955
  321   3HZ   LYS  42          1HZ       LYS  42 -44.245  -9.722  -2.970
  322    H    ARG  43           H        ARG  43 -39.467 -10.680  -4.496
  323    HA   ARG  43           HA       ARG  43 -39.693 -10.034  -7.161
  324   1HB   ARG  43          2HB       ARG  43 -42.233 -10.698  -6.375
  325   2HB   ARG  43          1HB       ARG  43 -42.232  -8.974  -6.071
  326   1HG   ARG  43          2HG       ARG  43 -43.025  -9.167  -8.241
  327   2HG   ARG  43          1HG       ARG  43 -41.327  -8.733  -8.447
  328   1HD   ARG  43          2HD       ARG  43 -41.415 -10.466  -9.918
  329   2HD   ARG  43          1HD       ARG  43 -41.068 -11.387  -8.456
  330    HE   ARG  43           HE       ARG  43 -43.626 -11.590  -8.352
  331   1HH1  ARG  43          1HH2      ARG  43 -41.735 -11.511 -11.278
  332   2HH1  ARG  43          2HH2      ARG  43 -42.896 -12.402 -12.203
  333   1HH2  ARG  43          2HH1      ARG  43 -45.164 -12.754  -9.568
  334   2HH2  ARG  43          1HH1      ARG  43 -44.843 -13.108 -11.233
  335    H    ASN  44           H        ASN  44 -38.312  -9.296  -4.707
  336    HA   ASN  44           HA       ASN  44 -38.796  -6.384  -4.781
  337   1HB   ASN  44          2HB       ASN  44 -38.250  -8.134  -2.386
  338   2HB   ASN  44          1HB       ASN  44 -38.005  -6.390  -2.358
  339   1HD2  ASN  44          2HD2      ASN  44 -41.290  -5.791  -1.545
  340   2HD2  ASN  44          1HD2      ASN  44 -39.617  -5.368  -1.442
  341    H    LEU  45           H        LEU  45 -37.004  -5.063  -4.747
  342    HA   LEU  45           HA       LEU  45 -34.510  -6.374  -5.461
  343   1HB   LEU  45          2HB       LEU  45 -33.931  -3.759  -5.729
  344   2HB   LEU  45          1HB       LEU  45 -34.684  -4.725  -6.985
  345    HG   LEU  45           HG       LEU  45 -36.408  -3.261  -5.022
  346   1HD1  LEU  45          1HD1      LEU  45 -34.737  -2.077  -7.172
  347   2HD1  LEU  45          3HD1      LEU  45 -36.396  -1.499  -7.013
  348   3HD1  LEU  45          2HD1      LEU  45 -35.288  -1.382  -5.648
  349   1HD2  LEU  45          1HD2      LEU  45 -37.112  -5.001  -6.859
  350   2HD2  LEU  45          3HD2      LEU  45 -38.071  -3.548  -6.576
  351   3HD2  LEU  45          2HD2      LEU  45 -36.946  -3.611  -7.933
  352    H    GLN  46           H        GLN  46 -32.545  -5.998  -4.489
  353    HA   GLN  46           HA       GLN  46 -32.520  -4.597  -1.916
  354   1HB   GLN  46          2HB       GLN  46 -31.883  -7.509  -2.362
  355   2HB   GLN  46          1HB       GLN  46 -31.151  -6.617  -1.037
  356   1HG   GLN  46          2HG       GLN  46 -33.379  -6.101  -0.164
  357   2HG   GLN  46          1HG       GLN  46 -34.100  -7.018  -1.486
  358   1HE2  GLN  46          2HE2      GLN  46 -33.421  -8.938   1.801
  359   2HE2  GLN  46          1HE2      GLN  46 -33.815  -7.270   1.589
  360    H    CYS  47           H        CYS  47 -30.472  -3.857  -1.307
  361    HA   CYS  47           HA       CYS  47 -28.690  -3.308  -3.450
  362   1HB   CYS  47          2HB       CYS  47 -29.037  -2.493  -0.674
  363   2HB   CYS  47          1HB       CYS  47 -27.340  -2.602  -1.129
  364    H    ILE  48           H        ILE  48 -26.643  -4.003  -3.868
  365    HA   ILE  48           HA       ILE  48 -25.528  -6.183  -2.256
  366    HB   ILE  48           HB       ILE  48 -26.104  -6.262  -5.204
  367   1HG1  ILE  48          2HG1      ILE  48 -26.675  -8.670  -4.527
  368   2HG1  ILE  48          1HG1      ILE  48 -26.542  -8.116  -2.863
  369   1HG2  ILE  48          2HG2      ILE  48 -23.846  -7.583  -3.758
  370   2HG2  ILE  48          1HG2      ILE  48 -24.605  -8.375  -5.140
  371   3HG2  ILE  48          3HG2      ILE  48 -23.855  -6.790  -5.333
  372   1HD1  ILE  48          3HD1      ILE  48 -28.271  -6.472  -4.559
  373   2HD1  ILE  48          2HD1      ILE  48 -28.817  -8.130  -4.320
  374   3HD1  ILE  48          1HD1      ILE  48 -28.527  -7.092  -2.929
  375    H    CYS  49           H        CYS  49 -23.616  -5.531  -1.590
  376    HA   CYS  49           HA       CYS  49 -22.136  -3.544  -3.120
  377   1HB   CYS  49          2HB       CYS  49 -21.490  -4.742  -0.423
  378   2HB   CYS  49          1HB       CYS  49 -20.745  -3.321  -1.146
  379    H    ASP  50           H        ASP  50 -20.507  -4.015  -4.418
  380    HA   ASP  50           HA       ASP  50 -19.413  -6.725  -4.428
  381   1HB   ASP  50          2HB       ASP  50 -20.201  -5.269  -6.509
  382   2HB   ASP  50          1HB       ASP  50 -18.557  -4.650  -6.401
  383    H    TYR  51           H        TYR  51 -17.485  -7.201  -3.625
  384    HA   TYR  51           HA       TYR  51 -15.786  -4.993  -2.692
  385   1HB   TYR  51          2HB       TYR  51 -16.221  -7.809  -1.771
  386   2HB   TYR  51          1HB       TYR  51 -14.753  -6.944  -1.317
  387    HD1  TYR  51           HD2      TYR  51 -18.468  -6.838  -1.106
  388    HD2  TYR  51           HD1      TYR  51 -14.780  -5.343   0.412
  389    HE1  TYR  51           HE2      TYR  51 -19.674  -5.714   0.700
  390    HE2  TYR  51           HE1      TYR  51 -15.984  -4.224   2.241
  391    HH   TYR  51           HH       TYR  51 -19.526  -4.340   2.452
  392    H    CYS  52           H        CYS  52 -15.931  -7.087  -5.251
  393    HA   CYS  52           HA       CYS  52 -12.986  -7.191  -5.501
  394   1HB   CYS  52          2HB       CYS  52 -15.126  -9.073  -6.426
  395   2HB   CYS  52          1HB       CYS  52 -13.594  -9.001  -7.283
  396    H    GLU  53           H        GLU  53 -14.812  -8.033  -8.235
  397    HA   GLU  53           HA       GLU  53 -15.077  -5.447  -9.400
  398   1HB   GLU  53          2HB       GLU  53 -12.503  -6.322  -9.435
  399   2HB   GLU  53          1HB       GLU  53 -13.080  -6.987 -10.955
  400   1HG   GLU  53          2HG       GLU  53 -13.273  -4.094 -10.147
  401   2HG   GLU  53          1HG       GLU  53 -12.034  -4.776 -11.197
  402    H    TYR  54           HN       TYR  54 -14.477  -6.607 -12.109
  403    HA   TYR  54           HA       TYR  54 -15.827  -7.399 -13.784
  404   1HB   TYR  54          2HB       TYR  54 -15.682  -9.702 -11.840
  405   2HB   TYR  54          1HB       TYR  54 -16.381  -9.854 -13.449
  406    HD1  TYR  54           HD1      TYR  54 -14.715  -8.682 -15.310
  407    HD2  TYR  54           HD2      TYR  54 -13.545 -10.522 -11.656
  408    HE1  TYR  54           HE1      TYR  54 -12.478  -9.098 -16.241
  409    HE2  TYR  54           HE2      TYR  54 -11.304 -10.942 -12.579
  410    HH   TYR  54           HH       TYR  54 -10.513 -10.110 -15.931
   
  No H/Q in entry =         410
  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1 -11.751 -15.558  -1.529
    2    HA   PCA   1           HA       PCA   1 -11.235 -17.720  -2.715
    3   1HB   PCA   1          1HB       PCA   1 -11.273 -19.504  -1.320
    4   2HB   PCA   1          2HB       PCA   1 -13.050 -19.477  -1.402
    5   1HG   PCA   1          1HG       PCA   1 -11.420 -18.781   0.831
    6   2HG   PCA   1          2HG       PCA   1 -13.167 -18.523   0.673
    7    H    ASP   2           H        ASP   2 -12.465 -16.064  -3.990
    8    HA   ASP   2           HA       ASP   2 -14.030 -15.836  -5.645
    9   1HB   ASP   2          2HB       ASP   2 -15.373 -17.582  -6.204
   10   2HB   ASP   2          1HB       ASP   2 -14.412 -18.444  -5.012
   11    H    LYS   3           H        LYS   3 -16.856 -15.935  -5.366
   12    HA   LYS   3           HA       LYS   3 -18.557 -14.568  -4.734
   13   1HB   LYS   3          2HB       LYS   3 -17.314 -15.541  -2.268
   14   2HB   LYS   3          1HB       LYS   3 -18.200 -14.041  -2.037
   15   1HG   LYS   3          2HG       LYS   3 -19.454 -16.336  -3.486
   16   2HG   LYS   3          1HG       LYS   3 -19.424 -16.287  -1.722
   17   1HD   LYS   3          2HD       LYS   3 -20.874 -14.523  -1.609
   18   2HD   LYS   3          1HD       LYS   3 -20.349 -13.853  -3.155
   19   1HE   LYS   3          2HE       LYS   3 -21.854 -16.442  -3.031
   20   2HE   LYS   3          1HE       LYS   3 -22.706 -14.900  -2.982
   21   1HZ   LYS   3          2HZ       LYS   3 -20.897 -14.730  -5.068
   22   2HZ   LYS   3          1HZ       LYS   3 -21.616 -16.254  -5.209
   23   3HZ   LYS   3          3HZ       LYS   3 -22.579 -14.863  -5.178
   24    H    CYS   4           H        CYS   4 -19.155 -12.420  -4.278
   25    HA   CYS   4           HA       CYS   4 -17.201 -10.463  -3.501
   26   1HB   CYS   4          2HB       CYS   4 -17.365 -11.154  -6.240
   27   2HB   CYS   4          1HB       CYS   4 -18.121  -9.575  -6.089
   28    H    LYS   5           H        LYS   5 -20.391 -11.351  -4.516
   29    HA   LYS   5           HA       LYS   5 -21.500  -8.717  -3.992
   30   1HB   LYS   5          2HB       LYS   5 -23.004 -11.254  -4.620
   31   2HB   LYS   5          1HB       LYS   5 -23.560  -9.603  -4.824
   32   1HG   LYS   5          2HG       LYS   5 -21.121 -10.275  -6.331
   33   2HG   LYS   5          1HG       LYS   5 -22.558 -11.170  -6.819
   34   1HD   LYS   5          2HD       LYS   5 -22.880  -8.241  -6.458
   35   2HD   LYS   5          1HD       LYS   5 -21.903  -8.766  -7.827
   36   1HE   LYS   5          2HE       LYS   5 -24.304  -8.458  -8.377
   37   2HE   LYS   5          1HE       LYS   5 -23.704 -10.085  -8.694
   38   1HZ   LYS   5          3HZ       LYS   5 -24.644 -10.147  -6.113
   39   2HZ   LYS   5          2HZ       LYS   5 -25.799  -9.248  -6.963
   40   3HZ   LYS   5          1HZ       LYS   5 -25.394 -10.808  -7.478
   41    H    LYS   6           H        LYS   6 -22.651  -8.131  -2.224
   42    HA   LYS   6           HA       LYS   6 -23.559 -10.140  -0.330
   43   1HB   LYS   6          2HB       LYS   6 -21.723  -7.939   0.605
   44   2HB   LYS   6          1HB       LYS   6 -22.377  -9.259   1.560
   45   1HG   LYS   6          2HG       LYS   6 -21.086 -10.844   0.154
   46   2HG   LYS   6          1HG       LYS   6 -20.347  -9.456  -0.652
   47   1HD   LYS   6          2HD       LYS   6 -19.504  -8.678   1.537
   48   2HD   LYS   6          1HD       LYS   6 -20.177 -10.128   2.285
   49   1HE   LYS   6          2HE       LYS   6 -17.936  -9.917   0.295
   50   2HE   LYS   6          1HE       LYS   6 -17.894 -10.595   1.923
   51   1HZ   LYS   6          2HZ       LYS   6 -19.361 -12.376   1.154
   52   2HZ   LYS   6          1HZ       LYS   6 -19.329 -11.737  -0.412
   53   3HZ   LYS   6          3HZ       LYS   6 -17.911 -12.344   0.283
   54    H    VAL   7           H        VAL   7 -25.522  -9.597   0.334
   55    HA   VAL   7           HA       VAL   7 -26.781  -7.198  -0.364
   56    HB   VAL   7           HB       VAL   7 -28.695  -8.071   0.502
   57   1HG1  VAL   7          3HG1      VAL   7 -27.394  -9.816  -0.827
   58   2HG1  VAL   7          2HG1      VAL   7 -27.108 -10.603   0.727
   59   3HG1  VAL   7          1HG1      VAL   7 -28.756 -10.376   0.142
   60   1HG2  VAL   7          3HG2      VAL   7 -27.031  -9.002   2.819
   61   2HG2  VAL   7          2HG2      VAL   7 -28.394  -7.883   2.810
   62   3HG2  VAL   7          1HG2      VAL   7 -28.668  -9.608   2.565
   63    H    TYR   8           H        TYR   8 -27.382  -5.381   0.793
   64    HA   TYR   8           HA       TYR   8 -25.639  -4.764   3.042
   65   1HB   TYR   8          2HB       TYR   8 -25.718  -3.128   1.270
   66   2HB   TYR   8          1HB       TYR   8 -27.469  -3.047   1.361
   67    HD1  TYR   8           HD2      TYR   8 -25.836  -3.193   4.592
   68    HD2  TYR   8           HD1      TYR   8 -27.050  -0.571   1.464
   69    HE1  TYR   8           HE2      TYR   8 -25.672  -1.291   6.128
   70    HE2  TYR   8           HE1      TYR   8 -26.884   1.339   2.999
   71    HH   TYR   8           HH       TYR   8 -27.036   1.621   5.608
   72    H    GLU   9           H        GLU   9 -26.864  -6.268   4.412
   73    HA   GLU   9           HA       GLU   9 -28.749  -6.890   5.669
   74   1HB   GLU   9          2HB       GLU   9 -27.910  -4.270   6.901
   75   2HB   GLU   9          1HB       GLU   9 -28.596  -5.663   7.725
   76   1HG   GLU   9          2HG       GLU   9 -26.640  -6.907   7.510
   77   2HG   GLU   9          1HG       GLU   9 -26.007  -5.863   6.238
   78    H    ASN  10           H        ASN  10 -30.788  -6.886   5.089
   79    HA   ASN  10           HA       ASN  10 -32.684  -5.947   3.997
   80   1HB   ASN  10          2HB       ASN  10 -32.804  -6.552   6.580
   81   2HB   ASN  10          1HB       ASN  10 -33.144  -4.831   6.723
   82   1HD2  ASN  10          2HD2      ASN  10 -36.432  -5.126   5.744
   83   2HD2  ASN  10          1HD2      ASN  10 -35.160  -4.184   6.436
   84    H    TYR  11           H        TYR  11 -31.035  -4.229   3.002
   85    HA   TYR  11           HA       TYR  11 -30.954  -1.593   3.828
   86   1HB   TYR  11          2HB       TYR  11 -29.634  -2.444   1.973
   87   2HB   TYR  11          1HB       TYR  11 -31.097  -2.695   1.026
   88    HD1  TYR  11           HD2      TYR  11 -29.161   0.000   2.725
   89    HD2  TYR  11           HD1      TYR  11 -31.830  -1.034  -0.421
   90    HE1  TYR  11           HE2      TYR  11 -28.950   2.273   1.810
   91    HE2  TYR  11           HE1      TYR  11 -31.629   1.236  -1.346
   92    HH   TYR  11           HH       TYR  11 -29.239   3.339  -0.552
   93    HA   PRO  12           HA       PRO  12 -35.438  -0.688   3.744
   94   1HB   PRO  12          2HB       PRO  12 -34.238   2.053   3.801
   95   2HB   PRO  12          1HB       PRO  12 -35.595   1.400   4.729
   96   1HG   PRO  12          2HG       PRO  12 -33.202   1.694   5.855
   97   2HG   PRO  12          1HG       PRO  12 -34.212   0.283   6.217
   98   1HD   PRO  12          2HD       PRO  12 -31.767   0.479   4.533
   99   2HD   PRO  12          1HD       PRO  12 -32.366  -0.881   5.502
  100    H    VAL  13           H        VAL  13 -36.395  -0.890   1.828
  101    HA   VAL  13           HA       VAL  13 -35.328  -0.140  -0.645
  102    HB   VAL  13           HB       VAL  13 -38.289  -0.370  -0.235
  103   1HG1  VAL  13          1HG1      VAL  13 -36.400  -1.290  -2.400
  104   2HG1  VAL  13          3HG1      VAL  13 -38.145  -1.548  -2.394
  105   3HG1  VAL  13          2HG1      VAL  13 -37.496   0.090  -2.478
  106   1HG2  VAL  13          1HG2      VAL  13 -36.266  -2.596  -0.068
  107   2HG2  VAL  13          3HG2      VAL  13 -37.488  -2.150   1.123
  108   3HG2  VAL  13          2HG2      VAL  13 -37.975  -2.859  -0.417
  109    H    SER  14           H        SER  14 -35.114   2.141   0.965
  110    HA   SER  14           HA       SER  14 -37.155   4.040   0.543
  111   1HB   SER  14          2HB       SER  14 -35.643   5.651   1.379
  112   2HB   SER  14          1HB       SER  14 -35.176   4.153   2.183
  113    HG   SER  14           HG       SER  14 -33.776   4.145   0.026
  114    H    LYS  15           H        LYS  15 -34.451   2.999  -1.417
  115    HA   LYS  15           HA       LYS  15 -35.566   4.029  -3.792
  116   1HB   LYS  15          2HB       LYS  15 -33.967   5.877  -2.284
  117   2HB   LYS  15          1HB       LYS  15 -33.120   5.498  -3.775
  118   1HG   LYS  15          2HG       LYS  15 -35.397   5.991  -4.907
  119   2HG   LYS  15          1HG       LYS  15 -35.779   6.804  -3.388
  120   1HD   LYS  15          2HD       LYS  15 -34.861   8.571  -4.494
  121   2HD   LYS  15          1HD       LYS  15 -33.377   7.883  -3.830
  122   1HE   LYS  15          2HE       LYS  15 -32.808   8.184  -6.045
  123   2HE   LYS  15          1HE       LYS  15 -33.350   6.507  -6.040
  124   1HZ   LYS  15          3HZ       LYS  15 -35.353   8.561  -6.578
  125   2HZ   LYS  15          2HZ       LYS  15 -34.219   8.256  -7.795
  126   3HZ   LYS  15          1HZ       LYS  15 -35.201   7.003  -7.222
  127    H    CYS  16           H        CYS  16 -34.595   3.127  -5.586
  128    HA   CYS  16           HA       CYS  16 -31.949   2.129  -5.626
  129   1HB   CYS  16          2HB       CYS  16 -34.057   0.377  -4.568
  130   2HB   CYS  16          1HB       CYS  16 -33.070  -0.365  -5.820
  131    H    GLN  17           H        GLN  17 -34.729   3.000  -7.166
  132    HA   GLN  17           HA       GLN  17 -34.396   1.335  -9.508
  133   1HB   GLN  17          2HB       GLN  17 -36.338   3.465  -8.690
  134   2HB   GLN  17          1HB       GLN  17 -36.248   2.947 -10.369
  135   1HG   GLN  17          2HG       GLN  17 -37.171   0.922  -9.942
  136   2HG   GLN  17          1HG       GLN  17 -36.453   0.816  -8.336
  137   1HE2  GLN  17          2HE2      GLN  17 -39.767   1.203  -7.258
  138   2HE2  GLN  17          1HE2      GLN  17 -38.483   0.088  -7.563
  139    H    LEU  18           H        LEU  18 -32.077   2.701  -9.099
  140    HA   LEU  18           HA       LEU  18 -31.739   4.061 -11.560
  141   1HB   LEU  18          2HB       LEU  18 -32.284   5.660  -9.179
  142   2HB   LEU  18          1HB       LEU  18 -30.775   6.111  -9.945
  143    HG   LEU  18           HG       LEU  18 -33.304   5.886 -11.523
  144   1HD1  LEU  18          3HD1      LEU  18 -32.297   8.241  -9.946
  145   2HD1  LEU  18          2HD1      LEU  18 -33.481   8.365 -11.246
  146   3HD1  LEU  18          1HD1      LEU  18 -33.858   7.433  -9.797
  147   1HD2  LEU  18          2HD2      LEU  18 -30.845   6.072 -12.444
  148   2HD2  LEU  18          1HD2      LEU  18 -32.171   6.964 -13.191
  149   3HD2  LEU  18          3HD2      LEU  18 -31.081   7.780 -12.072
  150    H    ALA  19           H        ALA  19 -29.857   5.114  -8.830
  151    HA   ALA  19           HA       ALA  19 -27.929   3.165  -8.547
  152   1HB   ALA  19          2HB       ALA  19 -27.721   4.585 -11.104
  153   2HB   ALA  19          1HB       ALA  19 -26.225   4.581 -10.173
  154   3HB   ALA  19          3HB       ALA  19 -27.002   3.057 -10.601
  155    H    ASN  20           H        ASN  20 -25.579   4.598  -8.453
  156    HA   ASN  20           HA       ASN  20 -24.431   6.004  -7.113
  157   1HB   ASN  20          2HB       ASN  20 -26.176   7.587  -8.520
  158   2HB   ASN  20          1HB       ASN  20 -26.543   8.047  -6.861
  159   1HD2  ASN  20          2HD2      ASN  20 -23.722   9.991  -6.475
  160   2HD2  ASN  20          1HD2      ASN  20 -25.242   9.436  -5.868
  161    H    GLN  21           H        GLN  21 -27.729   6.783  -5.997
  162    HA   GLN  21           HA       GLN  21 -27.364   7.018  -3.353
  163   1HB   GLN  21          2HB       GLN  21 -29.568   6.845  -4.791
  164   2HB   GLN  21          1HB       GLN  21 -29.586   5.194  -4.189
  165   1HG   GLN  21          2HG       GLN  21 -29.958   7.753  -2.726
  166   2HG   GLN  21          1HG       GLN  21 -30.866   6.246  -2.616
  167   1HE2  GLN  21          2HE2      GLN  21 -27.846   7.021  -0.096
  168   2HE2  GLN  21          1HE2      GLN  21 -28.415   8.148  -1.276
  169    H    CYS  22           H        CYS  22 -28.421   3.852  -4.558
  170    HA   CYS  22           HA       CYS  22 -27.485   2.416  -2.324
  171   1HB   CYS  22          2HB       CYS  22 -29.246   1.608  -3.864
  172   2HB   CYS  22          1HB       CYS  22 -28.037   1.413  -5.127
  173    H    ASN  23           H        ASN  23 -26.129   2.933  -5.550
  174    HA   ASN  23           HA       ASN  23 -23.865   1.323  -5.360
  175   1HB   ASN  23          2HB       ASN  23 -24.939   2.870  -7.299
  176   2HB   ASN  23          1HB       ASN  23 -23.584   3.893  -6.825
  177   1HD2  ASN  23          2HD2      ASN  23 -21.409   0.874  -7.519
  178   2HD2  ASN  23          1HD2      ASN  23 -21.954   1.585  -6.041
  179    H    TYR  24           H        TYR  24 -23.617   4.880  -5.281
  180    HA   TYR  24           HA       TYR  24 -21.158   5.124  -4.154
  181   1HB   TYR  24          2HB       TYR  24 -21.793   7.268  -4.455
  182   2HB   TYR  24          1HB       TYR  24 -23.494   6.836  -4.392
  183    HD1  TYR  24           HD2      TYR  24 -20.601   7.244  -2.074
  184    HD2  TYR  24           HD1      TYR  24 -24.768   7.793  -2.721
  185    HE1  TYR  24           HE2      TYR  24 -20.784   8.353   0.105
  186    HE2  TYR  24           HE1      TYR  24 -24.964   8.907  -0.541
  187    HH   TYR  24           HH       TYR  24 -22.337   8.968   1.740
  188    H    ASP  25           H        ASP  25 -24.200   4.527  -2.453
  189    HA   ASP  25           HA       ASP  25 -23.311   4.747   0.162
  190   1HB   ASP  25          2HB       ASP  25 -25.472   3.213  -1.187
  191   2HB   ASP  25          1HB       ASP  25 -25.052   2.721   0.448
  192    H    CYS  26           H        CYS  26 -23.522   1.709  -1.712
  193    HA   CYS  26           HA       CYS  26 -22.139   0.134   0.090
  194   1HB   CYS  26          2HB       CYS  26 -22.074   0.005  -2.935
  195   2HB   CYS  26          1HB       CYS  26 -21.504  -1.273  -1.872
  196    H    LYS  27           H        LYS  27 -20.909   2.092  -2.573
  197    HA   LYS  27           HA       LYS  27 -18.198   1.503  -2.268
  198   1HB   LYS  27          2HB       LYS  27 -19.666   2.909  -4.061
  199   2HB   LYS  27          1HB       LYS  27 -18.857   4.221  -3.216
  200   1HG   LYS  27          2HG       LYS  27 -16.713   3.373  -3.781
  201   2HG   LYS  27          1HG       LYS  27 -17.398   1.861  -4.378
  202   1HD   LYS  27          2HD       LYS  27 -18.554   3.120  -6.156
  203   2HD   LYS  27          1HD       LYS  27 -17.788   4.601  -5.579
  204   1HE   LYS  27          2HE       LYS  27 -15.591   3.671  -6.054
  205   2HE   LYS  27          1HE       LYS  27 -16.328   2.157  -6.575
  206   1HZ   LYS  27          2HZ       LYS  27 -16.873   4.770  -7.868
  207   2HZ   LYS  27          1HZ       LYS  27 -15.687   3.691  -8.408
  208   3HZ   LYS  27          3HZ       LYS  27 -17.317   3.236  -8.426
  209    H    LEU  28           H        LEU  28 -19.859   2.612   0.228
  210    HA   LEU  28           HA       LEU  28 -17.553   3.801   1.427
  211   1HB   LEU  28          2HB       LEU  28 -18.744   5.614  -0.037
  212   2HB   LEU  28          1HB       LEU  28 -19.853   5.702   1.318
  213    HG   LEU  28           HG       LEU  28 -16.922   5.944   1.860
  214   1HD1  LEU  28          1HD1      LEU  28 -17.349   7.444  -0.048
  215   2HD1  LEU  28          3HD1      LEU  28 -18.634   8.221   0.878
  216   3HD1  LEU  28          2HD1      LEU  28 -16.962   8.319   1.432
  217   1HD2  LEU  28          2HD2      LEU  28 -18.945   5.898   3.538
  218   2HD2  LEU  28          1HD2      LEU  28 -17.581   6.984   3.792
  219   3HD2  LEU  28          3HD2      LEU  28 -19.076   7.596   3.083
  220    H    ASP  29           H        ASP  29 -21.057   3.255   1.692
  221    HA   ASP  29           HA       ASP  29 -21.162   3.647   4.493
  222   1HB   ASP  29          2HB       ASP  29 -23.019   3.013   2.437
  223   2HB   ASP  29          1HB       ASP  29 -23.186   1.765   3.663
  224    H    LYS  30           H        LYS  30 -19.828   1.170   2.630
  225    HA   LYS  30           HA       LYS  30 -19.389  -0.425   5.035
  226   1HB   LYS  30          2HB       LYS  30 -20.522  -1.513   2.456
  227   2HB   LYS  30          1HB       LYS  30 -19.810  -2.528   3.702
  228   1HG   LYS  30          2HG       LYS  30 -22.059  -0.656   4.341
  229   2HG   LYS  30          1HG       LYS  30 -22.364  -2.243   3.634
  230   1HD   LYS  30          2HD       LYS  30 -20.569  -2.114   5.999
  231   2HD   LYS  30          1HD       LYS  30 -22.292  -1.847   6.267
  232   1HE   LYS  30          2HE       LYS  30 -22.804  -3.976   5.211
  233   2HE   LYS  30          1HE       LYS  30 -21.093  -4.237   4.870
  234   1HZ   LYS  30          1HZ       LYS  30 -22.191  -3.915   7.607
  235   2HZ   LYS  30          3HZ       LYS  30 -21.943  -5.417   6.867
  236   3HZ   LYS  30          2HZ       LYS  30 -20.628  -4.399   7.180
  237    H    HIS  31           H        HIS  31 -18.107   1.215   2.578
  238    HA   HIS  31           HA       HIS  31 -16.043   1.329   1.633
  239   1HB   HIS  31          2HB       HIS  31 -15.142  -0.889   3.463
  240   2HB   HIS  31          1HB       HIS  31 -14.195   0.444   2.807
  241    HD1  HIS  31           HD1      HIS  31 -14.709  -0.380   5.914
  242    HD2  HIS  31           HD2      HIS  31 -16.303   2.838   3.825
  243    HE1  HIS  31           HE1      HIS  31 -15.336   1.316   7.664
  244    HE2  HIS  31           HE2      HIS  31 -16.208   3.293   6.368
  245    H    ALA  32           H        ALA  32 -17.917  -0.199   0.324
  246    HA   ALA  32           HA       ALA  32 -16.656  -2.685  -0.489
  247   1HB   ALA  32          1HB       ALA  32 -19.258  -2.015  -0.229
  248   2HB   ALA  32          3HB       ALA  32 -19.040  -1.728  -1.955
  249   3HB   ALA  32          2HB       ALA  32 -18.689  -3.315  -1.272
  250    H    ARG  33           H        ARG  33 -16.981  -3.010  -3.053
  251    HA   ARG  33           HA       ARG  33 -15.212  -1.030  -4.253
  252   1HB   ARG  33          2HB       ARG  33 -14.707  -3.472  -4.417
  253   2HB   ARG  33          1HB       ARG  33 -16.176  -3.672  -5.360
  254   1HG   ARG  33          2HG       ARG  33 -14.616  -3.529  -7.023
  255   2HG   ARG  33          1HG       ARG  33 -15.120  -1.845  -6.888
  256   1HD   ARG  33          2HD       ARG  33 -12.963  -1.314  -6.602
  257   2HD   ARG  33          1HD       ARG  33 -13.021  -2.134  -5.047
  258    HE   ARG  33           HE       ARG  33 -12.232  -4.137  -6.173
  259   1HH1  ARG  33          1HH2      ARG  33 -11.898  -1.123  -7.914
  260   2HH1  ARG  33          2HH2      ARG  33 -10.645  -1.720  -8.945
  261   1HH2  ARG  33          2HH1      ARG  33 -10.588  -4.911  -7.536
  262   2HH2  ARG  33          1HH1      ARG  33  -9.901  -3.864  -8.731
  263    H    SER  34           H        SER  34 -18.421  -2.388  -4.581
  264    HA   SER  34           HA       SER  34 -19.450  -0.105  -5.897
  265   1HB   SER  34          2HB       SER  34 -20.009  -1.147  -8.079
  266   2HB   SER  34          1HB       SER  34 -18.266  -0.993  -7.850
  267    HG   SER  34           HG       SER  34 -19.788  -3.345  -7.377
  268    H    GLY  35           H        GLY  35 -21.592  -1.417  -7.290
  269   1HA   GLY  35          2HA       GLY  35 -22.918  -3.477  -6.251
  270   2HA   GLY  35          1HA       GLY  35 -23.083  -2.310  -4.951
  271    H    GLU  36           H        GLU  36 -25.326  -3.175  -5.849
  272    HA   GLU  36           HA       GLU  36 -26.726  -0.929  -6.705
  273   1HB   GLU  36          2HB       GLU  36 -27.522  -1.872  -8.945
  274   2HB   GLU  36          1HB       GLU  36 -25.924  -1.143  -8.908
  275   1HG   GLU  36          2HG       GLU  36 -25.237  -3.679  -8.421
  276   2HG   GLU  36          1HG       GLU  36 -26.720  -3.957  -9.329
  277    H    CYS  37           H        CYS  37 -29.059  -1.488  -7.178
  278    HA   CYS  37           HA       CYS  37 -29.812  -3.617  -5.364
  279   1HB   CYS  37          2HB       CYS  37 -30.973  -1.122  -6.272
  280   2HB   CYS  37          1HB       CYS  37 -32.155  -2.427  -6.300
  281    H    PHE  38           H        PHE  38 -31.164  -5.334  -5.828
  282    HA   PHE  38           HA       PHE  38 -31.885  -5.800  -8.623
  283   1HB   PHE  38          2HB       PHE  38 -30.051  -7.562  -7.013
  284   2HB   PHE  38          1HB       PHE  38 -30.981  -8.190  -8.363
  285    HD1  PHE  38           HD1      PHE  38 -30.786  -6.456 -10.509
  286    HD2  PHE  38           HD2      PHE  38 -27.857  -7.162  -7.500
  287    HE1  PHE  38           HE1      PHE  38 -29.018  -5.740 -12.062
  288    HE2  PHE  38           HE2      PHE  38 -26.088  -6.448  -9.046
  289    HZ   PHE  38           HZ       PHE  38 -26.665  -5.732 -11.330
  290    H    TYR  39           H        TYR  39 -33.326  -7.606  -8.917
  291    HA   TYR  39           HA       TYR  39 -35.165  -7.874  -6.669
  292   1HB   TYR  39          2HB       TYR  39 -35.368  -8.074  -9.625
  293   2HB   TYR  39          1HB       TYR  39 -36.450  -9.104  -8.696
  294    HD1  TYR  39           HD1      TYR  39 -38.075  -8.073  -7.120
  295    HD2  TYR  39           HD2      TYR  39 -35.754  -5.735  -9.812
  296    HE1  TYR  39           HE1      TYR  39 -39.648  -6.203  -6.842
  297    HE2  TYR  39           HE2      TYR  39 -37.322  -3.854  -9.541
  298    HH   TYR  39           HH       TYR  39 -40.311  -4.106  -8.400
  299    H    ASP  40           H        ASP  40 -33.973  -9.416  -5.419
  300    HA   ASP  40           HA       ASP  40 -32.797 -11.732  -6.204
  301   1HB   ASP  40          2HB       ASP  40 -34.373 -12.372  -3.879
  302   2HB   ASP  40          1HB       ASP  40 -32.648 -12.042  -3.981
  303    H    GLU  41           H        GLU  41 -33.632 -14.020  -5.951
  304    HA   GLU  41           HA       GLU  41 -35.605 -14.473  -7.892
  305   1HB   GLU  41          2HB       GLU  41 -33.684 -16.008  -7.075
  306   2HB   GLU  41          1HB       GLU  41 -34.835 -16.542  -5.856
  307   1HG   GLU  41          2HG       GLU  41 -36.401 -16.923  -7.902
  308   2HG   GLU  41          1HG       GLU  41 -34.892 -16.926  -8.812
  309    H    LYS  42           H        LYS  42 -36.124 -13.344  -4.859
  310    HA   LYS  42           HA       LYS  42 -38.689 -14.775  -4.559
  311   1HB   LYS  42          2HB       LYS  42 -37.186 -13.191  -2.479
  312   2HB   LYS  42          1HB       LYS  42 -38.641 -14.143  -2.221
  313   1HG   LYS  42          2HG       LYS  42 -37.414 -16.176  -2.816
  314   2HG   LYS  42          1HG       LYS  42 -35.949 -15.217  -3.040
  315   1HD   LYS  42          2HD       LYS  42 -37.499 -15.583  -0.481
  316   2HD   LYS  42          1HD       LYS  42 -35.912 -16.255  -0.860
  317   1HE   LYS  42          2HE       LYS  42 -35.250 -14.431   0.334
  318   2HE   LYS  42          1HE       LYS  42 -35.349 -13.688  -1.261
  319   1HZ   LYS  42          3HZ       LYS  42 -37.881 -13.520  -0.162
  320   2HZ   LYS  42          2HZ       LYS  42 -36.818 -13.079   1.077
  321   3HZ   LYS  42          1HZ       LYS  42 -36.782 -12.256  -0.400
  322    H    ARG  43           H        ARG  43 -37.906 -12.272  -6.196
  323    HA   ARG  43           HA       ARG  43 -38.907 -10.330  -6.824
  324   1HB   ARG  43          2HB       ARG  43 -41.060 -11.926  -5.593
  325   2HB   ARG  43          1HB       ARG  43 -41.396 -10.205  -5.688
  326   1HG   ARG  43          2HG       ARG  43 -42.282 -11.300  -7.624
  327   2HG   ARG  43          1HG       ARG  43 -40.929 -10.276  -8.106
  328   1HD   ARG  43          2HD       ARG  43 -39.492 -12.133  -8.370
  329   2HD   ARG  43          1HD       ARG  43 -40.614 -13.211  -7.538
  330    HE   ARG  43           HE       ARG  43 -42.116 -12.621  -9.574
  331   1HH1  ARG  43          1HH2      ARG  43 -38.666 -13.097  -9.602
  332   2HH1  ARG  43          2HH2      ARG  43 -38.626 -13.658 -11.240
  333   1HH2  ARG  43          2HH1      ARG  43 -42.074 -13.358 -11.733
  334   2HH2  ARG  43          1HH1      ARG  43 -40.564 -13.806 -12.452
  335    H    ASN  44           H        ASN  44 -37.138  -9.677  -5.133
  336    HA   ASN  44           HA       ASN  44 -38.378  -7.664  -3.432
  337   1HB   ASN  44          2HB       ASN  44 -36.598  -9.870  -2.428
  338   2HB   ASN  44          1HB       ASN  44 -36.687  -8.323  -1.591
  339   1HD2  ASN  44          2HD2      ASN  44 -39.117 -10.785  -0.178
  340   2HD2  ASN  44          1HD2      ASN  44 -37.426 -10.841  -0.530
  341    H    LEU  45           H        LEU  45 -37.319  -5.775  -3.568
  342    HA   LEU  45           HA       LEU  45 -34.877  -5.673  -5.124
  343   1HB   LEU  45          2HB       LEU  45 -36.948  -3.749  -4.250
  344   2HB   LEU  45          1HB       LEU  45 -35.336  -3.088  -4.448
  345    HG   LEU  45           HG       LEU  45 -36.598  -4.705  -6.631
  346   1HD1  LEU  45          2HD1      LEU  45 -37.009  -1.779  -6.045
  347   2HD1  LEU  45          1HD1      LEU  45 -37.340  -2.528  -7.607
  348   3HD1  LEU  45          3HD1      LEU  45 -38.244  -3.030  -6.179
  349   1HD2  LEU  45          1HD2      LEU  45 -34.129  -4.021  -6.542
  350   2HD2  LEU  45          3HD2      LEU  45 -35.028  -3.676  -8.019
  351   3HD2  LEU  45          2HD2      LEU  45 -34.711  -2.387  -6.858
  352    H    GLN  46           H        GLN  46 -33.130  -6.297  -3.972
  353    HA   GLN  46           HA       GLN  46 -32.649  -4.936  -1.389
  354   1HB   GLN  46          2HB       GLN  46 -31.494  -7.560  -2.346
  355   2HB   GLN  46          1HB       GLN  46 -31.196  -6.802  -0.787
  356   1HG   GLN  46          2HG       GLN  46 -33.595  -7.006  -0.261
  357   2HG   GLN  46          1HG       GLN  46 -33.834  -7.848  -1.792
  358   1HE2  GLN  46          2HE2      GLN  46 -31.259  -9.937   0.521
  359   2HE2  GLN  46          1HE2      GLN  46 -30.901  -8.350  -0.051
  360    H    CYS  47           H        CYS  47 -30.670  -4.026  -0.953
  361    HA   CYS  47           HA       CYS  47 -29.182  -3.138  -3.262
  362   1HB   CYS  47          2HB       CYS  47 -29.458  -2.308  -0.460
  363   2HB   CYS  47          1HB       CYS  47 -27.836  -2.111  -1.105
  364    H    ILE  48           H        ILE  48 -27.878  -4.660  -4.094
  365    HA   ILE  48           HA       ILE  48 -26.261  -6.324  -2.347
  366    HB   ILE  48           HB       ILE  48 -26.836  -6.313  -5.285
  367   1HG1  ILE  48          2HG1      ILE  48 -26.842  -8.928  -4.140
  368   2HG1  ILE  48          1HG1      ILE  48 -27.667  -7.875  -3.002
  369   1HG2  ILE  48          1HG2      ILE  48 -24.517  -7.697  -3.963
  370   2HG2  ILE  48          3HG2      ILE  48 -25.177  -8.180  -5.526
  371   3HG2  ILE  48          2HG2      ILE  48 -24.484  -6.574  -5.325
  372   1HD1  ILE  48          1HD1      ILE  48 -28.979  -7.070  -5.077
  373   2HD1  ILE  48          3HD1      ILE  48 -28.401  -8.572  -5.801
  374   3HD1  ILE  48          2HD1      ILE  48 -29.376  -8.619  -4.332
  375    H    CYS  49           H        CYS  49 -24.468  -5.532  -1.557
  376    HA   CYS  49           HA       CYS  49 -22.954  -3.514  -3.032
  377   1HB   CYS  49          2HB       CYS  49 -22.693  -4.564  -0.210
  378   2HB   CYS  49          1HB       CYS  49 -21.652  -3.329  -0.907
  379    H    ASP  50           H        ASP  50 -21.196  -4.016  -4.176
  380    HA   ASP  50           HA       ASP  50 -20.107  -6.725  -3.966
  381   1HB   ASP  50          2HB       ASP  50 -20.740  -5.918  -6.201
  382   2HB   ASP  50          1HB       ASP  50 -19.617  -4.571  -6.037
  383    H    TYR  51           H        TYR  51 -18.052  -7.201  -3.471
  384    HA   TYR  51           HA       TYR  51 -16.286  -4.997  -2.614
  385   1HB   TYR  51          2HB       TYR  51 -16.803  -7.627  -1.229
  386   2HB   TYR  51          1HB       TYR  51 -15.591  -6.450  -0.725
  387    HD1  TYR  51           HD1      TYR  51 -19.223  -6.971  -1.195
  388    HD2  TYR  51           HD2      TYR  51 -16.196  -4.652   0.689
  389    HE1  TYR  51           HE1      TYR  51 -20.928  -5.871   0.176
  390    HE2  TYR  51           HE2      TYR  51 -17.901  -3.539   2.072
  391    HH   TYR  51           HH       TYR  51 -21.304  -4.510   1.922
  392    H    CYS  52           H        CYS  52 -15.590  -5.568  -4.953
  393    HA   CYS  52           HA       CYS  52 -13.814  -7.903  -5.010
  394   1HB   CYS  52          2HB       CYS  52 -14.730  -6.054  -7.208
  395   2HB   CYS  52          1HB       CYS  52 -13.640  -7.414  -7.441
  396    H    GLU  53           H        GLU  53 -13.150  -5.626  -3.417
  397    HA   GLU  53           HA       GLU  53 -11.536  -3.692  -4.286
  398   1HB   GLU  53          2HB       GLU  53 -10.035  -4.140  -2.309
  399   2HB   GLU  53          1HB       GLU  53 -11.750  -4.012  -1.941
  400   1HG   GLU  53          2HG       GLU  53 -10.178  -6.567  -2.208
  401   2HG   GLU  53          1HG       GLU  53 -10.719  -5.825  -0.703
  402    H    TYR  54           HN       TYR  54 -10.499  -7.082  -3.994
  403    HA   TYR  54           HA       TYR  54  -8.169  -6.450  -5.692
  404   1HB   TYR  54          2HB       TYR  54  -8.602  -8.442  -3.499
  405   2HB   TYR  54          1HB       TYR  54  -7.426  -8.793  -4.762
  406    HD1  TYR  54           HD2      TYR  54  -5.639  -6.979  -5.210
  407    HD2  TYR  54           HD1      TYR  54  -7.976  -7.147  -1.661
  408    HE1  TYR  54           HE2      TYR  54  -3.969  -5.598  -4.055
  409    HE2  TYR  54           HE1      TYR  54  -6.311  -5.763  -0.493
  410    HH   TYR  54           HH       TYR  54  -3.518  -5.385  -1.047
   
  No H/Q in entry =         410
  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1 -18.153 -15.239   2.274
    2    HA   PCA   1           HA       PCA   1 -17.690 -13.526   0.445
    3   1HB   PCA   1          1HB       PCA   1 -15.645 -12.564   0.524
    4   2HB   PCA   1          2HB       PCA   1 -14.879 -14.123   0.136
    5   1HG   PCA   1          1HG       PCA   1 -15.039 -12.794   2.703
    6   2HG   PCA   1          2HG       PCA   1 -14.267 -14.344   2.322
    7    H    ASP   2           H        ASP   2 -18.931 -15.116  -0.624
    8    HA   ASP   2           HA       ASP   2 -17.574 -17.474  -1.655
    9   1HB   ASP   2          2HB       ASP   2 -19.753 -18.166  -2.464
   10   2HB   ASP   2          1HB       ASP   2 -19.898 -17.637  -0.790
   11    H    LYS   3           H        LYS   3 -19.136 -14.536  -2.888
   12    HA   LYS   3           HA       LYS   3 -17.576 -14.836  -5.354
   13   1HB   LYS   3          2HB       LYS   3 -20.359 -15.216  -5.202
   14   2HB   LYS   3          1HB       LYS   3 -20.152 -13.628  -5.923
   15   1HG   LYS   3          2HG       LYS   3 -18.676 -16.032  -6.945
   16   2HG   LYS   3          1HG       LYS   3 -20.306 -15.630  -7.486
   17   1HD   LYS   3          2HD       LYS   3 -18.255 -13.476  -7.540
   18   2HD   LYS   3          1HD       LYS   3 -18.143 -14.751  -8.756
   19   1HE   LYS   3          2HE       LYS   3 -20.388 -14.294  -9.507
   20   2HE   LYS   3          1HE       LYS   3 -20.622 -13.123  -8.209
   21   1HZ   LYS   3          1HZ       LYS   3 -18.585 -12.843 -10.352
   22   2HZ   LYS   3          3HZ       LYS   3 -20.112 -12.115 -10.395
   23   3HZ   LYS   3          2HZ       LYS   3 -19.005 -11.688  -9.191
   24    H    CYS   4           H        CYS   4 -17.255 -13.195  -2.956
   25    HA   CYS   4           HA       CYS   4 -16.731 -11.062  -2.379
   26   1HB   CYS   4          2HB       CYS   4 -16.149 -11.248  -5.291
   27   2HB   CYS   4          1HB       CYS   4 -16.062  -9.657  -4.547
   28    H    LYS   5           H        LYS   5 -19.499 -11.501  -2.576
   29    HA   LYS   5           HA       LYS   5 -20.389  -8.781  -3.148
   30   1HB   LYS   5          2HB       LYS   5 -22.346  -9.541  -4.412
   31   2HB   LYS   5          1HB       LYS   5 -20.847  -9.980  -5.221
   32   1HG   LYS   5          2HG       LYS   5 -21.855 -11.988  -5.427
   33   2HG   LYS   5          1HG       LYS   5 -21.271 -12.218  -3.779
   34   1HD   LYS   5          2HD       LYS   5 -23.552 -11.075  -3.149
   35   2HD   LYS   5          1HD       LYS   5 -24.027 -11.626  -4.757
   36   1HE   LYS   5          2HE       LYS   5 -24.647 -13.432  -3.485
   37   2HE   LYS   5          1HE       LYS   5 -23.009 -13.898  -3.939
   38   1HZ   LYS   5          3HZ       LYS   5 -23.593 -12.467  -1.415
   39   2HZ   LYS   5          2HZ       LYS   5 -23.640 -14.154  -1.521
   40   3HZ   LYS   5          1HZ       LYS   5 -22.197 -13.330  -1.831
   41    H    LYS   6           H        LYS   6 -21.899  -8.048  -1.747
   42    HA   LYS   6           HA       LYS   6 -23.479  -9.900  -0.168
   43   1HB   LYS   6          2HB       LYS   6 -21.642  -7.941   1.213
   44   2HB   LYS   6          1HB       LYS   6 -22.706  -9.113   1.976
   45   1HG   LYS   6          2HG       LYS   6 -21.356 -10.921   0.911
   46   2HG   LYS   6          1HG       LYS   6 -20.231  -9.676   0.363
   47   1HD   LYS   6          2HD       LYS   6 -20.955 -10.292   3.226
   48   2HD   LYS   6          1HD       LYS   6 -19.436 -10.698   2.424
   49   1HE   LYS   6          2HE       LYS   6 -18.828  -8.766   3.490
   50   2HE   LYS   6          1HE       LYS   6 -19.380  -8.113   1.948
   51   1HZ   LYS   6          1HZ       LYS   6 -21.574  -7.750   3.018
   52   2HZ   LYS   6          3HZ       LYS   6 -20.890  -8.195   4.500
   53   3HZ   LYS   6          2HZ       LYS   6 -20.329  -6.822   3.688
   54    H    VAL   7           H        VAL   7 -25.425  -9.063   0.333
   55    HA   VAL   7           HA       VAL   7 -26.188  -6.572  -0.734
   56    HB   VAL   7           HB       VAL   7 -28.297  -7.278  -0.424
   57   1HG1  VAL   7          1HG1      VAL   7 -27.067  -9.373  -0.945
   58   2HG1  VAL   7          3HG1      VAL   7 -27.076  -9.744   0.781
   59   3HG1  VAL   7          2HG1      VAL   7 -28.597  -9.614  -0.099
   60   1HG2  VAL   7          2HG2      VAL   7 -27.577  -7.862   2.446
   61   2HG2  VAL   7          1HG2      VAL   7 -28.489  -6.487   1.825
   62   3HG2  VAL   7          3HG2      VAL   7 -29.184  -8.107   1.766
   63    H    TYR   8           H        TYR   8 -26.978  -4.698   0.327
   64    HA   TYR   8           HA       TYR   8 -25.523  -4.146   2.800
   65   1HB   TYR   8          2HB       TYR   8 -25.185  -2.478   1.115
   66   2HB   TYR   8          1HB       TYR   8 -26.911  -2.335   0.820
   67    HD1  TYR   8           HD2      TYR   8 -25.982  -2.577   4.328
   68    HD2  TYR   8           HD1      TYR   8 -26.490   0.124   1.068
   69    HE1  TYR   8           HE2      TYR   8 -26.075  -0.702   5.900
   70    HE2  TYR   8           HE1      TYR   8 -26.578   2.008   2.650
   71    HH   TYR   8           HH       TYR   8 -25.500   2.152   5.408
   72    H    GLU   9           H        GLU   9 -26.707  -4.998   4.426
   73    HA   GLU   9           HA       GLU   9 -29.514  -4.943   4.527
   74   1HB   GLU   9          2HB       GLU   9 -27.831  -5.090   7.003
   75   2HB   GLU   9          1HB       GLU   9 -29.337  -5.924   6.640
   76   1HG   GLU   9          2HG       GLU   9 -28.184  -7.350   5.047
   77   2HG   GLU   9          1HG       GLU   9 -26.673  -6.497   5.360
   78    H    ASN  10           H        ASN  10 -30.766  -3.199   4.777
   79    HA   ASN  10           HA       ASN  10 -30.569  -1.406   6.914
   80   1HB   ASN  10          2HB       ASN  10 -28.574  -0.617   5.595
   81   2HB   ASN  10          1HB       ASN  10 -29.670  -0.150   4.310
   82   1HD2  ASN  10          2HD2      ASN  10 -28.874   2.409   7.162
   83   2HD2  ASN  10          1HD2      ASN  10 -27.916   1.050   6.690
   84    H    TYR  11           H        TYR  11 -31.279   0.090   3.840
   85    HA   TYR  11           HA       TYR  11 -33.868   0.748   4.529
   86   1HB   TYR  11          2HB       TYR  11 -33.752   0.483   1.665
   87   2HB   TYR  11          1HB       TYR  11 -33.727   1.949   2.634
   88    HD1  TYR  11           HD1      TYR  11 -31.394   2.582   3.655
   89    HD2  TYR  11           HD2      TYR  11 -31.926  -0.040   0.342
   90    HE1  TYR  11           HE1      TYR  11 -29.080   3.011   2.940
   91    HE2  TYR  11           HE2      TYR  11 -29.627   0.382  -0.363
   92    HH   TYR  11           HH       TYR  11 -27.842   2.864   0.521
   93    HA   PRO  12           HA       PRO  12 -36.195  -2.960   3.914
   94   1HB   PRO  12          2HB       PRO  12 -38.656  -1.963   3.471
   95   2HB   PRO  12          1HB       PRO  12 -37.872  -1.836   5.051
   96   1HG   PRO  12          2HG       PRO  12 -38.096   0.218   2.882
   97   2HG   PRO  12          1HG       PRO  12 -38.328   0.407   4.631
   98   1HD   PRO  12          2HD       PRO  12 -36.027   1.096   3.349
   99   2HD   PRO  12          1HD       PRO  12 -36.074   0.556   5.040
  100    H    VAL  13           H        VAL  13 -35.149  -1.140   1.521
  101    HA   VAL  13           HA       VAL  13 -34.755  -1.874  -0.660
  102    HB   VAL  13           HB       VAL  13 -37.509  -3.090  -0.555
  103   1HG1  VAL  13          3HG1      VAL  13 -35.615  -2.588  -2.774
  104   2HG1  VAL  13          2HG1      VAL  13 -36.501  -4.113  -2.777
  105   3HG1  VAL  13          1HG1      VAL  13 -37.379  -2.585  -2.769
  106   1HG2  VAL  13          1HG2      VAL  13 -34.759  -4.157  -0.200
  107   2HG2  VAL  13          3HG2      VAL  13 -36.257  -4.644   0.587
  108   3HG2  VAL  13          2HG2      VAL  13 -35.922  -5.161  -1.062
  109    H    SER  14           H        SER  14 -36.692   0.229   0.800
  110    HA   SER  14           HA       SER  14 -38.315   1.306  -1.219
  111   1HB   SER  14          2HB       SER  14 -38.579   3.191   0.180
  112   2HB   SER  14          1HB       SER  14 -38.280   1.860   1.299
  113    HG   SER  14           HG       SER  14 -37.021   3.728   1.772
  114    H    LYS  15           H        LYS  15 -35.394   2.935   0.003
  115    HA   LYS  15           HA       LYS  15 -35.008   4.385  -2.401
  116   1HB   LYS  15          2HB       LYS  15 -33.275   3.892   0.016
  117   2HB   LYS  15          1HB       LYS  15 -32.703   4.835  -1.354
  118   1HG   LYS  15          2HG       LYS  15 -34.550   6.407  -1.047
  119   2HG   LYS  15          1HG       LYS  15 -35.123   5.462   0.329
  120   1HD   LYS  15          2HD       LYS  15 -33.424   6.160   1.693
  121   2HD   LYS  15          1HD       LYS  15 -32.296   6.378   0.355
  122   1HE   LYS  15          2HE       LYS  15 -34.573   8.186   1.143
  123   2HE   LYS  15          1HE       LYS  15 -32.849   8.534   1.242
  124   1HZ   LYS  15          1HZ       LYS  15 -32.809   8.255  -1.238
  125   2HZ   LYS  15          3HZ       LYS  15 -34.501   8.254  -1.200
  126   3HZ   LYS  15          2HZ       LYS  15 -33.644   9.615  -0.676
  127    H    CYS  16           H        CYS  16 -34.663   3.235  -4.231
  128    HA   CYS  16           HA       CYS  16 -32.153   2.006  -4.656
  129   1HB   CYS  16          2HB       CYS  16 -34.120   0.316  -3.514
  130   2HB   CYS  16          1HB       CYS  16 -33.949  -0.188  -5.190
  131    H    GLN  17           H        GLN  17 -34.051   3.934  -5.850
  132    HA   GLN  17           HA       GLN  17 -34.374   2.698  -8.513
  133   1HB   GLN  17          2HB       GLN  17 -35.868   5.075  -7.395
  134   2HB   GLN  17          1HB       GLN  17 -36.147   4.298  -8.948
  135   1HG   GLN  17          2HG       GLN  17 -36.721   2.208  -7.682
  136   2HG   GLN  17          1HG       GLN  17 -36.674   3.176  -6.212
  137   1HE2  GLN  17          2HE2      GLN  17 -40.122   3.480  -6.763
  138   2HE2  GLN  17          1HE2      GLN  17 -38.880   2.660  -5.886
  139    H    LEU  18           H        LEU  18 -31.897   3.781  -7.646
  140    HA   LEU  18           HA       LEU  18 -31.314   5.507  -9.807
  141   1HB   LEU  18          2HB       LEU  18 -32.002   6.709  -7.246
  142   2HB   LEU  18          1HB       LEU  18 -30.404   7.193  -7.786
  143    HG   LEU  18           HG       LEU  18 -32.685   7.345  -9.693
  144   1HD1  LEU  18          2HD1      LEU  18 -32.209   9.118  -7.340
  145   2HD1  LEU  18          1HD1      LEU  18 -32.810   9.810  -8.846
  146   3HD1  LEU  18          3HD1      LEU  18 -33.730   8.547  -8.028
  147   1HD2  LEU  18          1HD2      LEU  18 -30.155   8.933  -9.289
  148   2HD2  LEU  18          3HD2      LEU  18 -30.463   7.737 -10.548
  149   3HD2  LEU  18          2HD2      LEU  18 -31.361   9.254 -10.534
  150    H    ALA  19           H        ALA  19 -29.378   4.851 -10.428
  151    HA   ALA  19           HA       ALA  19 -27.642   3.266  -8.889
  152   1HB   ALA  19          2HB       ALA  19 -27.784   3.467 -11.427
  153   2HB   ALA  19          1HB       ALA  19 -26.767   4.898 -11.252
  154   3HB   ALA  19          3HB       ALA  19 -26.174   3.324 -10.721
  155    H    ASN  20           H        ASN  20 -28.066   5.253  -7.156
  156    HA   ASN  20           HA       ASN  20 -25.439   6.535  -6.992
  157   1HB   ASN  20          2HB       ASN  20 -27.065   8.162  -7.964
  158   2HB   ASN  20          1HB       ASN  20 -28.022   8.026  -6.491
  159   1HD2  ASN  20          2HD2      ASN  20 -24.522   9.280  -5.167
  160   2HD2  ASN  20          1HD2      ASN  20 -24.917   7.649  -5.578
  161    H    GLN  21           H        GLN  21 -28.323   7.070  -5.012
  162    HA   GLN  21           HA       GLN  21 -27.225   7.033  -2.562
  163   1HB   GLN  21          2HB       GLN  21 -29.604   7.388  -2.890
  164   2HB   GLN  21          1HB       GLN  21 -29.824   5.707  -3.361
  165   1HG   GLN  21          2HG       GLN  21 -30.597   6.031  -1.113
  166   2HG   GLN  21          1HG       GLN  21 -29.163   5.009  -1.100
  167   1HE2  GLN  21          2HE2      GLN  21 -27.949   8.711  -0.182
  168   2HE2  GLN  21          1HE2      GLN  21 -28.479   8.242  -1.758
  169    H    CYS  22           H        CYS  22 -28.568   4.067  -4.004
  170    HA   CYS  22           HA       CYS  22 -27.507   2.312  -2.096
  171   1HB   CYS  22          2HB       CYS  22 -29.361   1.675  -3.502
  172   2HB   CYS  22          1HB       CYS  22 -28.367   1.820  -4.950
  173    H    ASN  23           H        ASN  23 -26.323   2.947  -5.420
  174    HA   ASN  23           HA       ASN  23 -24.095   1.287  -5.319
  175   1HB   ASN  23          2HB       ASN  23 -25.052   2.649  -7.302
  176   2HB   ASN  23          1HB       ASN  23 -24.019   3.951  -6.722
  177   1HD2  ASN  23          2HD2      ASN  23 -21.014   1.962  -7.324
  178   2HD2  ASN  23          1HD2      ASN  23 -21.754   2.790  -6.000
  179    H    TYR  24           H        TYR  24 -24.035   4.830  -4.875
  180    HA   TYR  24           HA       TYR  24 -21.462   5.055  -3.913
  181   1HB   TYR  24          2HB       TYR  24 -22.436   7.114  -4.315
  182   2HB   TYR  24          1HB       TYR  24 -23.951   6.668  -3.544
  183    HD1  TYR  24           HD1      TYR  24 -20.519   6.451  -2.142
  184    HD2  TYR  24           HD2      TYR  24 -24.296   8.397  -2.006
  185    HE1  TYR  24           HE1      TYR  24 -19.822   7.646  -0.116
  186    HE2  TYR  24           HE2      TYR  24 -23.611   9.600   0.025
  187    HH   TYR  24           HH       TYR  24 -22.063   9.612   1.727
  188    H    ASP  25           H        ASP  25 -24.433   4.241  -2.171
  189    HA   ASP  25           HA       ASP  25 -23.436   4.339   0.418
  190   1HB   ASP  25          2HB       ASP  25 -25.651   2.833  -0.886
  191   2HB   ASP  25          1HB       ASP  25 -25.163   2.338   0.729
  192    H    CYS  26           H        CYS  26 -23.662   1.445  -1.687
  193    HA   CYS  26           HA       CYS  26 -22.243  -0.297  -0.054
  194   1HB   CYS  26          2HB       CYS  26 -22.407  -0.106  -3.068
  195   2HB   CYS  26          1HB       CYS  26 -21.528  -1.395  -2.260
  196    H    LYS  27           H        LYS  27 -21.112   2.009  -2.457
  197    HA   LYS  27           HA       LYS  27 -18.387   1.431  -2.387
  198   1HB   LYS  27          2HB       LYS  27 -19.713   2.911  -4.002
  199   2HB   LYS  27          1HB       LYS  27 -19.501   4.192  -2.817
  200   1HG   LYS  27          2HG       LYS  27 -17.312   4.484  -3.319
  201   2HG   LYS  27          1HG       LYS  27 -17.040   2.770  -3.620
  202   1HD   LYS  27          2HD       LYS  27 -16.781   4.000  -5.683
  203   2HD   LYS  27          1HD       LYS  27 -18.226   2.992  -5.778
  204   1HE   LYS  27          2HE       LYS  27 -19.381   5.191  -4.871
  205   2HE   LYS  27          1HE       LYS  27 -17.974   5.952  -5.612
  206   1HZ   LYS  27          2HZ       LYS  27 -19.054   4.055  -7.390
  207   2HZ   LYS  27          1HZ       LYS  27 -20.297   5.074  -6.866
  208   3HZ   LYS  27          3HZ       LYS  27 -18.915   5.729  -7.589
  209    H    LEU  28           H        LEU  28 -20.027   2.191   0.313
  210    HA   LEU  28           HA       LEU  28 -17.658   3.055   1.659
  211   1HB   LEU  28          2HB       LEU  28 -18.684   5.140   0.515
  212   2HB   LEU  28          1HB       LEU  28 -19.874   5.059   1.802
  213    HG   LEU  28           HG       LEU  28 -17.771   5.019   3.366
  214   1HD1  LEU  28          2HD1      LEU  28 -16.334   4.896   1.187
  215   2HD1  LEU  28          1HD1      LEU  28 -16.564   6.645   1.179
  216   3HD1  LEU  28          3HD1      LEU  28 -15.795   5.863   2.560
  217   1HD2  LEU  28          1HD2      LEU  28 -18.905   7.406   1.940
  218   2HD2  LEU  28          3HD2      LEU  28 -19.292   6.798   3.549
  219   3HD2  LEU  28          2HD2      LEU  28 -17.733   7.562   3.246
  220    H    ASP  29           H        ASP  29 -21.175   2.641   1.850
  221    HA   ASP  29           HA       ASP  29 -21.307   2.626   4.676
  222   1HB   ASP  29          2HB       ASP  29 -23.122   1.712   2.481
  223   2HB   ASP  29          1HB       ASP  29 -23.461   1.193   4.128
  224    H    LYS  30           H        LYS  30 -19.997   0.415   2.501
  225    HA   LYS  30           HA       LYS  30 -19.682  -1.551   4.643
  226   1HB   LYS  30          2HB       LYS  30 -20.820  -2.120   1.915
  227   2HB   LYS  30          1HB       LYS  30 -20.038  -3.372   2.869
  228   1HG   LYS  30          2HG       LYS  30 -22.196  -1.772   4.142
  229   2HG   LYS  30          1HG       LYS  30 -22.642  -3.002   2.959
  230   1HD   LYS  30          2HD       LYS  30 -21.749  -4.735   4.248
  231   2HD   LYS  30          1HD       LYS  30 -20.775  -3.631   5.222
  232   1HE   LYS  30          2HE       LYS  30 -23.717  -3.266   5.312
  233   2HE   LYS  30          1HE       LYS  30 -23.067  -4.704   6.097
  234   1HZ   LYS  30          3HZ       LYS  30 -22.198  -1.918   6.645
  235   2HZ   LYS  30          2HZ       LYS  30 -23.242  -2.824   7.619
  236   3HZ   LYS  30          1HZ       LYS  30 -21.634  -3.309   7.426
  237    H    HIS  31           H        HIS  31 -18.313   0.404   2.432
  238    HA   HIS  31           HA       HIS  31 -16.211   0.621   1.591
  239   1HB   HIS  31          2HB       HIS  31 -15.309  -1.825   3.070
  240   2HB   HIS  31          1HB       HIS  31 -14.433  -0.331   2.753
  241    HD1  HIS  31           HD1      HIS  31 -15.783  -2.052   5.475
  242    HD2  HIS  31           HD2      HIS  31 -15.988   1.911   4.242
  243    HE1  HIS  31           HE1      HIS  31 -16.391  -0.738   7.532
  244    HE2  HIS  31           HE2      HIS  31 -16.506   1.658   6.764
  245    H    ALA  32           H        ALA  32 -18.009  -0.681  -0.017
  246    HA   ALA  32           HA       ALA  32 -16.727  -3.079  -1.056
  247   1HB   ALA  32          1HB       ALA  32 -19.313  -2.516  -0.829
  248   2HB   ALA  32          3HB       ALA  32 -19.053  -1.860  -2.446
  249   3HB   ALA  32          2HB       ALA  32 -18.690  -3.555  -2.111
  250    H    ARG  33           H        ARG  33 -16.930  -3.089  -3.650
  251    HA   ARG  33           HA       ARG  33 -15.142  -0.946  -4.535
  252   1HB   ARG  33          2HB       ARG  33 -14.140  -2.933  -5.139
  253   2HB   ARG  33          1HB       ARG  33 -15.673  -3.756  -5.378
  254   1HG   ARG  33          2HG       ARG  33 -14.460  -3.498  -7.469
  255   2HG   ARG  33          1HG       ARG  33 -15.985  -2.617  -7.503
  256   1HD   ARG  33          2HD       ARG  33 -14.089  -0.782  -6.537
  257   2HD   ARG  33          1HD       ARG  33 -13.287  -1.632  -7.857
  258    HE   ARG  33           HE       ARG  33 -15.304   0.317  -8.105
  259   1HH1  ARG  33          1HH2      ARG  33 -14.308  -2.736  -9.455
  260   2HH1  ARG  33          2HH2      ARG  33 -15.017  -2.430 -11.005
  261   1HH2  ARG  33          2HH1      ARG  33 -16.247   0.727 -10.143
  262   2HH2  ARG  33          1HH1      ARG  33 -16.120  -0.463 -11.396
  263    H    SER  34           H        SER  34 -18.258  -2.364  -5.104
  264    HA   SER  34           HA       SER  34 -19.434  -0.099  -6.191
  265   1HB   SER  34          2HB       SER  34 -19.744  -0.915  -8.578
  266   2HB   SER  34          1HB       SER  34 -18.128  -0.330  -8.184
  267    HG   SER  34           HG       SER  34 -19.012  -2.919  -8.716
  268    H    GLY  35           H        GLY  35 -21.659  -0.404  -6.483
  269   1HA   GLY  35          2HA       GLY  35 -22.692  -3.139  -6.383
  270   2HA   GLY  35          1HA       GLY  35 -23.056  -2.099  -5.015
  271    H    GLU  36           H        GLU  36 -25.230  -2.912  -5.987
  272    HA   GLU  36           HA       GLU  36 -26.575  -0.668  -6.962
  273   1HB   GLU  36          2HB       GLU  36 -25.229  -2.075  -9.006
  274   2HB   GLU  36          1HB       GLU  36 -26.931  -2.463  -9.200
  275   1HG   GLU  36          2HG       GLU  36 -27.301   0.078  -9.012
  276   2HG   GLU  36          1HG       GLU  36 -25.576   0.193  -9.356
  277    H    CYS  37           H        CYS  37 -28.850  -1.220  -7.677
  278    HA   CYS  37           HA       CYS  37 -29.856  -3.277  -5.888
  279   1HB   CYS  37          2HB       CYS  37 -31.455  -1.357  -7.590
  280   2HB   CYS  37          1HB       CYS  37 -32.014  -2.267  -6.191
  281    H    PHE  38           H        PHE  38 -30.696  -5.169  -6.511
  282    HA   PHE  38           HA       PHE  38 -31.454  -5.582  -9.302
  283   1HB   PHE  38          2HB       PHE  38 -29.384  -7.228  -7.837
  284   2HB   PHE  38          1HB       PHE  38 -30.164  -7.744  -9.328
  285    HD1  PHE  38           HD2      PHE  38 -29.831  -6.382 -11.408
  286    HD2  PHE  38           HD1      PHE  38 -27.568  -5.750  -7.860
  287    HE1  PHE  38           HE2      PHE  38 -28.132  -5.171 -12.712
  288    HE2  PHE  38           HE1      PHE  38 -25.865  -4.538  -9.157
  289    HZ   PHE  38           HZ       PHE  38 -26.146  -4.247 -11.588
  290    H    TYR  39           H        TYR  39 -32.548  -7.713  -9.595
  291    HA   TYR  39           HA       TYR  39 -34.314  -8.163  -7.328
  292   1HB   TYR  39          2HB       TYR  39 -34.483  -8.527 -10.251
  293   2HB   TYR  39          1HB       TYR  39 -35.328  -9.741  -9.294
  294    HD1  TYR  39           HD1      TYR  39 -37.175  -9.086  -7.811
  295    HD2  TYR  39           HD2      TYR  39 -35.266  -6.261 -10.356
  296    HE1  TYR  39           HE1      TYR  39 -39.055  -7.535  -7.489
  297    HE2  TYR  39           HE2      TYR  39 -37.141  -4.701 -10.042
  298    HH   TYR  39           HH       TYR  39 -39.545  -4.813  -9.422
  299    H    ASP  40           H        ASP  40 -33.516  -9.532  -5.877
  300    HA   ASP  40           HA       ASP  40 -32.045 -11.899  -6.728
  301   1HB   ASP  40          2HB       ASP  40 -31.457 -12.177  -4.407
  302   2HB   ASP  40          1HB       ASP  40 -31.223 -10.486  -4.836
  303    H    GLU  41           H        GLU  41 -32.555 -13.818  -5.040
  304    HA   GLU  41           HA       GLU  41 -34.997 -14.901  -5.901
  305   1HB   GLU  41          2HB       GLU  41 -33.338 -15.795  -3.541
  306   2HB   GLU  41          1HB       GLU  41 -34.514 -16.761  -4.422
  307   1HG   GLU  41          2HG       GLU  41 -33.137 -17.032  -6.241
  308   2HG   GLU  41          1HG       GLU  41 -32.198 -15.582  -5.880
  309    H    LYS  42           H        LYS  42 -35.581 -12.413  -4.706
  310    HA   LYS  42           HA       LYS  42 -37.489 -13.311  -2.695
  311   1HB   LYS  42          2HB       LYS  42 -35.153 -12.088  -1.891
  312   2HB   LYS  42          1HB       LYS  42 -36.255 -10.726  -1.987
  313   1HG   LYS  42          2HG       LYS  42 -37.560 -12.875  -0.583
  314   2HG   LYS  42          1HG       LYS  42 -35.969 -12.608   0.117
  315   1HD   LYS  42          2HD       LYS  42 -37.452 -11.207   1.302
  316   2HD   LYS  42          1HD       LYS  42 -36.556 -10.150   0.211
  317   1HE   LYS  42          2HE       LYS  42 -38.418  -9.562  -0.919
  318   2HE   LYS  42          1HE       LYS  42 -39.041 -11.210  -0.937
  319   1HZ   LYS  42          1HZ       LYS  42 -39.126  -9.491   1.473
  320   2HZ   LYS  42          3HZ       LYS  42 -40.384  -9.550   0.342
  321   3HZ   LYS  42          2HZ       LYS  42 -39.953 -10.942   1.202
  322    H    ARG  43           H        ARG  43 -37.418 -12.282  -5.528
  323    HA   ARG  43           HA       ARG  43 -38.476 -10.742  -6.866
  324   1HB   ARG  43          2HB       ARG  43 -40.542 -11.396  -4.765
  325   2HB   ARG  43          1HB       ARG  43 -40.912 -10.525  -6.248
  326   1HG   ARG  43          2HG       ARG  43 -39.497 -13.111  -6.530
  327   2HG   ARG  43          1HG       ARG  43 -41.183 -13.171  -6.013
  328   1HD   ARG  43          2HD       ARG  43 -40.212 -11.674  -8.444
  329   2HD   ARG  43          1HD       ARG  43 -40.840 -13.321  -8.487
  330    HE   ARG  43           HE       ARG  43 -42.836 -12.000  -7.284
  331   1HH1  ARG  43          1HH2      ARG  43 -41.006 -11.321 -10.170
  332   2HH1  ARG  43          2HH2      ARG  43 -42.306 -10.484 -10.952
  333   1HH2  ARG  43          2HH1      ARG  43 -44.553 -10.903  -8.305
  334   2HH2  ARG  43          1HH1      ARG  43 -44.323 -10.248  -9.891
  335    H    ASN  44           H        ASN  44 -36.803  -9.432  -5.032
  336    HA   ASN  44           HA       ASN  44 -38.194  -6.873  -4.846
  337   1HB   ASN  44          2HB       ASN  44 -37.216  -8.458  -2.541
  338   2HB   ASN  44          1HB       ASN  44 -36.801  -6.746  -2.518
  339   1HD2  ASN  44          2HD2      ASN  44 -40.743  -7.846  -2.370
  340   2HD2  ASN  44          1HD2      ASN  44 -39.588  -8.843  -3.181
  341    H    LEU  45           H        LEU  45 -36.696  -5.050  -4.570
  342    HA   LEU  45           HA       LEU  45 -34.275  -5.518  -6.090
  343   1HB   LEU  45          2HB       LEU  45 -35.834  -3.123  -5.234
  344   2HB   LEU  45          1HB       LEU  45 -34.145  -2.905  -5.656
  345    HG   LEU  45           HG       LEU  45 -36.016  -4.296  -7.548
  346   1HD1  LEU  45          3HD1      LEU  45 -35.777  -1.363  -6.993
  347   2HD1  LEU  45          2HD1      LEU  45 -36.122  -1.937  -8.625
  348   3HD1  LEU  45          1HD1      LEU  45 -37.218  -2.332  -7.301
  349   1HD2  LEU  45          3HD2      LEU  45 -33.486  -2.690  -7.904
  350   2HD2  LEU  45          2HD2      LEU  45 -33.642  -4.443  -8.019
  351   3HD2  LEU  45          1HD2      LEU  45 -34.434  -3.408  -9.207
  352    H    GLN  46           H        GLN  46 -32.825  -6.545  -4.762
  353    HA   GLN  46           HA       GLN  46 -32.210  -5.395  -2.157
  354   1HB   GLN  46          2HB       GLN  46 -31.818  -7.986  -3.467
  355   2HB   GLN  46          1HB       GLN  46 -30.400  -7.455  -2.572
  356   1HG   GLN  46          2HG       GLN  46 -31.913  -7.078  -0.604
  357   2HG   GLN  46          1HG       GLN  46 -33.181  -7.889  -1.521
  358   1HE2  GLN  46          2HE2      GLN  46 -31.362 -10.277   0.716
  359   2HE2  GLN  46          1HE2      GLN  46 -32.109  -8.739   0.965
  360    H    CYS  47           H        CYS  47 -30.332  -4.376  -1.637
  361    HA   CYS  47           HA       CYS  47 -28.817  -3.284  -3.842
  362   1HB   CYS  47          2HB       CYS  47 -29.169  -2.676  -0.963
  363   2HB   CYS  47          1HB       CYS  47 -27.613  -2.238  -1.661
  364    H    ILE  48           H        ILE  48 -27.566  -4.911  -4.667
  365    HA   ILE  48           HA       ILE  48 -25.892  -6.523  -2.955
  366    HB   ILE  48           HB       ILE  48 -25.861  -6.370  -5.959
  367   1HG1  ILE  48          2HG1      ILE  48 -27.493  -8.115  -4.108
  368   2HG1  ILE  48          1HG1      ILE  48 -28.107  -6.916  -5.243
  369   1HG2  ILE  48          1HG2      ILE  48 -23.895  -7.421  -4.971
  370   2HG2  ILE  48          3HG2      ILE  48 -24.932  -8.513  -4.054
  371   3HG2  ILE  48          2HG2      ILE  48 -24.890  -8.606  -5.815
  372   1HD1  ILE  48          1HD1      ILE  48 -26.989  -8.341  -7.050
  373   2HD1  ILE  48          3HD1      ILE  48 -26.909  -9.594  -5.812
  374   3HD1  ILE  48          2HD1      ILE  48 -28.471  -8.942  -6.309
  375    H    CYS  49           H        CYS  49 -24.006  -5.880  -2.195
  376    HA   CYS  49           HA       CYS  49 -22.527  -3.749  -3.567
  377   1HB   CYS  49          2HB       CYS  49 -21.983  -4.981  -0.859
  378   2HB   CYS  49          1HB       CYS  49 -21.259  -3.521  -1.514
  379    H    ASP  50           H        ASP  50 -21.049  -4.434  -5.018
  380    HA   ASP  50           HA       ASP  50 -19.771  -7.043  -4.626
  381   1HB   ASP  50          2HB       ASP  50 -20.461  -6.963  -6.830
  382   2HB   ASP  50          1HB       ASP  50 -20.144  -5.240  -6.986
  383    H    TYR  51           H        TYR  51 -17.739  -7.307  -4.084
  384    HA   TYR  51           HA       TYR  51 -16.129  -4.936  -3.492
  385   1HB   TYR  51          2HB       TYR  51 -16.044  -7.805  -2.596
  386   2HB   TYR  51          1HB       TYR  51 -14.726  -6.688  -2.256
  387    HD1  TYR  51           HD1      TYR  51 -18.358  -7.256  -1.716
  388    HD2  TYR  51           HD2      TYR  51 -14.858  -5.211  -0.427
  389    HE1  TYR  51           HE1      TYR  51 -19.555  -6.483   0.289
  390    HE2  TYR  51           HE2      TYR  51 -16.044  -4.430   1.579
  391    HH   TYR  51           HH       TYR  51 -18.268  -4.074   2.380
  392    H    CYS  52           H        CYS  52 -15.982  -8.042  -5.166
  393    HA   CYS  52           HA       CYS  52 -13.499  -7.196  -6.504
  394   1HB   CYS  52          2HB       CYS  52 -14.618  -9.994  -6.360
  395   2HB   CYS  52          1HB       CYS  52 -13.017  -9.510  -6.888
  396    H    GLU  53           H        GLU  53 -14.958  -9.825  -7.991
  397    HA   GLU  53           HA       GLU  53 -15.631 -10.051 -10.175
  398   1HB   GLU  53          2HB       GLU  53 -17.718  -9.877  -8.883
  399   2HB   GLU  53          1HB       GLU  53 -17.709  -8.134  -9.106
  400   1HG   GLU  53          2HG       GLU  53 -19.230  -9.485 -10.611
  401   2HG   GLU  53          1HG       GLU  53 -18.177  -8.304 -11.389
  402    H    TYR  54           HN       TYR  54 -16.860  -6.780  -9.863
  403    HA   TYR  54           HA       TYR  54 -14.938  -5.209 -10.966
  404   1HB   TYR  54          2HB       TYR  54 -15.829  -7.065 -12.968
  405   2HB   TYR  54          1HB       TYR  54 -16.386  -5.468 -13.426
  406    HD1  TYR  54           HD2      TYR  54 -13.212  -6.358 -11.647
  407    HD2  TYR  54           HD1      TYR  54 -15.028  -4.922 -15.223
  408    HE1  TYR  54           HE2      TYR  54 -11.010  -5.792 -12.529
  409    HE2  TYR  54           HE1      TYR  54 -12.811  -4.358 -16.118
  410    HH   TYR  54           HH       TYR  54  -9.863  -5.244 -14.429
   
  No H/Q in entry =         410
  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1 -11.524 -14.900  -2.437
    2    HA   PCA   1           HA       PCA   1 -11.785 -15.102  -4.949
    3   1HB   PCA   1          1HB       PCA   1 -10.884 -16.990  -5.814
    4   2HB   PCA   1          2HB       PCA   1 -12.219 -17.932  -5.111
    5   1HG   PCA   1          1HG       PCA   1  -9.485 -17.831  -4.231
    6   2HG   PCA   1          2HG       PCA   1 -10.835 -18.678  -3.455
    7    H    ASP   2           H        ASP   2 -13.284 -16.575  -2.211
    8    HA   ASP   2           HA       ASP   2 -15.880 -16.762  -3.535
    9   1HB   ASP   2          2HB       ASP   2 -16.445 -17.516  -1.028
   10   2HB   ASP   2          1HB       ASP   2 -15.742 -18.618  -2.207
   11    H    LYS   3           H        LYS   3 -14.305 -14.239  -2.595
   12    HA   LYS   3           HA       LYS   3 -16.573 -12.985  -1.177
   13   1HB   LYS   3          2HB       LYS   3 -13.761 -11.929  -1.067
   14   2HB   LYS   3          1HB       LYS   3 -15.101 -11.600   0.022
   15   1HG   LYS   3          2HG       LYS   3 -14.943 -14.107   0.612
   16   2HG   LYS   3          1HG       LYS   3 -13.343 -14.015  -0.128
   17   1HD   LYS   3          2HD       LYS   3 -14.277 -12.178   2.074
   18   2HD   LYS   3          1HD       LYS   3 -13.385 -13.674   2.359
   19   1HE   LYS   3          2HE       LYS   3 -11.523 -12.835   1.034
   20   2HE   LYS   3          1HE       LYS   3 -12.419 -11.357   0.688
   21   1HZ   LYS   3          2HZ       LYS   3 -12.431 -10.892   3.086
   22   2HZ   LYS   3          1HZ       LYS   3 -11.474 -12.260   3.353
   23   3HZ   LYS   3          3HZ       LYS   3 -10.866 -10.964   2.453
   24    H    CYS   4           H        CYS   4 -17.625 -11.498  -2.298
   25    HA   CYS   4           HA       CYS   4 -16.288  -9.592  -3.947
   26   1HB   CYS   4          2HB       CYS   4 -17.166 -12.040  -5.168
   27   2HB   CYS   4          1HB       CYS   4 -18.100 -10.701  -5.830
   28    H    LYS   5           H        LYS   5 -19.521 -10.857  -4.606
   29    HA   LYS   5           HA       LYS   5 -20.615  -8.269  -3.825
   30   1HB   LYS   5          2HB       LYS   5 -22.704  -9.147  -4.921
   31   2HB   LYS   5          1HB       LYS   5 -21.317  -8.942  -5.978
   32   1HG   LYS   5          2HG       LYS   5 -21.579 -11.053  -6.652
   33   2HG   LYS   5          1HG       LYS   5 -21.150 -11.580  -5.026
   34   1HD   LYS   5          2HD       LYS   5 -23.472 -11.530  -4.356
   35   2HD   LYS   5          1HD       LYS   5 -23.942 -10.873  -5.926
   36   1HE   LYS   5          2HE       LYS   5 -23.977 -13.526  -5.283
   37   2HE   LYS   5          1HE       LYS   5 -23.867 -12.893  -6.926
   38   1HZ   LYS   5          3HZ       LYS   5 -21.437 -13.010  -6.735
   39   2HZ   LYS   5          2HZ       LYS   5 -21.590 -13.708  -5.202
   40   3HZ   LYS   5          1HZ       LYS   5 -22.164 -14.528  -6.565
   41    H    LYS   6           H        LYS   6 -21.964  -7.922  -2.167
   42    HA   LYS   6           HA       LYS   6 -23.163 -10.183  -0.774
   43   1HB   LYS   6          2HB       LYS   6 -22.298  -9.346   1.424
   44   2HB   LYS   6          1HB       LYS   6 -21.076 -10.045   0.373
   45   1HG   LYS   6          2HG       LYS   6 -20.184  -7.937  -0.167
   46   2HG   LYS   6          1HG       LYS   6 -21.578  -7.091   0.508
   47   1HD   LYS   6          2HD       LYS   6 -19.882  -6.835   2.112
   48   2HD   LYS   6          1HD       LYS   6 -20.918  -8.113   2.745
   49   1HE   LYS   6          2HE       LYS   6 -19.060  -9.506   1.246
   50   2HE   LYS   6          1HE       LYS   6 -18.105  -8.206   1.954
   51   1HZ   LYS   6          2HZ       LYS   6 -19.020  -8.853   4.139
   52   2HZ   LYS   6          1HZ       LYS   6 -19.786 -10.173   3.411
   53   3HZ   LYS   6          3HZ       LYS   6 -18.096 -10.074   3.421
   54    H    VAL   7           H        VAL   7 -25.140  -9.715  -0.060
   55    HA   VAL   7           HA       VAL   7 -26.336  -7.234  -0.630
   56    HB   VAL   7           HB       VAL   7 -28.333  -8.146   0.026
   57   1HG1  VAL   7          3HG1      VAL   7 -26.953  -9.677  -1.526
   58   2HG1  VAL   7          2HG1      VAL   7 -26.874 -10.752  -0.130
   59   3HG1  VAL   7          1HG1      VAL   7 -28.438 -10.304  -0.810
   60   1HG2  VAL   7          2HG2      VAL   7 -26.818  -9.624   2.165
   61   2HG2  VAL   7          1HG2      VAL   7 -28.033  -8.359   2.360
   62   3HG2  VAL   7          3HG2      VAL   7 -28.508  -9.956   1.782
   63    H    TYR   8           H        TYR   8 -26.490  -5.412   0.487
   64    HA   TYR   8           HA       TYR   8 -25.166  -5.127   3.009
   65   1HB   TYR   8          2HB       TYR   8 -25.041  -3.302   1.461
   66   2HB   TYR   8          1HB       TYR   8 -26.793  -3.233   1.308
   67    HD1  TYR   8           HD2      TYR   8 -28.159  -2.344   3.179
   68    HD2  TYR   8           HD1      TYR   8 -23.913  -2.198   3.235
   69    HE1  TYR   8           HE2      TYR   8 -28.240  -0.633   4.955
   70    HE2  TYR   8           HE1      TYR   8 -23.978  -0.499   5.010
   71    HH   TYR   8           HH       TYR   8 -25.310   0.517   6.534
   72    H    GLU   9           H        GLU   9 -28.001  -6.470   2.310
   73    HA   GLU   9           HA       GLU   9 -30.100  -6.582   3.276
   74   1HB   GLU   9          2HB       GLU   9 -29.876  -7.391   5.640
   75   2HB   GLU   9          1HB       GLU   9 -28.848  -8.224   4.488
   76   1HG   GLU   9          2HG       GLU   9 -26.936  -6.913   5.207
   77   2HG   GLU   9          1HG       GLU   9 -27.957  -6.017   6.330
   78    H    ASN  10           H        ASN  10 -30.684  -5.967   6.080
   79    HA   ASN  10           HA       ASN  10 -32.108  -4.140   6.682
   80   1HB   ASN  10          2HB       ASN  10 -29.924  -4.691   8.105
   81   2HB   ASN  10          1HB       ASN  10 -29.504  -3.046   7.641
   82   1HD2  ASN  10          2HD2      ASN  10 -32.235  -1.587   9.433
   83   2HD2  ASN  10          1HD2      ASN  10 -31.383  -1.465   7.936
   84    H    TYR  11           H        TYR  11 -32.960  -2.740   5.274
   85    HA   TYR  11           HA       TYR  11 -31.822  -0.199   4.867
   86   1HB   TYR  11          2HB       TYR  11 -30.429  -1.671   3.297
   87   2HB   TYR  11          1HB       TYR  11 -31.892  -1.856   2.344
   88    HD1  TYR  11           HD2      TYR  11 -33.064   0.474   1.734
   89    HD2  TYR  11           HD1      TYR  11 -28.947  -0.026   2.676
   90    HE1  TYR  11           HE2      TYR  11 -32.542   2.547   0.521
   91    HE2  TYR  11           HE1      TYR  11 -28.410   2.046   1.465
   92    HH   TYR  11           HH       TYR  11 -29.808   3.367  -0.631
   93    HA   PRO  12           HA       PRO  12 -36.236   0.214   4.138
   94   1HB   PRO  12          2HB       PRO  12 -36.343   2.862   3.590
   95   2HB   PRO  12          1HB       PRO  12 -36.074   2.242   5.222
   96   1HG   PRO  12          2HG       PRO  12 -34.072   3.251   3.234
   97   2HG   PRO  12          1HG       PRO  12 -34.201   3.606   4.967
   98   1HD   PRO  12          2HD       PRO  12 -32.452   1.794   3.989
   99   2HD   PRO  12          1HD       PRO  12 -33.219   1.609   5.579
  100    H    VAL  13           H        VAL  13 -34.843  -0.923   2.045
  101    HA   VAL  13           HA       VAL  13 -34.448  -0.717  -0.305
  102    HB   VAL  13           HB       VAL  13 -37.412  -1.118  -0.195
  103   1HG1  VAL  13          2HG1      VAL  13 -36.137  -1.191  -2.347
  104   2HG1  VAL  13          1HG1      VAL  13 -35.282  -2.599  -1.718
  105   3HG1  VAL  13          3HG1      VAL  13 -37.026  -2.665  -1.964
  106   1HG2  VAL  13          3HG2      VAL  13 -35.293  -3.034   0.775
  107   2HG2  VAL  13          2HG2      VAL  13 -36.594  -2.317   1.727
  108   3HG2  VAL  13          1HG2      VAL  13 -36.969  -3.476   0.451
  109    H    SER  14           H        SER  14 -34.349   1.876   0.161
  110    HA   SER  14           HA       SER  14 -36.459   3.452  -0.840
  111   1HB   SER  14          2HB       SER  14 -34.880   5.268  -0.892
  112   2HB   SER  14          1HB       SER  14 -34.513   4.288   0.528
  113    HG   SER  14           HG       SER  14 -32.923   4.910  -1.518
  114    H    LYS  15           H        LYS  15 -34.029   4.633  -2.614
  115    HA   LYS  15           HA       LYS  15 -35.214   3.984  -5.107
  116   1HB   LYS  15          2HB       LYS  15 -32.447   5.108  -4.699
  117   2HB   LYS  15          1HB       LYS  15 -33.499   5.317  -6.093
  118   1HG   LYS  15          2HG       LYS  15 -35.083   6.555  -4.607
  119   2HG   LYS  15          1HG       LYS  15 -33.851   6.485  -3.345
  120   1HD   LYS  15          2HD       LYS  15 -32.281   7.589  -4.981
  121   2HD   LYS  15          1HD       LYS  15 -33.681   7.852  -6.023
  122   1HE   LYS  15          2HE       LYS  15 -33.063   9.030  -3.343
  123   2HE   LYS  15          1HE       LYS  15 -33.517   9.845  -4.839
  124   1HZ   LYS  15          3HZ       LYS  15 -35.746   8.852  -4.600
  125   2HZ   LYS  15          2HZ       LYS  15 -35.290   8.218  -3.101
  126   3HZ   LYS  15          1HZ       LYS  15 -35.354   9.894  -3.326
  127    H    CYS  16           H        CYS  16 -34.070   2.984  -6.935
  128    HA   CYS  16           HA       CYS  16 -31.830   1.333  -6.562
  129   1HB   CYS  16          2HB       CYS  16 -34.465   0.179  -5.902
  130   2HB   CYS  16          1HB       CYS  16 -33.456  -0.813  -6.945
  131    H    GLN  17           H        GLN  17 -31.197   2.116  -8.457
  132    HA   GLN  17           HA       GLN  17 -31.373   0.834 -10.778
  133   1HB   GLN  17          2HB       GLN  17 -33.845   2.425 -10.390
  134   2HB   GLN  17          1HB       GLN  17 -33.081   2.611 -11.959
  135   1HG   GLN  17          2HG       GLN  17 -33.406  -0.165 -11.008
  136   2HG   GLN  17          1HG       GLN  17 -34.888   0.703 -11.403
  137   1HE2  GLN  17          2HE2      GLN  17 -32.272   0.677 -14.518
  138   2HE2  GLN  17          1HE2      GLN  17 -31.834   1.324 -12.978
  139    H    LEU  18           H        LEU  18 -31.867   4.122  -9.599
  140    HA   LEU  18           HA       LEU  18 -30.133   5.307 -11.557
  141   1HB   LEU  18          2HB       LEU  18 -30.997   6.587  -8.977
  142   2HB   LEU  18          1HB       LEU  18 -30.573   7.369 -10.489
  143    HG   LEU  18           HG       LEU  18 -33.084   5.829  -9.861
  144   1HD1  LEU  18          3HD1      LEU  18 -32.546   8.677 -10.680
  145   2HD1  LEU  18          2HD1      LEU  18 -34.150   7.956 -10.545
  146   3HD1  LEU  18          1HD1      LEU  18 -33.130   8.113  -9.114
  147   1HD2  LEU  18          2HD2      LEU  18 -31.897   6.614 -12.491
  148   2HD2  LEU  18          1HD2      LEU  18 -32.679   5.105 -12.021
  149   3HD2  LEU  18          3HD2      LEU  18 -33.647   6.556 -12.282
  150    H    ALA  19           H        ALA  19 -27.980   5.463 -11.481
  151    HA   ALA  19           HA       ALA  19 -26.394   4.218  -9.585
  152   1HB   ALA  19          3HB       ALA  19 -25.639   4.903 -11.840
  153   2HB   ALA  19          2HB       ALA  19 -25.585   6.575 -11.284
  154   3HB   ALA  19          1HB       ALA  19 -24.514   5.372 -10.565
  155    H    ASN  20           H        ASN  20 -26.973   4.736  -7.486
  156    HA   ASN  20           HA       ASN  20 -25.656   6.936  -6.309
  157   1HB   ASN  20          2HB       ASN  20 -27.517   8.206  -7.284
  158   2HB   ASN  20          1HB       ASN  20 -28.670   7.158  -6.465
  159   1HD2  ASN  20          2HD2      ASN  20 -26.481   9.810  -4.238
  160   2HD2  ASN  20          1HD2      ASN  20 -25.820   9.125  -5.679
  161    H    GLN  21           H        GLN  21 -28.415   6.760  -4.583
  162    HA   GLN  21           HA       GLN  21 -28.039   5.967  -2.259
  163   1HB   GLN  21          2HB       GLN  21 -30.002   4.675  -4.095
  164   2HB   GLN  21          1HB       GLN  21 -29.847   4.034  -2.465
  165   1HG   GLN  21          2HG       GLN  21 -30.457   6.897  -3.160
  166   2HG   GLN  21          1HG       GLN  21 -31.635   5.690  -2.646
  167   1HE2  GLN  21          2HE2      GLN  21 -29.241   7.568   0.034
  168   2HE2  GLN  21          1HE2      GLN  21 -29.026   7.755  -1.670
  169    H    CYS  22           H        CYS  22 -28.495   3.022  -4.148
  170    HA   CYS  22           HA       CYS  22 -27.075   1.373  -2.411
  171   1HB   CYS  22          2HB       CYS  22 -28.688   0.927  -4.510
  172   2HB   CYS  22          1HB       CYS  22 -27.138   0.621  -5.284
  173    H    ASN  23           H        ASN  23 -26.036   2.620  -5.579
  174    HA   ASN  23           HA       ASN  23 -23.472   1.595  -5.607
  175   1HB   ASN  23          2HB       ASN  23 -24.800   2.930  -7.408
  176   2HB   ASN  23          1HB       ASN  23 -24.039   4.344  -6.684
  177   1HD2  ASN  23          2HD2      ASN  23 -21.504   1.558  -8.283
  178   2HD2  ASN  23          1HD2      ASN  23 -22.847   1.070  -7.312
  179    H    TYR  24           H        TYR  24 -24.317   4.945  -4.675
  180    HA   TYR  24           HA       TYR  24 -21.837   5.714  -3.744
  181   1HB   TYR  24          2HB       TYR  24 -23.179   7.547  -3.762
  182   2HB   TYR  24          1HB       TYR  24 -24.615   6.619  -3.352
  183    HD1  TYR  24           HD2      TYR  24 -21.398   7.488  -1.637
  184    HD2  TYR  24           HD1      TYR  24 -25.643   7.319  -1.424
  185    HE1  TYR  24           HE2      TYR  24 -21.314   8.379   0.651
  186    HE2  TYR  24           HE1      TYR  24 -25.570   8.208   0.863
  187    HH   TYR  24           HH       TYR  24 -23.633   8.156   2.801
  188    H    ASP  25           H        ASP  25 -24.516   4.487  -1.712
  189    HA   ASP  25           HA       ASP  25 -23.203   4.412   0.701
  190   1HB   ASP  25          2HB       ASP  25 -25.270   2.496  -0.391
  191   2HB   ASP  25          1HB       ASP  25 -24.759   2.528   1.294
  192    H    CYS  26           H        CYS  26 -23.370   1.715  -1.655
  193    HA   CYS  26           HA       CYS  26 -21.705  -0.018  -0.227
  194   1HB   CYS  26          2HB       CYS  26 -22.164   0.223  -3.207
  195   2HB   CYS  26          1HB       CYS  26 -21.253  -1.087  -2.462
  196    H    LYS  27           H        LYS  27 -20.914   2.383  -2.729
  197    HA   LYS  27           HA       LYS  27 -18.137   1.924  -2.739
  198   1HB   LYS  27          2HB       LYS  27 -19.944   3.729  -3.998
  199   2HB   LYS  27          1HB       LYS  27 -18.663   4.696  -3.282
  200   1HG   LYS  27          2HG       LYS  27 -16.991   3.572  -4.521
  201   2HG   LYS  27          1HG       LYS  27 -18.117   2.314  -5.031
  202   1HD   LYS  27          2HD       LYS  27 -18.655   5.164  -5.748
  203   2HD   LYS  27          1HD       LYS  27 -17.471   4.237  -6.669
  204   1HE   LYS  27          2HE       LYS  27 -20.161   3.058  -6.164
  205   2HE   LYS  27          1HE       LYS  27 -19.986   4.306  -7.397
  206   1HZ   LYS  27          1HZ       LYS  27 -18.069   2.837  -8.230
  207   2HZ   LYS  27          3HZ       LYS  27 -18.792   1.613  -7.313
  208   3HZ   LYS  27          2HZ       LYS  27 -19.656   2.356  -8.563
  209    H    LEU  28           H        LEU  28 -19.769   2.488  -0.140
  210    HA   LEU  28           HA       LEU  28 -17.584   3.612   1.321
  211   1HB   LEU  28          2HB       LEU  28 -18.994   5.589   0.391
  212   2HB   LEU  28          1HB       LEU  28 -20.180   5.096   1.586
  213    HG   LEU  28           HG       LEU  28 -18.243   5.291   3.286
  214   1HD1  LEU  28          3HD1      LEU  28 -17.132   6.801   0.934
  215   2HD1  LEU  28          2HD1      LEU  28 -16.617   7.086   2.596
  216   3HD1  LEU  28          1HD1      LEU  28 -16.371   5.504   1.857
  217   1HD2  LEU  28          1HD2      LEU  28 -19.605   7.616   1.958
  218   2HD2  LEU  28          3HD2      LEU  28 -20.057   6.782   3.445
  219   3HD2  LEU  28          2HD2      LEU  28 -18.614   7.795   3.406
  220    H    ASP  29           H        ASP  29 -19.839   4.412   3.354
  221    HA   ASP  29           HA       ASP  29 -20.693   3.382   5.216
  222   1HB   ASP  29          2HB       ASP  29 -21.541   1.534   2.987
  223   2HB   ASP  29          1HB       ASP  29 -21.973   1.198   4.660
  224    H    LYS  30           H        LYS  30 -19.847   0.446   3.424
  225    HA   LYS  30           HA       LYS  30 -18.036  -0.325   5.608
  226   1HB   LYS  30          2HB       LYS  30 -18.794  -2.242   3.445
  227   2HB   LYS  30          1HB       LYS  30 -18.507  -2.541   5.155
  228   1HG   LYS  30          2HG       LYS  30 -20.665  -1.601   5.717
  229   2HG   LYS  30          1HG       LYS  30 -20.944  -1.177   4.028
  230   1HD   LYS  30          2HD       LYS  30 -21.984  -3.169   3.869
  231   2HD   LYS  30          1HD       LYS  30 -20.373  -3.876   3.886
  232   1HE   LYS  30          2HE       LYS  30 -22.239  -3.487   6.218
  233   2HE   LYS  30          1HE       LYS  30 -21.699  -5.011   5.515
  234   1HZ   LYS  30          2HZ       LYS  30 -19.366  -3.900   6.152
  235   2HZ   LYS  30          1HZ       LYS  30 -20.340  -3.244   7.371
  236   3HZ   LYS  30          3HZ       LYS  30 -20.226  -4.922   7.190
  237    H    HIS  31           H        HIS  31 -18.024   1.097   2.659
  238    HA   HIS  31           HA       HIS  31 -16.379   1.711   1.237
  239   1HB   HIS  31          2HB       HIS  31 -14.365   0.177   2.840
  240   2HB   HIS  31          1HB       HIS  31 -14.164   1.693   1.959
  241    HD1  HIS  31           HD1      HIS  31 -15.030   3.861   3.115
  242    HD2  HIS  31           HD2      HIS  31 -15.418   0.430   5.409
  243    HE1  HIS  31           HE1      HIS  31 -15.619   4.653   5.427
  244    HE2  HIS  31           HE2      HIS  31 -15.764   2.565   6.817
  245    H    ALA  32           H        ALA  32 -17.710   0.071  -0.002
  246    HA   ALA  32           HA       ALA  32 -16.248  -2.347  -0.713
  247   1HB   ALA  32          2HB       ALA  32 -18.813  -2.158  -0.416
  248   2HB   ALA  32          1HB       ALA  32 -18.790  -1.442  -2.028
  249   3HB   ALA  32          3HB       ALA  32 -18.186  -3.081  -1.780
  250    H    ARG  33           H        ARG  33 -16.991  -2.520  -3.408
  251    HA   ARG  33           HA       ARG  33 -15.136  -0.585  -4.598
  252   1HB   ARG  33          2HB       ARG  33 -15.165  -3.232  -4.794
  253   2HB   ARG  33          1HB       ARG  33 -16.267  -2.899  -6.116
  254   1HG   ARG  33          2HG       ARG  33 -13.963  -1.221  -6.395
  255   2HG   ARG  33          1HG       ARG  33 -13.422  -2.878  -6.113
  256   1HD   ARG  33          2HD       ARG  33 -13.784  -2.184  -8.527
  257   2HD   ARG  33          1HD       ARG  33 -14.553  -3.682  -8.004
  258    HE   ARG  33           HE       ARG  33 -16.564  -2.035  -7.661
  259   1HH1  ARG  33          1HH2      ARG  33 -14.251  -2.097 -10.265
  260   2HH1  ARG  33          2HH2      ARG  33 -15.360  -1.467 -11.438
  261   1HH2  ARG  33          2HH1      ARG  33 -18.033  -1.209  -9.198
  262   2HH2  ARG  33          1HH1      ARG  33 -17.510  -0.961 -10.830
  263    H    SER  34           H        SER  34 -18.407  -1.778  -4.725
  264    HA   SER  34           HA       SER  34 -19.498   0.593  -5.735
  265   1HB   SER  34          2HB       SER  34 -20.155  -0.051  -7.983
  266   2HB   SER  34          1HB       SER  34 -18.402  -0.149  -7.843
  267    HG   SER  34           HG       SER  34 -20.078  -2.393  -7.445
  268    H    GLY  35           H        GLY  35 -21.822  -0.261  -6.922
  269   1HA   GLY  35          2HA       GLY  35 -22.883  -2.467  -5.347
  270   2HA   GLY  35          1HA       GLY  35 -23.525  -0.880  -4.958
  271    H    GLU  36           H        GLU  36 -25.317  -2.636  -5.657
  272    HA   GLU  36           HA       GLU  36 -26.616  -1.525  -7.874
  273   1HB   GLU  36          2HB       GLU  36 -24.682  -3.360  -8.664
  274   2HB   GLU  36          1HB       GLU  36 -26.167  -4.297  -8.700
  275   1HG   GLU  36          2HG       GLU  36 -27.122  -2.312 -10.039
  276   2HG   GLU  36          1HG       GLU  36 -25.432  -1.863 -10.273
  277    H    CYS  37           H        CYS  37 -28.778  -2.166  -7.936
  278    HA   CYS  37           HA       CYS  37 -29.615  -3.758  -5.657
  279   1HB   CYS  37          2HB       CYS  37 -31.172  -2.063  -7.605
  280   2HB   CYS  37          1HB       CYS  37 -31.900  -2.955  -6.274
  281    H    PHE  38           H        PHE  38 -31.265  -5.393  -5.810
  282    HA   PHE  38           HA       PHE  38 -31.657  -6.652  -8.413
  283   1HB   PHE  38          2HB       PHE  38 -30.113  -7.863  -6.146
  284   2HB   PHE  38          1HB       PHE  38 -31.056  -8.902  -7.209
  285    HD1  PHE  38           HD1      PHE  38 -30.462  -9.134  -9.563
  286    HD2  PHE  38           HD2      PHE  38 -28.117  -6.785  -6.902
  287    HE1  PHE  38           HE1      PHE  38 -28.616  -9.143 -11.189
  288    HE2  PHE  38           HE2      PHE  38 -26.266  -6.789  -8.523
  289    HZ   PHE  38           HZ       PHE  38 -26.513  -7.969 -10.670
  290    H    TYR  39           H        TYR  39 -33.534  -7.845  -8.556
  291    HA   TYR  39           HA       TYR  39 -35.423  -7.463  -6.393
  292   1HB   TYR  39          2HB       TYR  39 -35.631  -8.290  -9.254
  293   2HB   TYR  39          1HB       TYR  39 -36.954  -8.666  -8.154
  294    HD1  TYR  39           HD2      TYR  39 -38.135  -6.788  -6.969
  295    HD2  TYR  39           HD1      TYR  39 -35.316  -6.098 -10.086
  296    HE1  TYR  39           HE2      TYR  39 -39.024  -4.513  -7.265
  297    HE2  TYR  39           HE1      TYR  39 -36.199  -3.821 -10.386
  298    HH   TYR  39           HH       TYR  39 -38.587  -2.687  -9.864
  299    H    ASP  40           H        ASP  40 -37.034  -9.332  -6.060
  300    HA   ASP  40           HA       ASP  40 -35.517 -11.828  -5.629
  301   1HB   ASP  40          2HB       ASP  40 -36.658 -12.159  -3.567
  302   2HB   ASP  40          1HB       ASP  40 -36.114 -10.485  -3.559
  303    H    GLU  41           H        GLU  41 -37.244 -13.662  -5.094
  304    HA   GLU  41           HA       GLU  41 -38.593 -14.136  -7.520
  305   1HB   GLU  41          2HB       GLU  41 -39.660 -16.046  -6.005
  306   2HB   GLU  41          1HB       GLU  41 -37.998 -16.125  -6.570
  307   1HG   GLU  41          2HG       GLU  41 -37.125 -15.601  -4.497
  308   2HG   GLU  41          1HG       GLU  41 -38.626 -14.860  -3.941
  309    H    LYS  42           H        LYS  42 -39.484 -11.744  -6.012
  310    HA   LYS  42           HA       LYS  42 -42.342 -12.229  -6.295
  311   1HB   LYS  42          2HB       LYS  42 -42.162 -12.559  -3.962
  312   2HB   LYS  42          1HB       LYS  42 -40.989 -11.265  -3.784
  313   1HG   LYS  42          2HG       LYS  42 -43.092 -10.589  -2.847
  314   2HG   LYS  42          1HG       LYS  42 -42.759  -9.622  -4.279
  315   1HD   LYS  42          2HD       LYS  42 -45.061 -10.236  -4.344
  316   2HD   LYS  42          1HD       LYS  42 -44.231 -11.193  -5.570
  317   1HE   LYS  42          2HE       LYS  42 -44.382 -13.149  -4.321
  318   2HE   LYS  42          1HE       LYS  42 -44.633 -12.278  -2.809
  319   1HZ   LYS  42          1HZ       LYS  42 -46.740 -11.573  -4.441
  320   2HZ   LYS  42          3HZ       LYS  42 -46.559 -13.242  -4.652
  321   3HZ   LYS  42          2HZ       LYS  42 -46.791 -12.605  -3.103
  322    H    ARG  43           H        ARG  43 -40.518  -9.590  -4.857
  323    HA   ARG  43           HA       ARG  43 -40.306  -7.924  -7.090
  324   1HB   ARG  43          2HB       ARG  43 -42.790  -7.954  -6.975
  325   2HB   ARG  43          1HB       ARG  43 -42.696  -7.256  -5.369
  326   1HG   ARG  43          2HG       ARG  43 -41.174  -5.714  -7.305
  327   2HG   ARG  43          1HG       ARG  43 -42.863  -5.875  -7.779
  328   1HD   ARG  43          2HD       ARG  43 -42.085  -3.904  -6.248
  329   2HD   ARG  43          1HD       ARG  43 -43.626  -4.709  -5.963
  330    HE   ARG  43           HE       ARG  43 -41.270  -5.603  -4.476
  331   1HH1  ARG  43          1HH2      ARG  43 -44.356  -3.987  -4.529
  332   2HH1  ARG  43          2HH2      ARG  43 -44.549  -4.026  -2.808
  333   1HH2  ARG  43          2HH1      ARG  43 -41.517  -5.663  -2.215
  334   2HH2  ARG  43          1HH1      ARG  43 -42.935  -4.981  -1.491
  335    H    ASN  44           H        ASN  44 -39.373  -8.730  -4.184
  336    HA   ASN  44           HA       ASN  44 -38.991  -6.075  -3.064
  337   1HB   ASN  44          2HB       ASN  44 -37.836  -8.605  -1.920
  338   2HB   ASN  44          1HB       ASN  44 -38.291  -7.124  -1.082
  339   1HD2  ASN  44          2HD2      ASN  44 -41.272  -8.557  -0.116
  340   2HD2  ASN  44          1HD2      ASN  44 -39.853  -7.653   0.278
  341    H    LEU  45           H        LEU  45 -37.153  -4.944  -3.130
  342    HA   LEU  45           HA       LEU  45 -35.011  -5.973  -4.795
  343   1HB   LEU  45          2HB       LEU  45 -35.826  -3.277  -3.838
  344   2HB   LEU  45          1HB       LEU  45 -34.176  -3.522  -4.379
  345    HG   LEU  45           HG       LEU  45 -36.407  -4.407  -6.153
  346   1HD1  LEU  45          1HD1      LEU  45 -35.790  -1.603  -5.427
  347   2HD1  LEU  45          3HD1      LEU  45 -36.030  -1.956  -7.139
  348   3HD1  LEU  45          2HD1      LEU  45 -37.299  -2.332  -5.974
  349   1HD2  LEU  45          1HD2      LEU  45 -33.744  -4.574  -6.414
  350   2HD2  LEU  45          3HD2      LEU  45 -34.835  -4.384  -7.784
  351   3HD2  LEU  45          2HD2      LEU  45 -34.004  -2.984  -7.126
  352    H    GLN  46           H        GLN  46 -32.778  -5.626  -4.241
  353    HA   GLN  46           HA       GLN  46 -32.166  -5.523  -1.382
  354   1HB   GLN  46          2HB       GLN  46 -31.421  -7.790  -3.236
  355   2HB   GLN  46          1HB       GLN  46 -30.605  -7.499  -1.705
  356   1HG   GLN  46          2HG       GLN  46 -32.607  -7.903  -0.479
  357   2HG   GLN  46          1HG       GLN  46 -33.564  -7.963  -1.959
  358   1HE2  GLN  46          2HE2      GLN  46 -32.746 -11.393  -0.669
  359   2HE2  GLN  46          1HE2      GLN  46 -33.378  -9.969   0.078
  360    H    CYS  47           H        CYS  47 -30.282  -4.497  -0.953
  361    HA   CYS  47           HA       CYS  47 -28.921  -3.260  -3.185
  362   1HB   CYS  47          2HB       CYS  47 -29.442  -2.586  -0.466
  363   2HB   CYS  47          1HB       CYS  47 -27.697  -2.573  -0.687
  364    H    ILE  48           H        ILE  48 -27.546  -4.637  -4.195
  365    HA   ILE  48           HA       ILE  48 -25.782  -6.340  -2.635
  366    HB   ILE  48           HB       ILE  48 -26.351  -6.120  -5.576
  367   1HG1  ILE  48          2HG1      ILE  48 -27.117  -8.376  -5.350
  368   2HG1  ILE  48          1HG1      ILE  48 -26.418  -8.517  -3.741
  369   1HG2  ILE  48          2HG2      ILE  48 -24.012  -7.402  -4.233
  370   2HG2  ILE  48          1HG2      ILE  48 -24.689  -8.110  -5.700
  371   3HG2  ILE  48          3HG2      ILE  48 -24.071  -6.458  -5.722
  372   1HD1  ILE  48          3HD1      ILE  48 -28.634  -6.608  -4.409
  373   2HD1  ILE  48          2HD1      ILE  48 -28.902  -8.249  -3.826
  374   3HD1  ILE  48          1HD1      ILE  48 -28.053  -7.080  -2.813
  375    H    CYS  49           H        CYS  49 -23.905  -5.617  -1.920
  376    HA   CYS  49           HA       CYS  49 -22.583  -3.371  -3.268
  377   1HB   CYS  49          2HB       CYS  49 -22.126  -4.695  -0.588
  378   2HB   CYS  49          1HB       CYS  49 -21.080  -3.436  -1.236
  379    H    ASP  50           H        ASP  50 -21.069  -3.775  -4.710
  380    HA   ASP  50           HA       ASP  50 -19.829  -6.415  -4.812
  381   1HB   ASP  50          2HB       ASP  50 -20.782  -5.603  -6.884
  382   2HB   ASP  50          1HB       ASP  50 -19.827  -4.127  -6.783
  383    H    TYR  51           H        TYR  51 -17.946  -6.830  -4.094
  384    HA   TYR  51           HA       TYR  51 -16.124  -4.662  -3.383
  385   1HB   TYR  51          2HB       TYR  51 -16.279  -7.572  -2.618
  386   2HB   TYR  51          1HB       TYR  51 -14.904  -6.554  -2.195
  387    HD1  TYR  51           HD1      TYR  51 -18.644  -6.440  -1.982
  388    HD2  TYR  51           HD2      TYR  51 -14.927  -5.630  -0.077
  389    HE1  TYR  51           HE1      TYR  51 -19.847  -5.694   0.026
  390    HE2  TYR  51           HE2      TYR  51 -16.120  -4.873   1.937
  391    HH   TYR  51           HH       TYR  51 -18.438  -3.931   2.460
  392    H    CYS  52           H        CYS  52 -15.030  -7.897  -4.036
  393    HA   CYS  52           HA       CYS  52 -13.432  -8.678  -5.466
  394   1HB   CYS  52          2HB       CYS  52 -14.668  -6.890  -7.543
  395   2HB   CYS  52          1HB       CYS  52 -13.942  -8.478  -7.765
  396    H    GLU  53           H        GLU  53 -12.937  -6.092  -4.037
  397    HA   GLU  53           HA       GLU  53 -11.633  -4.161  -5.402
  398   1HB   GLU  53          2HB       GLU  53 -11.813  -4.116  -2.985
  399   2HB   GLU  53          1HB       GLU  53 -10.709  -5.478  -2.845
  400   1HG   GLU  53          2HG       GLU  53  -8.869  -4.188  -3.547
  401   2HG   GLU  53          1HG       GLU  53  -9.906  -2.876  -4.104
  402    H    TYR  54           HN       TYR  54 -10.477  -4.556  -7.192
  403    HA   TYR  54           HA       TYR  54  -8.396  -6.605  -7.169
  404   1HB   TYR  54          2HB       TYR  54  -9.284  -6.857  -9.239
  405   2HB   TYR  54          1HB       TYR  54 -10.017  -5.259  -9.214
  406    HD1  TYR  54           HD1      TYR  54  -6.867  -7.082  -9.904
  407    HD2  TYR  54           HD2      TYR  54  -9.036  -3.454 -10.383
  408    HE1  TYR  54           HE1      TYR  54  -5.181  -6.293 -11.512
  409    HE2  TYR  54           HE2      TYR  54  -7.358  -2.655 -11.994
  410    HH   TYR  54           HH       TYR  54  -5.089  -3.039 -12.630
   
  No H/Q in entry =         410
  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1 -10.319 -13.406  -5.270
    2    HA   PCA   1           HA       PCA   1  -8.665 -14.421  -3.618
    3   1HB   PCA   1          1HB       PCA   1  -8.109 -13.095  -1.873
    4   2HB   PCA   1          2HB       PCA   1  -9.773 -13.186  -1.250
    5   1HG   PCA   1          1HG       PCA   1  -8.500 -11.005  -2.672
    6   2HG   PCA   1          2HG       PCA   1 -10.152 -11.074  -2.033
    7    H    ASP   2           H        ASP   2 -11.929 -13.405  -2.591
    8    HA   ASP   2           HA       ASP   2 -12.984 -16.042  -2.849
    9   1HB   ASP   2          2HB       ASP   2 -13.609 -16.091  -0.313
   10   2HB   ASP   2          1HB       ASP   2 -12.026 -16.663  -0.829
   11    H    LYS   3           H        LYS   3 -14.474 -14.862  -4.102
   12    HA   LYS   3           HA       LYS   3 -16.472 -13.854  -4.491
   13   1HB   LYS   3          2HB       LYS   3 -16.694 -15.032  -1.900
   14   2HB   LYS   3          1HB       LYS   3 -17.549 -13.497  -1.866
   15   1HG   LYS   3          2HG       LYS   3 -18.989 -14.148  -3.620
   16   2HG   LYS   3          1HG       LYS   3 -17.995 -15.551  -4.013
   17   1HD   LYS   3          2HD       LYS   3 -18.534 -16.306  -1.592
   18   2HD   LYS   3          1HD       LYS   3 -19.844 -15.129  -1.692
   19   1HE   LYS   3          2HE       LYS   3 -20.815 -16.263  -3.550
   20   2HE   LYS   3          1HE       LYS   3 -19.410 -17.313  -3.720
   21   1HZ   LYS   3          1HZ       LYS   3 -20.305 -17.652  -1.132
   22   2HZ   LYS   3          3HZ       LYS   3 -21.700 -17.652  -2.090
   23   3HZ   LYS   3          2HZ       LYS   3 -20.452 -18.745  -2.414
   24    H    CYS   4           H        CYS   4 -17.742 -11.838  -4.081
   25    HA   CYS   4           HA       CYS   4 -16.509  -9.767  -2.539
   26   1HB   CYS   4          2HB       CYS   4 -15.523 -10.187  -5.158
   27   2HB   CYS   4          1HB       CYS   4 -16.492  -8.724  -5.227
   28    H    LYS   5           H        LYS   5 -19.157 -10.869  -2.664
   29    HA   LYS   5           HA       LYS   5 -20.600  -8.394  -3.160
   30   1HB   LYS   5          2HB       LYS   5 -22.354  -9.487  -4.501
   31   2HB   LYS   5          1HB       LYS   5 -20.793  -9.479  -5.307
   32   1HG   LYS   5          2HG       LYS   5 -21.238 -11.646  -5.705
   33   2HG   LYS   5          1HG       LYS   5 -20.697 -11.878  -4.041
   34   1HD   LYS   5          2HD       LYS   5 -23.139 -11.489  -3.382
   35   2HD   LYS   5          1HD       LYS   5 -23.508 -11.708  -5.094
   36   1HE   LYS   5          2HE       LYS   5 -22.009 -13.701  -3.401
   37   2HE   LYS   5          1HE       LYS   5 -23.738 -13.782  -3.743
   38   1HZ   LYS   5          3HZ       LYS   5 -22.250 -13.475  -6.138
   39   2HZ   LYS   5          2HZ       LYS   5 -21.695 -14.817  -5.271
   40   3HZ   LYS   5          1HZ       LYS   5 -23.326 -14.704  -5.699
   41    H    LYS   6           H        LYS   6 -22.005  -8.008  -1.571
   42    HA   LYS   6           HA       LYS   6 -23.464 -10.191  -0.347
   43   1HB   LYS   6          2HB       LYS   6 -22.609 -10.112   1.779
   44   2HB   LYS   6          1HB       LYS   6 -21.156  -9.796   0.845
   45   1HG   LYS   6          2HG       LYS   6 -21.414  -7.395   1.263
   46   2HG   LYS   6          1HG       LYS   6 -22.866  -7.721   2.210
   47   1HD   LYS   6          2HD       LYS   6 -21.350  -7.644   3.906
   48   2HD   LYS   6          1HD       LYS   6 -21.214  -9.353   3.491
   49   1HE   LYS   6          2HE       LYS   6 -19.379  -7.101   2.700
   50   2HE   LYS   6          1HE       LYS   6 -19.006  -8.501   3.704
   51   1HZ   LYS   6          2HZ       LYS   6 -19.549  -9.858   1.647
   52   2HZ   LYS   6          1HZ       LYS   6 -19.444  -8.409   0.782
   53   3HZ   LYS   6          3HZ       LYS   6 -18.099  -8.990   1.630
   54    H    VAL   7           H        VAL   7 -25.426  -9.591   0.428
   55    HA   VAL   7           HA       VAL   7 -26.487  -7.089  -0.286
   56    HB   VAL   7           HB       VAL   7 -28.525  -7.782   0.609
   57   1HG1  VAL   7          2HG1      VAL   7 -26.996 -10.299  -0.037
   58   2HG1  VAL   7          1HG1      VAL   7 -28.752 -10.144  -0.015
   59   3HG1  VAL   7          3HG1      VAL   7 -27.801  -9.237  -1.192
   60   1HG2  VAL   7          2HG2      VAL   7 -26.884  -9.366   2.556
   61   2HG2  VAL   7          1HG2      VAL   7 -28.121  -8.150   2.874
   62   3HG2  VAL   7          3HG2      VAL   7 -28.584  -9.742   2.273
   63    H    TYR   8           H        TYR   8 -27.113  -5.305   0.925
   64    HA   TYR   8           HA       TYR   8 -25.369  -4.655   3.082
   65   1HB   TYR   8          2HB       TYR   8 -25.911  -2.842   1.693
   66   2HB   TYR   8          1HB       TYR   8 -27.630  -3.219   1.722
   67    HD1  TYR   8           HD2      TYR   8 -24.851  -1.695   3.587
   68    HD2  TYR   8           HD1      TYR   8 -29.037  -2.463   3.528
   69    HE1  TYR   8           HE2      TYR   8 -25.171  -0.068   5.402
   70    HE2  TYR   8           HE1      TYR   8 -29.366  -0.837   5.343
   71    HH   TYR   8           HH       TYR   8 -26.614   0.820   6.848
   72    H    GLU   9           H        GLU   9 -28.372  -6.159   2.902
   73    HA   GLU   9           HA       GLU   9 -29.529  -7.205   4.603
   74   1HB   GLU   9          2HB       GLU   9 -28.365  -5.343   6.655
   75   2HB   GLU   9          1HB       GLU   9 -29.017  -6.957   6.871
   76   1HG   GLU   9          2HG       GLU   9 -26.816  -7.172   5.090
   77   2HG   GLU   9          1HG       GLU   9 -26.302  -6.183   6.455
   78    H    ASN  10           H        ASN  10 -31.543  -6.808   5.404
   79    HA   ASN  10           HA       ASN  10 -33.529  -5.604   4.887
   80   1HB   ASN  10          2HB       ASN  10 -33.096  -5.968   7.334
   81   2HB   ASN  10          1HB       ASN  10 -32.461  -4.327   7.406
   82   1HD2  ASN  10          2HD2      ASN  10 -36.468  -4.980   6.955
   83   2HD2  ASN  10          1HD2      ASN  10 -35.320  -6.208   6.555
   84    H    TYR  11           H        TYR  11 -31.794  -4.379   3.174
   85    HA   TYR  11           HA       TYR  11 -31.301  -1.670   3.589
   86   1HB   TYR  11          2HB       TYR  11 -30.351  -3.016   1.731
   87   2HB   TYR  11          1HB       TYR  11 -31.931  -3.002   0.952
   88    HD1  TYR  11           HD1      TYR  11 -32.882  -0.834   0.146
   89    HD2  TYR  11           HD2      TYR  11 -28.879  -1.162   1.553
   90    HE1  TYR  11           HE1      TYR  11 -32.325   1.293  -0.955
   91    HE2  TYR  11           HE2      TYR  11 -28.313   0.965   0.456
   92    HH   TYR  11           HH       TYR  11 -29.097   2.387  -1.322
   93    HA   PRO  12           HA       PRO  12 -35.461   0.052   3.902
   94   1HB   PRO  12          2HB       PRO  12 -34.017   2.292   2.526
   95   2HB   PRO  12          1HB       PRO  12 -35.155   2.357   3.878
   96   1HG   PRO  12          2HG       PRO  12 -32.528   2.551   4.290
   97   2HG   PRO  12          1HG       PRO  12 -33.571   1.670   5.419
   98   1HD   PRO  12          2HD       PRO  12 -31.603   0.629   3.464
   99   2HD   PRO  12          1HD       PRO  12 -32.187  -0.093   4.976
  100    H    VAL  13           H        VAL  13 -36.249  -1.458   2.286
  101    HA   VAL  13           HA       VAL  13 -35.912  -1.281  -0.450
  102    HB   VAL  13           HB       VAL  13 -38.611  -1.962   0.649
  103   1HG1  VAL  13          2HG1      VAL  13 -37.853  -2.063  -1.827
  104   2HG1  VAL  13          1HG1      VAL  13 -37.005  -3.529  -1.330
  105   3HG1  VAL  13          3HG1      VAL  13 -38.755  -3.419  -1.148
  106   1HG2  VAL  13          1HG2      VAL  13 -36.049  -3.446   1.127
  107   2HG2  VAL  13          3HG2      VAL  13 -37.343  -3.062   2.263
  108   3HG2  VAL  13          2HG2      VAL  13 -37.589  -4.298   1.029
  109    H    SER  14           H        SER  14 -35.929   0.709  -1.344
  110    HA   SER  14           HA       SER  14 -38.355   1.828  -2.171
  111   1HB   SER  14          2HB       SER  14 -37.808   4.117  -0.884
  112   2HB   SER  14          1HB       SER  14 -38.866   2.883  -0.200
  113    HG   SER  14           HG       SER  14 -37.459   2.552   1.317
  114    H    LYS  15           H        LYS  15 -35.546   3.713  -1.125
  115    HA   LYS  15           HA       LYS  15 -35.152   4.806  -3.717
  116   1HB   LYS  15          2HB       LYS  15 -33.256   4.812  -1.361
  117   2HB   LYS  15          1HB       LYS  15 -33.167   5.865  -2.766
  118   1HG   LYS  15          2HG       LYS  15 -35.620   6.495  -2.002
  119   2HG   LYS  15          1HG       LYS  15 -35.007   5.954  -0.438
  120   1HD   LYS  15          2HD       LYS  15 -34.387   8.147  -0.316
  121   2HD   LYS  15          1HD       LYS  15 -32.962   7.511  -1.140
  122   1HE   LYS  15          2HE       LYS  15 -35.308   8.965  -2.338
  123   2HE   LYS  15          1HE       LYS  15 -33.617   9.461  -2.320
  124   1HZ   LYS  15          3HZ       LYS  15 -34.644   7.069  -3.747
  125   2HZ   LYS  15          2HZ       LYS  15 -34.353   8.565  -4.481
  126   3HZ   LYS  15          1HZ       LYS  15 -33.070   7.688  -3.813
  127    H    CYS  16           H        CYS  16 -34.668   3.347  -5.282
  128    HA   CYS  16           HA       CYS  16 -32.025   2.373  -5.489
  129   1HB   CYS  16          2HB       CYS  16 -33.796   0.675  -4.054
  130   2HB   CYS  16          1HB       CYS  16 -33.510  -0.087  -5.613
  131    H    GLN  17           H        GLN  17 -31.857   3.012  -7.550
  132    HA   GLN  17           HA       GLN  17 -32.730   1.579  -9.696
  133   1HB   GLN  17          2HB       GLN  17 -34.859   3.240  -8.651
  134   2HB   GLN  17          1HB       GLN  17 -34.479   3.720 -10.293
  135   1HG   GLN  17          2HG       GLN  17 -34.942   1.576 -11.140
  136   2HG   GLN  17          1HG       GLN  17 -34.979   0.867  -9.529
  137   1HE2  GLN  17          2HE2      GLN  17 -38.278   1.807  -8.831
  138   2HE2  GLN  17          1HE2      GLN  17 -36.763   1.292  -8.178
  139    H    LEU  18           H        LEU  18 -30.483   3.125  -8.844
  140    HA   LEU  18           HA       LEU  18 -29.831   4.409 -11.293
  141   1HB   LEU  18          2HB       LEU  18 -30.842   6.029  -9.088
  142   2HB   LEU  18          1HB       LEU  18 -29.254   6.553  -9.615
  143    HG   LEU  18           HG       LEU  18 -31.440   6.113 -11.601
  144   1HD1  LEU  18          1HD1      LEU  18 -31.043   8.489  -9.815
  145   2HD1  LEU  18          3HD1      LEU  18 -31.830   8.620 -11.388
  146   3HD1  LEU  18          2HD1      LEU  18 -32.524   7.588 -10.138
  147   1HD2  LEU  18          3HD2      LEU  18 -29.121   6.414 -12.379
  148   2HD2  LEU  18          2HD2      LEU  18 -30.190   7.712 -12.912
  149   3HD2  LEU  18          1HD2      LEU  18 -29.076   7.981 -11.571
  150    H    ALA  19           H        ALA  19 -27.642   4.728 -11.548
  151    HA   ALA  19           HA       ALA  19 -25.890   3.155 -10.025
  152   1HB   ALA  19          2HB       ALA  19 -25.565   3.844 -12.405
  153   2HB   ALA  19          1HB       ALA  19 -25.113   5.447 -11.820
  154   3HB   ALA  19          3HB       ALA  19 -24.138   4.042 -11.388
  155    H    ASN  20           H        ASN  20 -26.976   4.445  -8.021
  156    HA   ASN  20           HA       ASN  20 -24.784   6.032  -6.966
  157   1HB   ASN  20          2HB       ASN  20 -26.190   7.760  -7.887
  158   2HB   ASN  20          1HB       ASN  20 -27.623   7.058  -7.143
  159   1HD2  ASN  20          2HD2      ASN  20 -24.919   8.712  -4.554
  160   2HD2  ASN  20          1HD2      ASN  20 -24.392   7.676  -5.831
  161    H    GLN  21           H        GLN  21 -27.562   6.571  -5.211
  162    HA   GLN  21           HA       GLN  21 -27.461   5.939  -2.855
  163   1HB   GLN  21          2HB       GLN  21 -29.347   4.528  -4.682
  164   2HB   GLN  21          1HB       GLN  21 -29.337   4.069  -2.985
  165   1HG   GLN  21          2HG       GLN  21 -30.996   5.851  -3.729
  166   2HG   GLN  21          1HG       GLN  21 -30.040   6.171  -2.283
  167   1HE2  GLN  21          2HE2      GLN  21 -28.274   8.869  -3.645
  168   2HE2  GLN  21          1HE2      GLN  21 -28.328   7.668  -2.404
  169    H    CYS  22           H        CYS  22 -27.918   2.806  -4.448
  170    HA   CYS  22           HA       CYS  22 -26.629   1.332  -2.451
  171   1HB   CYS  22          2HB       CYS  22 -28.184   0.649  -4.515
  172   2HB   CYS  22          1HB       CYS  22 -26.625   0.264  -5.235
  173    H    ASN  23           H        ASN  23 -25.427   2.164  -5.706
  174    HA   ASN  23           HA       ASN  23 -22.876   1.124  -5.458
  175   1HB   ASN  23          2HB       ASN  23 -24.269   2.677  -7.336
  176   2HB   ASN  23          1HB       ASN  23 -22.844   3.632  -6.945
  177   1HD2  ASN  23          2HD2      ASN  23 -20.632   0.928  -8.021
  178   2HD2  ASN  23          1HD2      ASN  23 -20.893   1.873  -6.600
  179    H    TYR  24           H        TYR  24 -23.770   4.551  -5.000
  180    HA   TYR  24           HA       TYR  24 -21.372   5.458  -3.977
  181   1HB   TYR  24          2HB       TYR  24 -22.681   7.293  -4.209
  182   2HB   TYR  24          1HB       TYR  24 -24.157   6.366  -3.980
  183    HD1  TYR  24           HD1      TYR  24 -21.272   7.106  -1.715
  184    HD2  TYR  24           HD2      TYR  24 -25.463   7.412  -2.385
  185    HE1  TYR  24           HE1      TYR  24 -21.548   8.108   0.511
  186    HE2  TYR  24           HE2      TYR  24 -25.750   8.417  -0.160
  187    HH   TYR  24           HH       TYR  24 -24.501   9.566   1.520
  188    H    ASP  25           H        ASP  25 -24.190   4.319  -2.121
  189    HA   ASP  25           HA       ASP  25 -23.150   4.509   0.419
  190   1HB   ASP  25          2HB       ASP  25 -25.106   2.558  -0.776
  191   2HB   ASP  25          1HB       ASP  25 -24.696   2.532   0.937
  192    H    CYS  26           H        CYS  26 -23.266   1.417  -1.387
  193    HA   CYS  26           HA       CYS  26 -21.649  -0.036   0.280
  194   1HB   CYS  26          2HB       CYS  26 -21.626  -0.168  -2.745
  195   2HB   CYS  26          1HB       CYS  26 -21.072  -1.434  -1.654
  196    H    LYS  27           H        LYS  27 -20.668   2.130  -2.334
  197    HA   LYS  27           HA       LYS  27 -17.917   1.685  -2.210
  198   1HB   LYS  27          2HB       LYS  27 -19.333   3.010  -3.934
  199   2HB   LYS  27          1HB       LYS  27 -19.067   4.380  -2.865
  200   1HG   LYS  27          2HG       LYS  27 -16.804   4.456  -3.304
  201   2HG   LYS  27          1HG       LYS  27 -16.737   2.768  -3.810
  202   1HD   LYS  27          2HD       LYS  27 -16.492   4.276  -5.718
  203   2HD   LYS  27          1HD       LYS  27 -17.967   3.316  -5.844
  204   1HE   LYS  27          2HE       LYS  27 -19.337   5.123  -5.405
  205   2HE   LYS  27          1HE       LYS  27 -18.064   6.019  -4.577
  206   1HZ   LYS  27          1HZ       LYS  27 -16.963   6.126  -6.853
  207   2HZ   LYS  27          3HZ       LYS  27 -18.460   5.655  -7.484
  208   3HZ   LYS  27          2HZ       LYS  27 -18.326   7.098  -6.610
  209    H    LEU  28           H        LEU  28 -19.604   2.513   0.386
  210    HA   LEU  28           HA       LEU  28 -17.328   3.659   1.703
  211   1HB   LEU  28          2HB       LEU  28 -18.371   5.618   0.540
  212   2HB   LEU  28          1HB       LEU  28 -19.802   5.370   1.521
  213    HG   LEU  28           HG       LEU  28 -18.088   5.580   3.515
  214   1HD1  LEU  28          2HD1      LEU  28 -16.168   5.691   1.866
  215   2HD1  LEU  28          1HD1      LEU  28 -16.736   7.313   1.468
  216   3HD1  LEU  28          3HD1      LEU  28 -16.212   6.941   3.110
  217   1HD2  LEU  28          1HD2      LEU  28 -19.986   7.066   3.121
  218   2HD2  LEU  28          3HD2      LEU  28 -18.557   7.975   3.613
  219   3HD2  LEU  28          2HD2      LEU  28 -19.048   7.954   1.920
  220    H    ASP  29           H        ASP  29 -20.760   2.866   1.828
  221    HA   ASP  29           HA       ASP  29 -20.955   2.850   4.664
  222   1HB   ASP  29          2HB       ASP  29 -22.666   1.595   2.513
  223   2HB   ASP  29          1HB       ASP  29 -23.074   1.551   4.227
  224    H    LYS  30           H        LYS  30 -19.721   0.638   2.359
  225    HA   LYS  30           HA       LYS  30 -19.221  -1.314   4.491
  226   1HB   LYS  30          2HB       LYS  30 -20.996  -1.725   2.313
  227   2HB   LYS  30          1HB       LYS  30 -19.578  -2.711   1.994
  228   1HG   LYS  30          2HG       LYS  30 -21.021  -4.108   3.174
  229   2HG   LYS  30          1HG       LYS  30 -19.851  -3.571   4.381
  230   1HD   LYS  30          2HD       LYS  30 -21.459  -1.839   5.111
  231   2HD   LYS  30          1HD       LYS  30 -22.631  -2.479   3.958
  232   1HE   LYS  30          2HE       LYS  30 -23.157  -3.406   6.086
  233   2HE   LYS  30          1HE       LYS  30 -22.428  -4.691   5.123
  234   1HZ   LYS  30          2HZ       LYS  30 -20.489  -3.224   6.627
  235   2HZ   LYS  30          1HZ       LYS  30 -21.661  -3.921   7.625
  236   3HZ   LYS  30          3HZ       LYS  30 -20.766  -4.891   6.565
  237    H    HIS  31           H        HIS  31 -17.924   0.787   2.475
  238    HA   HIS  31           HA       HIS  31 -15.873   1.123   1.569
  239   1HB   HIS  31          2HB       HIS  31 -14.678  -1.300   2.799
  240   2HB   HIS  31          1HB       HIS  31 -14.114   0.368   2.811
  241    HD1  HIS  31           HD1      HIS  31 -15.940  -2.110   4.817
  242    HD2  HIS  31           HD2      HIS  31 -15.373   2.007   4.823
  243    HE1  HIS  31           HE1      HIS  31 -16.697  -1.331   7.084
  244    HE2  HIS  31           HE2      HIS  31 -16.416   1.173   7.038
  245    H    ALA  32           H        ALA  32 -17.798  -0.529   0.178
  246    HA   ALA  32           HA       ALA  32 -16.262  -2.604  -1.141
  247   1HB   ALA  32          1HB       ALA  32 -18.888  -2.417  -0.583
  248   2HB   ALA  32          3HB       ALA  32 -18.894  -1.814  -2.240
  249   3HB   ALA  32          2HB       ALA  32 -18.245  -3.415  -1.885
  250    H    ARG  33           H        ARG  33 -16.810  -2.571  -3.704
  251    HA   ARG  33           HA       ARG  33 -15.555  -0.100  -4.667
  252   1HB   ARG  33          2HB       ARG  33 -15.657  -2.920  -5.658
  253   2HB   ARG  33          1HB       ARG  33 -15.386  -1.624  -6.815
  254   1HG   ARG  33          2HG       ARG  33 -13.710  -2.129  -4.365
  255   2HG   ARG  33          1HG       ARG  33 -13.301  -2.640  -6.003
  256   1HD   ARG  33          2HD       ARG  33 -13.711  -0.059  -6.492
  257   2HD   ARG  33          1HD       ARG  33 -13.276   0.070  -4.789
  258    HE   ARG  33           HE       ARG  33 -11.149  -0.914  -5.320
  259   1HH1  ARG  33          1HH2      ARG  33 -13.070   0.038  -8.075
  260   2HH1  ARG  33          2HH2      ARG  33 -11.713   0.120  -9.146
  261   1HH2  ARG  33          1HH1      ARG  33  -9.613  -0.361  -8.385
  262   2HH2  ARG  33          2HH1      ARG  33  -9.369  -0.807  -6.729
  263    H    SER  34           H        SER  34 -18.497  -1.904  -4.797
  264    HA   SER  34           HA       SER  34 -19.940   0.202  -5.968
  265   1HB   SER  34          2HB       SER  34 -20.557  -1.271  -8.084
  266   2HB   SER  34          1HB       SER  34 -19.156  -0.201  -8.104
  267    HG   SER  34           HG       SER  34 -17.828  -1.903  -7.908
  268    H    GLY  35           H        GLY  35 -22.053  -1.178  -7.159
  269   1HA   GLY  35          2HA       GLY  35 -22.915  -3.465  -5.764
  270   2HA   GLY  35          1HA       GLY  35 -23.504  -2.042  -4.916
  271    H    GLU  36           H        GLU  36 -25.533  -3.364  -5.619
  272    HA   GLU  36           HA       GLU  36 -26.904  -1.842  -7.543
  273   1HB   GLU  36          2HB       GLU  36 -25.338  -3.479  -8.899
  274   2HB   GLU  36          1HB       GLU  36 -26.611  -4.639  -8.550
  275   1HG   GLU  36          2HG       GLU  36 -27.144  -3.756 -10.647
  276   2HG   GLU  36          1HG       GLU  36 -28.225  -2.939  -9.519
  277    H    CYS  37           H        CYS  37 -29.107  -2.242  -7.557
  278    HA   CYS  37           HA       CYS  37 -30.057  -3.934  -5.393
  279   1HB   CYS  37          2HB       CYS  37 -30.883  -1.472  -6.599
  280   2HB   CYS  37          1HB       CYS  37 -32.218  -2.611  -6.701
  281    H    PHE  38           H        PHE  38 -30.293  -6.030  -5.933
  282    HA   PHE  38           HA       PHE  38 -31.368  -6.715  -8.579
  283   1HB   PHE  38          2HB       PHE  38 -29.794  -8.218  -6.519
  284   2HB   PHE  38          1HB       PHE  38 -30.706  -9.093  -7.746
  285    HD1  PHE  38           HD1      PHE  38 -30.188  -8.697 -10.159
  286    HD2  PHE  38           HD2      PHE  38 -27.734  -7.202  -7.021
  287    HE1  PHE  38           HE1      PHE  38 -28.345  -8.379 -11.757
  288    HE2  PHE  38           HE2      PHE  38 -25.886  -6.882  -8.612
  289    HZ   PHE  38           HZ       PHE  38 -26.190  -7.471 -10.985
  290    H    TYR  39           H        TYR  39 -33.386  -7.341  -8.858
  291    HA   TYR  39           HA       TYR  39 -35.208  -7.587  -6.662
  292   1HB   TYR  39          2HB       TYR  39 -35.496  -7.960  -9.637
  293   2HB   TYR  39          1HB       TYR  39 -36.831  -8.211  -8.520
  294    HD1  TYR  39           HD1      TYR  39 -37.616  -6.241  -7.099
  295    HD2  TYR  39           HD2      TYR  39 -34.904  -5.812 -10.361
  296    HE1  TYR  39           HE1      TYR  39 -38.147  -3.838  -7.232
  297    HE2  TYR  39           HE2      TYR  39 -35.419  -3.411 -10.482
  298    HH   TYR  39           HH       TYR  39 -36.298  -1.639  -9.082
  299    H    ASP  40           H        ASP  40 -36.837  -9.491  -6.772
  300    HA   ASP  40           HA       ASP  40 -35.964 -12.042  -7.596
  301   1HB   ASP  40          2HB       ASP  40 -35.584 -12.980  -5.266
  302   2HB   ASP  40          1HB       ASP  40 -34.293 -11.964  -5.901
  303    H    GLU  41           H        GLU  41 -37.384 -13.726  -6.966
  304    HA   GLU  41           HA       GLU  41 -39.686 -14.195  -7.195
  305   1HB   GLU  41          2HB       GLU  41 -40.326 -14.447  -4.580
  306   2HB   GLU  41          1HB       GLU  41 -39.269 -15.560  -5.437
  307   1HG   GLU  41          2HG       GLU  41 -37.325 -14.528  -4.568
  308   2HG   GLU  41          1HG       GLU  41 -38.251 -13.167  -3.934
  309    H    LYS  42           H        LYS  42 -39.708 -12.079  -4.322
  310    HA   LYS  42           HA       LYS  42 -42.180 -10.875  -5.335
  311   1HB   LYS  42          2HB       LYS  42 -42.249 -11.839  -3.092
  312   2HB   LYS  42          1HB       LYS  42 -40.928 -10.796  -2.585
  313   1HG   LYS  42          2HG       LYS  42 -42.378  -9.196  -2.023
  314   2HG   LYS  42          1HG       LYS  42 -42.986  -9.144  -3.675
  315   1HD   LYS  42          2HD       LYS  42 -43.932 -11.224  -1.722
  316   2HD   LYS  42          1HD       LYS  42 -44.653  -9.616  -1.781
  317   1HE   LYS  42          2HE       LYS  42 -46.001 -10.973  -3.160
  318   2HE   LYS  42          1HE       LYS  42 -45.012 -10.010  -4.255
  319   1HZ   LYS  42          1HZ       LYS  42 -43.924 -12.592  -3.481
  320   2HZ   LYS  42          3HZ       LYS  42 -45.294 -12.636  -4.473
  321   3HZ   LYS  42          2HZ       LYS  42 -43.906 -11.815  -4.983
  322    H    ARG  43           H        ARG  43 -39.969 -10.017  -6.683
  323    HA   ARG  43           HA       ARG  43 -38.468  -8.274  -6.960
  324   1HB   ARG  43          2HB       ARG  43 -39.811  -6.288  -7.664
  325   2HB   ARG  43          1HB       ARG  43 -40.331  -7.802  -8.380
  326   1HG   ARG  43          2HG       ARG  43 -41.663  -6.870  -5.885
  327   2HG   ARG  43          1HG       ARG  43 -42.056  -6.065  -7.403
  328   1HD   ARG  43          2HD       ARG  43 -42.566  -8.887  -6.558
  329   2HD   ARG  43          1HD       ARG  43 -43.667  -7.720  -7.276
  330    HE   ARG  43           HE       ARG  43 -41.520  -9.065  -8.784
  331   1HH1  ARG  43          1HH2      ARG  43 -44.785  -7.834  -8.557
  332   2HH1  ARG  43          2HH2      ARG  43 -45.203  -8.312 -10.166
  333   1HH2  ARG  43          2HH1      ARG  43 -42.079  -9.696 -10.893
  334   2HH2  ARG  43          1HH1      ARG  43 -43.668  -9.358 -11.494
  335    H    ASN  44           H        ASN  44 -37.748  -8.470  -4.572
  336    HA   ASN  44           HA       ASN  44 -38.594  -6.149  -3.011
  337   1HB   ASN  44          2HB       ASN  44 -37.400  -8.773  -2.363
  338   2HB   ASN  44          1HB       ASN  44 -36.858  -7.433  -1.360
  339   1HD2  ASN  44          2HD2      ASN  44 -40.894  -7.667  -1.297
  340   2HD2  ASN  44          1HD2      ASN  44 -40.016  -7.344  -2.750
  341    H    LEU  45           H        LEU  45 -36.258  -6.778  -5.223
  342    HA   LEU  45           HA       LEU  45 -34.106  -6.030  -5.582
  343   1HB   LEU  45          2HB       LEU  45 -33.980  -3.576  -5.636
  344   2HB   LEU  45          1HB       LEU  45 -35.366  -4.233  -6.467
  345    HG   LEU  45           HG       LEU  45 -35.502  -3.038  -3.695
  346   1HD1  LEU  45          3HD1      LEU  45 -35.059  -1.657  -6.131
  347   2HD1  LEU  45          2HD1      LEU  45 -36.736  -1.375  -5.674
  348   3HD1  LEU  45          1HD1      LEU  45 -35.440  -0.986  -4.545
  349   1HD2  LEU  45          1HD2      LEU  45 -37.374  -4.532  -5.236
  350   2HD2  LEU  45          3HD2      LEU  45 -37.605  -3.758  -3.671
  351   3HD2  LEU  45          2HD2      LEU  45 -37.948  -2.870  -5.152
  352    H    GLN  46           H        GLN  46 -32.745  -6.945  -4.149
  353    HA   GLN  46           HA       GLN  46 -32.324  -5.626  -1.573
  354   1HB   GLN  46          2HB       GLN  46 -31.534  -8.274  -2.732
  355   2HB   GLN  46          1HB       GLN  46 -30.598  -7.609  -1.399
  356   1HG   GLN  46          2HG       GLN  46 -32.150  -8.963  -0.345
  357   2HG   GLN  46          1HG       GLN  46 -32.863  -7.355  -0.208
  358   1HE2  GLN  46          2HE2      GLN  46 -35.441  -9.797  -1.282
  359   2HE2  GLN  46          1HE2      GLN  46 -34.340  -9.685   0.045
  360    H    CYS  47           H        CYS  47 -30.497  -4.511  -1.064
  361    HA   CYS  47           HA       CYS  47 -28.922  -3.536  -3.248
  362   1HB   CYS  47          2HB       CYS  47 -29.594  -2.667  -0.633
  363   2HB   CYS  47          1HB       CYS  47 -27.838  -2.724  -0.714
  364    H    ILE  48           H        ILE  48 -27.574  -5.037  -4.094
  365    HA   ILE  48           HA       ILE  48 -25.870  -6.638  -2.375
  366    HB   ILE  48           HB       ILE  48 -25.934  -6.505  -5.392
  367   1HG1  ILE  48          2HG1      ILE  48 -27.398  -8.206  -3.385
  368   2HG1  ILE  48          1HG1      ILE  48 -28.050  -7.323  -4.762
  369   1HG2  ILE  48          3HG2      ILE  48 -23.816  -7.347  -4.432
  370   2HG2  ILE  48          2HG2      ILE  48 -24.727  -8.588  -3.571
  371   3HG2  ILE  48          1HG2      ILE  48 -24.695  -8.581  -5.334
  372   1HD1  ILE  48          1HD1      ILE  48 -26.555  -8.996  -6.123
  373   2HD1  ILE  48          3HD1      ILE  48 -26.710  -9.969  -4.661
  374   3HD1  ILE  48          2HD1      ILE  48 -28.153  -9.461  -5.539
  375    H    CYS  49           H        CYS  49 -24.068  -5.810  -1.580
  376    HA   CYS  49           HA       CYS  49 -22.756  -3.589  -2.932
  377   1HB   CYS  49          2HB       CYS  49 -22.404  -4.864  -0.220
  378   2HB   CYS  49          1HB       CYS  49 -21.288  -3.651  -0.837
  379    H    ASP  50           H        ASP  50 -21.207  -3.958  -4.352
  380    HA   ASP  50           HA       ASP  50 -19.784  -6.502  -4.324
  381   1HB   ASP  50          2HB       ASP  50 -20.887  -5.457  -6.417
  382   2HB   ASP  50          1HB       ASP  50 -19.485  -4.389  -6.442
  383    H    TYR  51           H        TYR  51 -17.767  -6.717  -3.673
  384    HA   TYR  51           HA       TYR  51 -16.280  -4.330  -2.880
  385   1HB   TYR  51          2HB       TYR  51 -16.115  -7.238  -2.158
  386   2HB   TYR  51          1HB       TYR  51 -14.809  -6.125  -1.756
  387    HD1  TYR  51           HD2      TYR  51 -18.461  -6.661  -1.332
  388    HD2  TYR  51           HD1      TYR  51 -14.935  -4.849   0.209
  389    HE1  TYR  51           HE2      TYR  51 -19.691  -6.012   0.692
  390    HE2  TYR  51           HE1      TYR  51 -16.154  -4.194   2.243
  391    HH   TYR  51           HH       TYR  51 -19.560  -5.086   2.713
  392    H    CYS  52           H        CYS  52 -16.494  -6.025  -5.621
  393    HA   CYS  52           HA       CYS  52 -13.705  -5.470  -6.333
  394   1HB   CYS  52          2HB       CYS  52 -15.123  -8.088  -6.869
  395   2HB   CYS  52          1HB       CYS  52 -13.641  -7.597  -7.671
  396    H    GLU  53           H        GLU  53 -16.356  -7.105  -8.031
  397    HA   GLU  53           HA       GLU  53 -17.326  -6.694 -10.049
  398   1HB   GLU  53          2HB       GLU  53 -17.957  -4.667  -8.343
  399   2HB   GLU  53          1HB       GLU  53 -17.283  -3.760  -9.688
  400   1HG   GLU  53          2HG       GLU  53 -19.497  -5.784  -9.922
  401   2HG   GLU  53          1HG       GLU  53 -19.729  -4.040  -9.807
  402    H    TYR  54           HN       TYR  54 -14.283  -6.323  -9.701
  403    HA   TYR  54           HA       TYR  54 -13.488  -6.120 -12.297
  404   1HB   TYR  54          2HB       TYR  54 -14.251  -3.514 -11.340
  405   2HB   TYR  54          1HB       TYR  54 -12.520  -3.520 -11.607
  406    HD1  TYR  54           HD1      TYR  54 -15.076  -5.391 -13.615
  407    HD2  TYR  54           HD2      TYR  54 -12.336  -2.131 -13.455
  408    HE1  TYR  54           HE1      TYR  54 -15.418  -4.991 -16.008
  409    HE2  TYR  54           HE2      TYR  54 -12.679  -1.728 -15.854
  410    HH   TYR  54           HH       TYR  54 -14.627  -3.900 -17.824
   
  No H/Q in entry =         410
  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1 -18.025 -14.878  -8.595
    2    HA   PCA   1           HA       PCA   1 -16.175 -16.643  -8.847
    3   1HB   PCA   1          1HB       PCA   1 -14.281 -15.964  -9.888
    4   2HB   PCA   1          2HB       PCA   1 -14.022 -14.677  -8.688
    5   1HG   PCA   1          1HG       PCA   1 -15.219 -14.501 -11.353
    6   2HG   PCA   1          2HG       PCA   1 -14.781 -13.186 -10.246
    7    H    ASP   2           H        ASP   2 -16.090 -17.473  -6.864
    8    HA   ASP   2           HA       ASP   2 -15.966 -17.663  -4.597
    9   1HB   ASP   2          2HB       ASP   2 -13.596 -17.100  -5.155
   10   2HB   ASP   2          1HB       ASP   2 -13.966 -15.408  -4.840
   11    H    LYS   3           H        LYS   3 -18.087 -16.097  -5.481
   12    HA   LYS   3           HA       LYS   3 -19.541 -14.423  -4.907
   13   1HB   LYS   3          2HB       LYS   3 -18.597 -15.463  -2.235
   14   2HB   LYS   3          1HB       LYS   3 -19.952 -14.357  -2.410
   15   1HG   LYS   3          2HG       LYS   3 -20.835 -16.164  -4.077
   16   2HG   LYS   3          1HG       LYS   3 -19.721 -17.221  -3.209
   17   1HD   LYS   3          2HD       LYS   3 -20.844 -16.850  -1.147
   18   2HD   LYS   3          1HD       LYS   3 -21.796 -15.527  -1.825
   19   1HE   LYS   3          2HE       LYS   3 -22.819 -17.936  -1.532
   20   2HE   LYS   3          1HE       LYS   3 -23.225 -16.932  -2.922
   21   1HZ   LYS   3          3HZ       LYS   3 -21.065 -18.199  -3.827
   22   2HZ   LYS   3          2HZ       LYS   3 -21.692 -19.388  -2.798
   23   3HZ   LYS   3          1HZ       LYS   3 -22.644 -18.765  -4.050
   24    H    CYS   4           H        CYS   4 -18.988 -12.454  -5.503
   25    HA   CYS   4           HA       CYS   4 -17.179 -10.907  -3.760
   26   1HB   CYS   4          2HB       CYS   4 -17.087 -11.432  -6.561
   27   2HB   CYS   4          1HB       CYS   4 -17.395  -9.710  -6.352
   28    H    LYS   5           H        LYS   5 -20.204 -11.321  -3.828
   29    HA   LYS   5           HA       LYS   5 -20.870  -8.497  -3.539
   30   1HB   LYS   5          2HB       LYS   5 -23.037  -8.903  -4.792
   31   2HB   LYS   5          1HB       LYS   5 -21.580  -8.809  -5.770
   32   1HG   LYS   5          2HG       LYS   5 -22.344 -10.694  -6.720
   33   2HG   LYS   5          1HG       LYS   5 -21.721 -11.486  -5.274
   34   1HD   LYS   5          2HD       LYS   5 -24.061 -10.924  -4.283
   35   2HD   LYS   5          1HD       LYS   5 -24.536 -10.759  -5.975
   36   1HE   LYS   5          2HE       LYS   5 -23.324 -13.081  -6.199
   37   2HE   LYS   5          1HE       LYS   5 -23.661 -13.177  -4.471
   38   1HZ   LYS   5          2HZ       LYS   5 -26.037 -12.559  -5.165
   39   2HZ   LYS   5          1HZ       LYS   5 -25.568 -13.037  -6.717
   40   3HZ   LYS   5          3HZ       LYS   5 -25.511 -14.143  -5.437
   41    H    LYS   6           H        LYS   6 -22.392  -8.085  -1.984
   42    HA   LYS   6           HA       LYS   6 -23.858 -10.323  -0.803
   43   1HB   LYS   6          2HB       LYS   6 -22.400  -8.454   1.037
   44   2HB   LYS   6          1HB       LYS   6 -23.053 -10.050   1.370
   45   1HG   LYS   6          2HG       LYS   6 -20.729  -9.639  -0.483
   46   2HG   LYS   6          1HG       LYS   6 -20.528  -9.812   1.260
   47   1HD   LYS   6          2HD       LYS   6 -22.180 -11.834  -0.158
   48   2HD   LYS   6          1HD       LYS   6 -20.431 -11.896  -0.374
   49   1HE   LYS   6          2HE       LYS   6 -21.443 -13.279   1.525
   50   2HE   LYS   6          1HE       LYS   6 -20.044 -12.274   1.898
   51   1HZ   LYS   6          3HZ       LYS   6 -22.860 -11.477   2.400
   52   2HZ   LYS   6          2HZ       LYS   6 -21.830 -12.132   3.571
   53   3HZ   LYS   6          1HZ       LYS   6 -21.470 -10.635   2.872
   54    H    VAL   7           H        VAL   7 -25.846  -9.766  -0.109
   55    HA   VAL   7           HA       VAL   7 -26.943  -7.270  -0.780
   56    HB   VAL   7           HB       VAL   7 -28.973  -8.003   0.141
   57   1HG1  VAL   7          3HG1      VAL   7 -27.357 -10.365  -0.781
   58   2HG1  VAL   7          2HG1      VAL   7 -29.093 -10.448  -0.481
   59   3HG1  VAL   7          1HG1      VAL   7 -28.463  -9.363  -1.721
   60   1HG2  VAL   7          3HG2      VAL   7 -27.302  -9.726   1.953
   61   2HG2  VAL   7          2HG2      VAL   7 -28.437  -8.448   2.392
   62   3HG2  VAL   7          1HG2      VAL   7 -29.034  -9.977   1.744
   63    H    TYR   8           H        TYR   8 -27.124  -5.405   0.297
   64    HA   TYR   8           HA       TYR   8 -25.624  -4.951   2.650
   65   1HB   TYR   8          2HB       TYR   8 -25.761  -3.037   1.376
   66   2HB   TYR   8          1HB       TYR   8 -27.433  -3.338   0.914
   67    HD1  TYR   8           HD2      TYR   8 -29.209  -3.053   2.791
   68    HD2  TYR   8           HD1      TYR   8 -25.283  -1.427   2.985
   69    HE1  TYR   8           HE2      TYR   8 -29.972  -1.428   4.470
   70    HE2  TYR   8           HE1      TYR   8 -26.035   0.203   4.666
   71    HH   TYR   8           HH       TYR   8 -29.050  -0.040   6.242
   72    H    GLU   9           H        GLU   9 -28.482  -6.471   2.263
   73    HA   GLU   9           HA       GLU   9 -29.826  -7.412   3.882
   74   1HB   GLU   9          2HB       GLU   9 -29.087  -5.185   5.784
   75   2HB   GLU   9          1HB       GLU   9 -29.892  -6.694   6.159
   76   1HG   GLU   9          2HG       GLU   9 -27.973  -7.871   6.242
   77   2HG   GLU   9          1HG       GLU   9 -27.231  -6.970   4.926
   78    H    ASN  10           H        ASN  10 -30.828  -4.905   5.698
   79    HA   ASN  10           HA       ASN  10 -33.340  -4.675   4.567
   80   1HB   ASN  10          2HB       ASN  10 -31.853  -2.673   6.278
   81   2HB   ASN  10          1HB       ASN  10 -33.582  -2.618   5.947
   82   1HD2  ASN  10          2HD2      ASN  10 -34.426  -4.906   8.390
   83   2HD2  ASN  10          1HD2      ASN  10 -34.919  -3.782   7.173
   84    H    TYR  11           H        TYR  11 -32.652  -1.503   4.837
   85    HA   TYR  11           HA       TYR  11 -31.856   0.140   3.354
   86   1HB   TYR  11          2HB       TYR  11 -30.867  -1.724   1.883
   87   2HB   TYR  11          1HB       TYR  11 -32.407  -1.697   1.025
   88    HD1  TYR  11           HD2      TYR  11 -29.315   0.140   1.722
   89    HD2  TYR  11           HD1      TYR  11 -33.010   0.170  -0.383
   90    HE1  TYR  11           HE2      TYR  11 -28.499   1.996   0.329
   91    HE2  TYR  11           HE1      TYR  11 -32.207   2.023  -1.783
   92    HH   TYR  11           HH       TYR  11 -29.495   3.855  -1.039
   93    HA   PRO  12           HA       PRO  12 -36.098   1.363   2.766
   94   1HB   PRO  12          2HB       PRO  12 -35.749   3.855   1.807
   95   2HB   PRO  12          1HB       PRO  12 -35.408   3.442   3.492
   96   1HG   PRO  12          2HG       PRO  12 -33.512   3.734   1.193
   97   2HG   PRO  12          1HG       PRO  12 -33.350   4.325   2.857
   98   1HD   PRO  12          2HD       PRO  12 -32.143   2.056   1.957
   99   2HD   PRO  12          1HD       PRO  12 -32.638   2.286   3.643
  100    H    VAL  13           H        VAL  13 -36.397  -0.241   1.072
  101    HA   VAL  13           HA       VAL  13 -35.774   0.023  -1.599
  102    HB   VAL  13           HB       VAL  13 -38.428  -1.090  -0.732
  103   1HG1  VAL  13          1HG1      VAL  13 -37.474  -0.960  -3.167
  104   2HG1  VAL  13          3HG1      VAL  13 -36.540  -2.364  -2.654
  105   3HG1  VAL  13          2HG1      VAL  13 -38.302  -2.412  -2.606
  106   1HG2  VAL  13          1HG2      VAL  13 -35.697  -2.101  -0.090
  107   2HG2  VAL  13          3HG2      VAL  13 -37.163  -2.117   0.890
  108   3HG2  VAL  13          2HG2      VAL  13 -36.981  -3.256  -0.445
  109    H    SER  14           H        SER  14 -36.069   1.825  -2.721
  110    HA   SER  14           HA       SER  14 -38.645   2.646  -3.527
  111   1HB   SER  14          2HB       SER  14 -38.362   5.045  -2.563
  112   2HB   SER  14          1HB       SER  14 -38.988   3.777  -1.509
  113    HG   SER  14           HG       SER  14 -37.408   4.389  -0.261
  114    H    LYS  15           H        LYS  15 -35.880   4.778  -2.891
  115    HA   LYS  15           HA       LYS  15 -35.798   5.718  -5.559
  116   1HB   LYS  15          2HB       LYS  15 -33.772   5.909  -3.323
  117   2HB   LYS  15          1HB       LYS  15 -33.608   6.734  -4.868
  118   1HG   LYS  15          2HG       LYS  15 -36.109   7.508  -4.110
  119   2HG   LYS  15          1HG       LYS  15 -35.293   7.385  -2.553
  120   1HD   LYS  15          2HD       LYS  15 -35.014   9.622  -3.325
  121   2HD   LYS  15          1HD       LYS  15 -33.458   8.810  -3.503
  122   1HE   LYS  15          2HE       LYS  15 -33.560   8.822  -5.789
  123   2HE   LYS  15          1HE       LYS  15 -35.323   8.779  -5.821
  124   1HZ   LYS  15          2HZ       LYS  15 -33.756  11.153  -4.977
  125   2HZ   LYS  15          1HZ       LYS  15 -34.316  10.917  -6.555
  126   3HZ   LYS  15          3HZ       LYS  15 -35.417  11.076  -5.280
  127    H    CYS  16           H        CYS  16 -34.538   2.927  -4.075
  128    HA   CYS  16           HA       CYS  16 -32.252   2.481  -5.667
  129   1HB   CYS  16          2HB       CYS  16 -33.687   1.113  -3.609
  130   2HB   CYS  16          1HB       CYS  16 -33.418  -0.023  -4.924
  131    H    GLN  17           H        GLN  17 -32.922   3.049  -7.784
  132    HA   GLN  17           HA       GLN  17 -34.385   0.891  -9.155
  133   1HB   GLN  17          2HB       GLN  17 -34.735   3.863  -9.574
  134   2HB   GLN  17          1HB       GLN  17 -35.369   2.635 -10.661
  135   1HG   GLN  17          2HG       GLN  17 -36.066   2.718  -7.744
  136   2HG   GLN  17          1HG       GLN  17 -36.974   3.607  -8.966
  137   1HE2  GLN  17          2HE2      GLN  17 -37.470  -0.369  -8.466
  138   2HE2  GLN  17          1HE2      GLN  17 -36.311   0.541  -7.563
  139    H    LEU  18           H        LEU  18 -31.640   2.830  -8.958
  140    HA   LEU  18           HA       LEU  18 -30.427   1.596 -11.219
  141   1HB   LEU  18          2HB       LEU  18 -31.618   4.249 -11.505
  142   2HB   LEU  18          1HB       LEU  18 -29.920   4.225 -11.943
  143    HG   LEU  18           HG       LEU  18 -31.903   2.280 -13.073
  144   1HD1  LEU  18          3HD1      LEU  18 -31.195   5.046 -13.970
  145   2HD1  LEU  18          2HD1      LEU  18 -31.723   3.816 -15.118
  146   3HD1  LEU  18          1HD1      LEU  18 -32.787   4.308 -13.799
  147   1HD2  LEU  18          1HD2      LEU  18 -29.096   3.094 -13.752
  148   2HD2  LEU  18          3HD2      LEU  18 -29.719   1.483 -13.390
  149   3HD2  LEU  18          2HD2      LEU  18 -30.140   2.271 -14.910
  150    H    ALA  19           H        ALA  19 -28.164   2.425 -11.548
  151    HA   ALA  19           HA       ALA  19 -26.727   2.358  -9.165
  152   1HB   ALA  19          2HB       ALA  19 -25.974   3.188 -11.948
  153   2HB   ALA  19          1HB       ALA  19 -24.810   3.197 -10.625
  154   3HB   ALA  19          3HB       ALA  19 -25.590   1.689 -11.102
  155    H    ASN  20           H        ASN  20 -25.900   3.828  -7.819
  156    HA   ASN  20           HA       ASN  20 -25.088   6.309  -7.952
  157   1HB   ASN  20          2HB       ASN  20 -26.835   7.329  -9.100
  158   2HB   ASN  20          1HB       ASN  20 -28.069   6.393  -8.263
  159   1HD2  ASN  20          2HD2      ASN  20 -26.356   9.430  -6.122
  160   2HD2  ASN  20          1HD2      ASN  20 -25.380   8.356  -7.059
  161    H    GLN  21           H        GLN  21 -28.042   6.299  -6.134
  162    HA   GLN  21           HA       GLN  21 -26.886   6.754  -3.680
  163   1HB   GLN  21          2HB       GLN  21 -29.511   6.188  -4.678
  164   2HB   GLN  21          1HB       GLN  21 -29.269   5.239  -3.219
  165   1HG   GLN  21          2HG       GLN  21 -29.053   8.224  -3.517
  166   2HG   GLN  21          1HG       GLN  21 -30.267   7.315  -2.616
  167   1HE2  GLN  21          2HE2      GLN  21 -26.939   8.503  -0.820
  168   2HE2  GLN  21          1HE2      GLN  21 -27.492   9.070  -2.354
  169    H    CYS  22           H        CYS  22 -28.069   3.620  -4.904
  170    HA   CYS  22           HA       CYS  22 -27.167   2.070  -2.758
  171   1HB   CYS  22          2HB       CYS  22 -28.755   1.423  -4.664
  172   2HB   CYS  22          1HB       CYS  22 -27.305   1.074  -5.597
  173    H    ASN  23           H        ASN  23 -25.639   2.575  -5.936
  174    HA   ASN  23           HA       ASN  23 -23.322   1.127  -5.541
  175   1HB   ASN  23          2HB       ASN  23 -23.965   2.121  -7.697
  176   2HB   ASN  23          1HB       ASN  23 -23.625   3.727  -7.062
  177   1HD2  ASN  23          2HD2      ASN  23 -20.064   3.164  -7.002
  178   2HD2  ASN  23          1HD2      ASN  23 -21.325   3.779  -5.994
  179    H    TYR  24           H        TYR  24 -23.461   4.686  -5.282
  180    HA   TYR  24           HA       TYR  24 -21.036   5.057  -4.022
  181   1HB   TYR  24          2HB       TYR  24 -21.764   7.162  -4.385
  182   2HB   TYR  24          1HB       TYR  24 -23.437   6.629  -4.469
  183    HD1  TYR  24           HD2      TYR  24 -20.904   6.835  -1.731
  184    HD2  TYR  24           HD1      TYR  24 -24.791   7.888  -3.102
  185    HE1  TYR  24           HE2      TYR  24 -21.354   7.928   0.417
  186    HE2  TYR  24           HE1      TYR  24 -25.253   8.987  -0.950
  187    HH   TYR  24           HH       TYR  24 -22.903   8.904   1.704
  188    H    ASP  25           H        ASP  25 -24.211   4.474  -2.524
  189    HA   ASP  25           HA       ASP  25 -23.540   4.694   0.131
  190   1HB   ASP  25          2HB       ASP  25 -25.471   2.897  -1.304
  191   2HB   ASP  25          1HB       ASP  25 -25.265   2.771   0.440
  192    H    CYS  26           H        CYS  26 -23.509   1.606  -1.685
  193    HA   CYS  26           HA       CYS  26 -22.235   0.130   0.303
  194   1HB   CYS  26          2HB       CYS  26 -22.080  -0.175  -2.707
  195   2HB   CYS  26          1HB       CYS  26 -21.459  -1.361  -1.567
  196    H    LYS  27           H        LYS  27 -20.906   2.081  -2.311
  197    HA   LYS  27           HA       LYS  27 -18.200   1.503  -1.946
  198   1HB   LYS  27          2HB       LYS  27 -19.329   2.738  -3.872
  199   2HB   LYS  27          1HB       LYS  27 -19.247   4.174  -2.858
  200   1HG   LYS  27          2HG       LYS  27 -16.967   4.331  -3.021
  201   2HG   LYS  27          1HG       LYS  27 -16.760   2.607  -3.329
  202   1HD   LYS  27          2HD       LYS  27 -17.678   2.881  -5.569
  203   2HD   LYS  27          1HD       LYS  27 -17.943   4.598  -5.263
  204   1HE   LYS  27          2HE       LYS  27 -15.281   3.181  -5.324
  205   2HE   LYS  27          1HE       LYS  27 -15.919   4.258  -6.566
  206   1HZ   LYS  27          1HZ       LYS  27 -15.967   5.548  -4.055
  207   2HZ   LYS  27          3HZ       LYS  27 -14.412   4.950  -4.349
  208   3HZ   LYS  27          2HZ       LYS  27 -15.142   5.995  -5.461
  209    H    LEU  28           H        LEU  28 -20.041   2.606   0.462
  210    HA   LEU  28           HA       LEU  28 -17.792   3.697   1.874
  211   1HB   LEU  28          2HB       LEU  28 -18.720   5.605   0.450
  212   2HB   LEU  28          1HB       LEU  28 -20.112   5.568   1.516
  213    HG   LEU  28           HG       LEU  28 -18.023   5.702   3.305
  214   1HD1  LEU  28          3HD1      LEU  28 -17.318   7.411   0.926
  215   2HD1  LEU  28          2HD1      LEU  28 -16.588   7.543   2.526
  216   3HD1  LEU  28          1HD1      LEU  28 -16.375   6.071   1.579
  217   1HD2  LEU  28          2HD2      LEU  28 -20.129   6.978   3.363
  218   2HD2  LEU  28          1HD2      LEU  28 -18.720   7.987   3.687
  219   3HD2  LEU  28          3HD2      LEU  28 -19.499   8.043   2.106
  220    H    ASP  29           H        ASP  29 -21.072   2.640   1.770
  221    HA   ASP  29           HA       ASP  29 -21.765   3.170   4.466
  222   1HB   ASP  29          2HB       ASP  29 -22.844   1.349   2.337
  223   2HB   ASP  29          1HB       ASP  29 -23.440   1.225   3.989
  224    H    LYS  30           H        LYS  30 -21.041   0.033   2.927
  225    HA   LYS  30           HA       LYS  30 -20.137  -0.967   5.536
  226   1HB   LYS  30          2HB       LYS  30 -20.857  -2.449   3.001
  227   2HB   LYS  30          1HB       LYS  30 -20.326  -3.207   4.497
  228   1HG   LYS  30          2HG       LYS  30 -22.353  -1.854   5.503
  229   2HG   LYS  30          1HG       LYS  30 -22.922  -1.922   3.834
  230   1HD   LYS  30          2HD       LYS  30 -22.763  -4.342   3.848
  231   2HD   LYS  30          1HD       LYS  30 -22.093  -4.310   5.482
  232   1HE   LYS  30          2HE       LYS  30 -24.822  -4.423   4.721
  233   2HE   LYS  30          1HE       LYS  30 -24.156  -4.308   6.350
  234   1HZ   LYS  30          1HZ       LYS  30 -24.131  -1.889   6.106
  235   2HZ   LYS  30          3HZ       LYS  30 -24.836  -2.028   4.574
  236   3HZ   LYS  30          2HZ       LYS  30 -25.692  -2.519   5.948
  237    H    HIS  31           H        HIS  31 -18.721   0.685   3.293
  238    HA   HIS  31           HA       HIS  31 -16.557   0.960   2.636
  239   1HB   HIS  31          2HB       HIS  31 -15.776  -1.479   4.213
  240   2HB   HIS  31          1HB       HIS  31 -14.822  -0.041   3.865
  241    HD1  HIS  31           HD1      HIS  31 -15.368  -1.218   6.754
  242    HD2  HIS  31           HD2      HIS  31 -17.346   1.988   5.000
  243    HE1  HIS  31           HE1      HIS  31 -16.277   0.138   8.666
  244    HE2  HIS  31           HE2      HIS  31 -17.414   2.108   7.584
  245    H    ALA  32           H        ALA  32 -18.326  -0.525   1.016
  246    HA   ALA  32           HA       ALA  32 -16.834  -2.803   0.017
  247   1HB   ALA  32          1HB       ALA  32 -19.436  -2.496   0.189
  248   2HB   ALA  32          3HB       ALA  32 -19.226  -1.742  -1.391
  249   3HB   ALA  32          2HB       ALA  32 -18.714  -3.410  -1.135
  250    H    ARG  33           H        ARG  33 -17.020  -2.845  -2.597
  251    HA   ARG  33           HA       ARG  33 -15.326  -0.617  -3.431
  252   1HB   ARG  33          2HB       ARG  33 -14.143  -2.305  -4.312
  253   2HB   ARG  33          1HB       ARG  33 -15.431  -3.448  -4.002
  254   1HG   ARG  33          2HG       ARG  33 -15.499  -1.645  -6.406
  255   2HG   ARG  33          1HG       ARG  33 -14.577  -3.139  -6.400
  256   1HD   ARG  33          2HD       ARG  33 -16.984  -4.009  -5.452
  257   2HD   ARG  33          1HD       ARG  33 -17.475  -2.738  -6.557
  258    HE   ARG  33           HE       ARG  33 -16.416  -5.285  -7.246
  259   1HH1  ARG  33          1HH2      ARG  33 -16.587  -1.958  -8.258
  260   2HH1  ARG  33          2HH2      ARG  33 -16.348  -2.322  -9.935
  261   1HH2  ARG  33          2HH1      ARG  33 -16.100  -5.774  -9.451
  262   2HH2  ARG  33          1HH1      ARG  33 -16.068  -4.489 -10.612
  263    H    SER  34           H        SER  34 -18.376  -2.197  -4.252
  264    HA   SER  34           HA       SER  34 -19.539   0.156  -5.226
  265   1HB   SER  34          2HB       SER  34 -19.400   0.110  -7.522
  266   2HB   SER  34          1HB       SER  34 -17.820  -0.558  -7.123
  267    HG   SER  34           HG       SER  34 -18.416  -2.244  -8.208
  268    H    GLY  35           H        GLY  35 -20.928  -1.489  -7.436
  269   1HA   GLY  35          2HA       GLY  35 -22.278  -3.584  -7.208
  270   2HA   GLY  35          1HA       GLY  35 -22.679  -3.015  -5.594
  271    H    GLU  36           H        GLU  36 -24.893  -3.231  -6.245
  272    HA   GLU  36           HA       GLU  36 -26.088  -0.805  -6.958
  273   1HB   GLU  36          2HB       GLU  36 -25.225  -2.256  -9.210
  274   2HB   GLU  36          1HB       GLU  36 -26.963  -2.509  -9.141
  275   1HG   GLU  36          2HG       GLU  36 -25.705   0.213  -8.987
  276   2HG   GLU  36          1HG       GLU  36 -26.162  -0.550 -10.508
  277    H    CYS  37           H        CYS  37 -28.537  -1.162  -7.404
  278    HA   CYS  37           HA       CYS  37 -29.428  -3.092  -5.425
  279   1HB   CYS  37          2HB       CYS  37 -30.288  -0.511  -6.286
  280   2HB   CYS  37          1HB       CYS  37 -31.631  -1.631  -6.496
  281    H    PHE  38           H        PHE  38 -30.512  -4.914  -5.803
  282    HA   PHE  38           HA       PHE  38 -31.831  -5.338  -8.361
  283   1HB   PHE  38          2HB       PHE  38 -29.581  -7.118  -7.402
  284   2HB   PHE  38          1HB       PHE  38 -30.644  -7.478  -8.759
  285    HD1  PHE  38           HD1      PHE  38 -30.757  -5.571 -10.583
  286    HD2  PHE  38           HD2      PHE  38 -27.556  -6.131  -7.836
  287    HE1  PHE  38           HE1      PHE  38 -29.253  -4.340 -12.091
  288    HE2  PHE  38           HE2      PHE  38 -26.045  -4.900  -9.340
  289    HZ   PHE  38           HZ       PHE  38 -26.893  -4.004 -11.471
  290    H    TYR  39           H        TYR  39 -32.402  -7.971  -8.246
  291    HA   TYR  39           HA       TYR  39 -34.162  -8.113  -5.933
  292   1HB   TYR  39          2HB       TYR  39 -34.044  -9.467  -8.589
  293   2HB   TYR  39          1HB       TYR  39 -34.905 -10.257  -7.275
  294    HD1  TYR  39           HD2      TYR  39 -34.663  -6.741  -8.545
  295    HD2  TYR  39           HD1      TYR  39 -37.176  -9.984  -7.417
  296    HE1  TYR  39           HE2      TYR  39 -36.645  -5.361  -9.010
  297    HE2  TYR  39           HE1      TYR  39 -39.164  -8.613  -7.880
  298    HH   TYR  39           HH       TYR  39 -39.852  -6.701  -9.030
  299    H    ASP  40           H        ASP  40 -34.129  -9.697  -4.392
  300    HA   ASP  40           HA       ASP  40 -31.654 -11.258  -4.227
  301   1HB   ASP  40          2HB       ASP  40 -31.877 -11.217  -1.912
  302   2HB   ASP  40          1HB       ASP  40 -32.545  -9.656  -2.378
  303    H    GLU  41           H        GLU  41 -31.911 -13.398  -3.011
  304    HA   GLU  41           HA       GLU  41 -33.462 -15.129  -4.596
  305   1HB   GLU  41          2HB       GLU  41 -31.311 -15.517  -3.088
  306   2HB   GLU  41          1HB       GLU  41 -32.515 -16.022  -1.911
  307   1HG   GLU  41          2HG       GLU  41 -33.413 -17.525  -3.796
  308   2HG   GLU  41          1HG       GLU  41 -31.855 -17.230  -4.566
  309    H    LYS  42           H        LYS  42 -35.150 -13.152  -3.422
  310    HA   LYS  42           HA       LYS  42 -37.077 -14.909  -2.117
  311   1HB   LYS  42          2HB       LYS  42 -35.733 -13.561  -0.402
  312   2HB   LYS  42          1HB       LYS  42 -36.524 -12.141  -1.055
  313   1HG   LYS  42          2HG       LYS  42 -37.652 -12.853   0.939
  314   2HG   LYS  42          1HG       LYS  42 -38.706 -13.081  -0.452
  315   1HD   LYS  42          2HD       LYS  42 -38.673 -14.944   1.265
  316   2HD   LYS  42          1HD       LYS  42 -38.421 -15.429  -0.407
  317   1HE   LYS  42          2HE       LYS  42 -36.906 -16.479   1.342
  318   2HE   LYS  42          1HE       LYS  42 -36.115 -15.771  -0.065
  319   1HZ   LYS  42          3HZ       LYS  42 -35.824 -13.722   1.342
  320   2HZ   LYS  42          2HZ       LYS  42 -36.300 -14.651   2.671
  321   3HZ   LYS  42          1HZ       LYS  42 -34.905 -15.065   1.809
  322    H    ARG  43           H        ARG  43 -36.439 -13.091  -4.634
  323    HA   ARG  43           HA       ARG  43 -37.638 -11.968  -6.202
  324   1HB   ARG  43          2HB       ARG  43 -39.771 -13.473  -4.727
  325   2HB   ARG  43          1HB       ARG  43 -40.240 -12.294  -5.941
  326   1HG   ARG  43          2HG       ARG  43 -39.997 -13.889  -7.489
  327   2HG   ARG  43          1HG       ARG  43 -38.264 -13.867  -7.173
  328   1HD   ARG  43          2HD       ARG  43 -40.279 -15.568  -5.713
  329   2HD   ARG  43          1HD       ARG  43 -39.232 -16.122  -7.017
  330    HE   ARG  43           HE       ARG  43 -38.351 -15.307  -4.332
  331   1HH1  ARG  43          1HH2      ARG  43 -37.729 -16.889  -7.382
  332   2HH1  ARG  43          2HH2      ARG  43 -36.250 -17.610  -6.845
  333   1HH2  ARG  43          2HH1      ARG  43 -36.407 -16.253  -3.630
  334   2HH2  ARG  43          1HH1      ARG  43 -35.498 -17.249  -4.719
  335    H    ASN  44           H        ASN  44 -36.692 -10.241  -4.592
  336    HA   ASN  44           HA       ASN  44 -38.834  -8.297  -4.214
  337   1HB   ASN  44          2HB       ASN  44 -36.837  -9.011  -2.051
  338   2HB   ASN  44          1HB       ASN  44 -37.929  -7.630  -1.995
  339   1HD2  ASN  44          2HD2      ASN  44 -40.234  -9.561  -0.313
  340   2HD2  ASN  44          1HD2      ASN  44 -39.282  -8.123  -0.404
  341    H    LEU  45           H        LEU  45 -36.586  -6.757  -2.672
  342    HA   LEU  45           HA       LEU  45 -34.680  -6.262  -4.781
  343   1HB   LEU  45          2HB       LEU  45 -36.375  -4.928  -5.683
  344   2HB   LEU  45          1HB       LEU  45 -36.850  -4.311  -4.110
  345    HG   LEU  45           HG       LEU  45 -34.720  -3.042  -3.997
  346   1HD1  LEU  45          2HD1      LEU  45 -34.316  -4.369  -6.642
  347   2HD1  LEU  45          1HD1      LEU  45 -33.621  -2.776  -6.338
  348   3HD1  LEU  45          3HD1      LEU  45 -33.178  -4.143  -5.314
  349   1HD2  LEU  45          3HD2      LEU  45 -36.957  -2.244  -5.073
  350   2HD2  LEU  45          2HD2      LEU  45 -35.497  -1.274  -5.260
  351   3HD2  LEU  45          1HD2      LEU  45 -36.038  -2.315  -6.577
  352    H    GLN  46           H        GLN  46 -32.777  -5.695  -3.954
  353    HA   GLN  46           HA       GLN  46 -32.654  -4.213  -1.449
  354   1HB   GLN  46          2HB       GLN  46 -31.794  -7.043  -1.804
  355   2HB   GLN  46          1HB       GLN  46 -30.744  -6.005  -0.853
  356   1HG   GLN  46          2HG       GLN  46 -32.069  -6.890   0.778
  357   2HG   GLN  46          1HG       GLN  46 -32.962  -5.416   0.411
  358   1HE2  GLN  46          2HE2      GLN  46 -34.463  -9.068  -0.651
  359   2HE2  GLN  46          1HE2      GLN  46 -32.774  -8.856  -0.355
  360    H    CYS  47           H        CYS  47 -30.225  -3.888  -0.867
  361    HA   CYS  47           HA       CYS  47 -28.957  -2.800  -3.260
  362   1HB   CYS  47          2HB       CYS  47 -29.160  -2.003  -0.491
  363   2HB   CYS  47          1HB       CYS  47 -27.472  -2.036  -0.992
  364    H    ILE  48           H        ILE  48 -27.727  -4.302  -4.261
  365    HA   ILE  48           HA       ILE  48 -26.179  -6.224  -2.752
  366    HB   ILE  48           HB       ILE  48 -26.273  -5.709  -5.727
  367   1HG1  ILE  48          2HG1      ILE  48 -28.357  -6.579  -4.415
  368   2HG1  ILE  48          1HG1      ILE  48 -27.872  -7.390  -5.902
  369   1HG2  ILE  48          3HG2      ILE  48 -24.820  -7.708  -4.052
  370   2HG2  ILE  48          2HG2      ILE  48 -25.345  -8.139  -5.681
  371   3HG2  ILE  48          1HG2      ILE  48 -24.249  -6.780  -5.438
  372   1HD1  ILE  48          2HD1      ILE  48 -27.035  -8.324  -3.174
  373   2HD1  ILE  48          1HD1      ILE  48 -28.492  -8.887  -3.992
  374   3HD1  ILE  48          3HD1      ILE  48 -26.908  -9.188  -4.706
  375    H    CYS  49           H        CYS  49 -24.311  -5.648  -1.847
  376    HA   CYS  49           HA       CYS  49 -22.722  -3.500  -3.040
  377   1HB   CYS  49          2HB       CYS  49 -22.435  -4.910  -0.379
  378   2HB   CYS  49          1HB       CYS  49 -21.451  -3.557  -0.922
  379    H    ASP  50           H        ASP  50 -20.961  -3.882  -4.204
  380    HA   ASP  50           HA       ASP  50 -19.884  -6.598  -4.333
  381   1HB   ASP  50          2HB       ASP  50 -20.466  -5.415  -6.450
  382   2HB   ASP  50          1HB       ASP  50 -19.246  -4.202  -6.075
  383    H    TYR  51           H        TYR  51 -17.817  -7.120  -3.916
  384    HA   TYR  51           HA       TYR  51 -16.110  -5.080  -2.642
  385   1HB   TYR  51          2HB       TYR  51 -16.554  -7.925  -1.785
  386   2HB   TYR  51          1HB       TYR  51 -15.452  -6.794  -1.009
  387    HD1  TYR  51           HD2      TYR  51 -16.336  -4.975   0.369
  388    HD2  TYR  51           HD1      TYR  51 -18.927  -7.820  -1.440
  389    HE1  TYR  51           HE2      TYR  51 -18.159  -4.248   1.854
  390    HE2  TYR  51           HE1      TYR  51 -20.756  -7.115   0.042
  391    HH   TYR  51           HH       TYR  51 -20.222  -4.834   2.658
  392    H    CYS  52           H        CYS  52 -16.040  -6.181  -5.394
  393    HA   CYS  52           HA       CYS  52 -13.680  -7.903  -5.344
  394   1HB   CYS  52          2HB       CYS  52 -15.921  -7.625  -7.079
  395   2HB   CYS  52          1HB       CYS  52 -14.475  -7.282  -8.023
  396    H    GLU  53           H        GLU  53 -14.420  -5.391  -7.726
  397    HA   GLU  53           HA       GLU  53 -13.278  -3.442  -8.243
  398   1HB   GLU  53          2HB       GLU  53 -12.477  -3.665  -5.711
  399   2HB   GLU  53          1HB       GLU  53 -10.963  -4.118  -6.478
  400   1HG   GLU  53          2HG       GLU  53 -12.414  -1.604  -7.228
  401   2HG   GLU  53          1HG       GLU  53 -11.312  -1.671  -5.856
  402    H    TYR  54           HN       TYR  54 -10.796  -5.859  -7.412
  403    HA   TYR  54           HA       TYR  54  -8.980  -6.557  -8.645
  404   1HB   TYR  54          2HB       TYR  54 -11.424  -7.213 -10.276
  405   2HB   TYR  54          1HB       TYR  54  -9.821  -7.714 -10.802
  406    HD1  TYR  54           HD2      TYR  54 -11.444  -7.660  -7.428
  407    HD2  TYR  54           HD1      TYR  54  -9.620  -9.993 -10.484
  408    HE1  TYR  54           HE2      TYR  54 -11.594  -9.648  -5.993
  409    HE2  TYR  54           HE1      TYR  54  -9.768 -11.988  -9.055
  410    HH   TYR  54           HH       TYR  54 -11.516 -11.960  -6.032
   
  No H/Q in entry =         410
  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1 -14.062 -10.217   3.576
    2    HA   PCA   1           HA       PCA   1 -11.500 -10.302   3.557
    3   1HB   PCA   1          1HB       PCA   1 -10.549 -11.852   4.906
    4   2HB   PCA   1          2HB       PCA   1 -11.374 -13.171   4.042
    5   1HG   PCA   1          1HG       PCA   1 -12.098 -11.903   6.570
    6   2HG   PCA   1          2HG       PCA   1 -12.830 -13.320   5.794
    7    H    ASP   2           H        ASP   2 -14.130 -12.161   2.411
    8    HA   ASP   2           HA       ASP   2 -12.840 -12.420  -0.207
    9   1HB   ASP   2          2HB       ASP   2 -14.013 -14.695  -0.407
   10   2HB   ASP   2          1HB       ASP   2 -12.563 -14.625   0.588
   11    H    LYS   3           H        LYS   3 -15.656 -14.167  -0.150
   12    HA   LYS   3           HA       LYS   3 -17.497 -13.697  -1.539
   13   1HB   LYS   3          2HB       LYS   3 -17.927 -12.153   1.023
   14   2HB   LYS   3          1HB       LYS   3 -19.201 -12.622  -0.096
   15   1HG   LYS   3          2HG       LYS   3 -19.106 -14.832   0.502
   16   2HG   LYS   3          1HG       LYS   3 -17.421 -14.733   1.012
   17   1HD   LYS   3          2HD       LYS   3 -18.066 -13.491   2.997
   18   2HD   LYS   3          1HD       LYS   3 -19.751 -13.491   2.473
   19   1HE   LYS   3          2HE       LYS   3 -19.768 -15.948   2.598
   20   2HE   LYS   3          1HE       LYS   3 -18.102 -15.917   3.172
   21   1HZ   LYS   3          1HZ       LYS   3 -19.969 -14.276   4.663
   22   2HZ   LYS   3          3HZ       LYS   3 -20.219 -15.945   4.783
   23   3HZ   LYS   3          2HZ       LYS   3 -18.726 -15.279   5.219
   24    H    CYS   4           H        CYS   4 -16.573 -12.447  -3.251
   25    HA   CYS   4           HA       CYS   4 -16.214  -9.662  -3.113
   26   1HB   CYS   4          2HB       CYS   4 -16.592 -11.551  -5.425
   27   2HB   CYS   4          1HB       CYS   4 -16.356  -9.821  -5.661
   28    H    LYS   5           H        LYS   5 -18.964 -11.177  -2.595
   29    HA   LYS   5           HA       LYS   5 -20.594  -8.952  -3.588
   30   1HB   LYS   5          2HB       LYS   5 -20.659 -11.493  -4.736
   31   2HB   LYS   5          1HB       LYS   5 -22.041 -11.496  -3.653
   32   1HG   LYS   5          2HG       LYS   5 -22.995 -10.699  -5.564
   33   2HG   LYS   5          1HG       LYS   5 -22.541  -9.185  -4.780
   34   1HD   LYS   5          2HD       LYS   5 -20.552  -9.029  -6.131
   35   2HD   LYS   5          1HD       LYS   5 -20.857 -10.618  -6.832
   36   1HE   LYS   5          2HE       LYS   5 -23.181  -9.397  -7.440
   37   2HE   LYS   5          1HE       LYS   5 -22.099  -8.004  -7.442
   38   1HZ   LYS   5          1HZ       LYS   5 -21.335 -10.442  -8.899
   39   2HZ   LYS   5          3HZ       LYS   5 -22.443  -9.369  -9.593
   40   3HZ   LYS   5          2HZ       LYS   5 -20.888  -8.837  -9.192
   41    H    LYS   6           H        LYS   6 -21.831  -8.115  -1.987
   42    HA   LYS   6           HA       LYS   6 -22.748  -9.868   0.169
   43   1HB   LYS   6          2HB       LYS   6 -21.137  -7.355   0.650
   44   2HB   LYS   6          1HB       LYS   6 -21.985  -8.261   1.897
   45   1HG   LYS   6          2HG       LYS   6 -20.517 -10.243   0.870
   46   2HG   LYS   6          1HG       LYS   6 -19.467  -8.886   0.473
   47   1HD   LYS   6          2HD       LYS   6 -18.775  -9.692   2.596
   48   2HD   LYS   6          1HD       LYS   6 -19.639  -8.182   2.883
   49   1HE   LYS   6          2HE       LYS   6 -21.278 -10.644   2.966
   50   2HE   LYS   6          1HE       LYS   6 -20.098 -10.458   4.263
   51   1HZ   LYS   6          1HZ       LYS   6 -21.218  -8.020   4.167
   52   2HZ   LYS   6          3HZ       LYS   6 -22.538  -9.001   3.769
   53   3HZ   LYS   6          2HZ       LYS   6 -21.700  -9.255   5.217
   54    H    VAL   7           H        VAL   7 -24.863  -9.614   0.101
   55    HA   VAL   7           HA       VAL   7 -26.159  -7.289  -0.853
   56    HB   VAL   7           HB       VAL   7 -28.197  -8.352  -0.501
   57   1HG1  VAL   7          1HG1      VAL   7 -26.456  -9.551  -1.992
   58   2HG1  VAL   7          3HG1      VAL   7 -26.479 -10.781  -0.727
   59   3HG1  VAL   7          2HG1      VAL   7 -27.963 -10.372  -1.587
   60   1HG2  VAL   7          3HG2      VAL   7 -26.798  -9.838   1.694
   61   2HG2  VAL   7          2HG2      VAL   7 -28.247  -8.835   1.776
   62   3HG2  VAL   7          1HG2      VAL   7 -28.315 -10.420   1.007
   63    H    TYR   8           H        TYR   8 -27.298  -5.696   0.158
   64    HA   TYR   8           HA       TYR   8 -26.560  -5.206   2.936
   65   1HB   TYR   8          2HB       TYR   8 -26.519  -3.446   1.008
   66   2HB   TYR   8          1HB       TYR   8 -28.257  -3.369   1.261
   67    HD1  TYR   8           HD1      TYR   8 -27.670  -3.925   4.430
   68    HD2  TYR   8           HD2      TYR   8 -26.479  -1.021   1.550
   69    HE1  TYR   8           HE1      TYR   8 -27.319  -2.296   6.224
   70    HE2  TYR   8           HE2      TYR   8 -26.126   0.617   3.347
   71    HH   TYR   8           HH       TYR   8 -27.188   0.070   6.570
   72    H    GLU   9           H        GLU   9 -27.923  -7.112   3.510
   73    HA   GLU   9           HA       GLU   9 -30.698  -7.138   3.164
   74   1HB   GLU   9          2HB       GLU   9 -30.701  -8.706   5.115
   75   2HB   GLU   9          1HB       GLU   9 -29.608  -9.150   3.814
   76   1HG   GLU   9          2HG       GLU   9 -27.869  -7.819   5.263
   77   2HG   GLU   9          1HG       GLU   9 -29.004  -8.192   6.561
   78    H    ASN  10           H        ASN  10 -30.993  -4.803   3.570
   79    HA   ASN  10           HA       ASN  10 -32.462  -4.321   5.878
   80   1HB   ASN  10          2HB       ASN  10 -30.050  -4.318   6.846
   81   2HB   ASN  10          1HB       ASN  10 -29.881  -2.770   6.038
   82   1HD2  ASN  10          2HD2      ASN  10 -33.031  -2.119   8.273
   83   2HD2  ASN  10          1HD2      ASN  10 -33.015  -2.848   6.706
   84    H    TYR  11           H        TYR  11 -30.110  -2.076   4.482
   85    HA   TYR  11           HA       TYR  11 -30.912   0.183   3.992
   86   1HB   TYR  11          2HB       TYR  11 -29.439  -1.147   2.367
   87   2HB   TYR  11          1HB       TYR  11 -30.899  -1.332   1.402
   88    HD1  TYR  11           HD1      TYR  11 -28.472   1.101   2.739
   89    HD2  TYR  11           HD2      TYR  11 -31.778   0.491   0.127
   90    HE1  TYR  11           HE1      TYR  11 -28.068   3.303   1.721
   91    HE2  TYR  11           HE2      TYR  11 -31.380   2.691  -0.896
   92    HH   TYR  11           HH       TYR  11 -29.445   4.267  -1.178
   93    HA   PRO  12           HA       PRO  12 -35.452   0.231   3.797
   94   1HB   PRO  12          2HB       PRO  12 -34.750   2.957   2.772
   95   2HB   PRO  12          1HB       PRO  12 -35.994   2.481   3.937
   96   1HG   PRO  12          2HG       PRO  12 -33.700   3.554   4.758
   97   2HG   PRO  12          1HG       PRO  12 -34.469   2.239   5.664
   98   1HD   PRO  12          2HD       PRO  12 -32.050   2.187   3.943
   99   2HD   PRO  12          1HD       PRO  12 -32.463   1.180   5.345
  100    H    VAL  13           H        VAL  13 -35.806  -1.171   2.070
  101    HA   VAL  13           HA       VAL  13 -35.047  -0.824  -0.574
  102    HB   VAL  13           HB       VAL  13 -37.719  -2.020   0.022
  103   1HG1  VAL  13          3HG1      VAL  13 -36.466  -1.921  -2.258
  104   2HG1  VAL  13          2HG1      VAL  13 -35.536  -3.262  -1.590
  105   3HG1  VAL  13          1HG1      VAL  13 -37.284  -3.404  -1.768
  106   1HG2  VAL  13          1HG2      VAL  13 -35.065  -3.120   0.911
  107   2HG2  VAL  13          3HG2      VAL  13 -36.509  -2.837   1.882
  108   3HG2  VAL  13          2HG2      VAL  13 -36.494  -4.130   0.684
  109    H    SER  14           H        SER  14 -35.288   1.356  -1.142
  110    HA   SER  14           HA       SER  14 -37.649   2.005  -2.511
  111   1HB   SER  14          2HB       SER  14 -38.090   4.122  -0.986
  112   2HB   SER  14          1HB       SER  14 -38.836   2.570  -0.608
  113    HG   SER  14           HG       SER  14 -37.809   2.624   1.211
  114    H    LYS  15           H        LYS  15 -37.313   3.642  -3.933
  115    HA   LYS  15           HA       LYS  15 -36.338   5.456  -4.934
  116   1HB   LYS  15          2HB       LYS  15 -34.134   5.536  -2.897
  117   2HB   LYS  15          1HB       LYS  15 -34.811   6.846  -3.853
  118   1HG   LYS  15          2HG       LYS  15 -36.965   5.960  -2.344
  119   2HG   LYS  15          1HG       LYS  15 -35.606   5.871  -1.226
  120   1HD   LYS  15          2HD       LYS  15 -36.405   8.033  -0.927
  121   2HD   LYS  15          1HD       LYS  15 -35.059   8.255  -2.044
  122   1HE   LYS  15          2HE       LYS  15 -36.946   9.562  -2.789
  123   2HE   LYS  15          1HE       LYS  15 -36.659   8.244  -3.925
  124   1HZ   LYS  15          3HZ       LYS  15 -38.518   7.617  -1.806
  125   2HZ   LYS  15          2HZ       LYS  15 -39.047   8.836  -2.851
  126   3HZ   LYS  15          1HZ       LYS  15 -38.629   7.318  -3.467
  127    H    CYS  16           H        CYS  16 -35.356   2.457  -4.728
  128    HA   CYS  16           HA       CYS  16 -32.676   2.489  -5.665
  129   1HB   CYS  16          2HB       CYS  16 -34.669   0.518  -5.046
  130   2HB   CYS  16          1HB       CYS  16 -33.985   0.143  -6.620
  131    H    GLN  17           H        GLN  17 -34.759   4.176  -7.100
  132    HA   GLN  17           HA       GLN  17 -34.667   3.028  -9.782
  133   1HB   GLN  17          2HB       GLN  17 -36.104   5.393  -8.596
  134   2HB   GLN  17          1HB       GLN  17 -36.070   5.083 -10.326
  135   1HG   GLN  17          2HG       GLN  17 -38.095   4.198  -9.498
  136   2HG   GLN  17          1HG       GLN  17 -37.042   2.830  -9.854
  137   1HE2  GLN  17          2HE2      GLN  17 -38.284   3.597  -6.067
  138   2HE2  GLN  17          1HE2      GLN  17 -38.573   4.702  -7.363
  139    H    LEU  18           H        LEU  18 -32.360   4.313  -8.218
  140    HA   LEU  18           HA       LEU  18 -31.119   5.545 -10.449
  141   1HB   LEU  18          2HB       LEU  18 -32.485   7.227  -8.507
  142   2HB   LEU  18          1HB       LEU  18 -30.786   7.639  -8.641
  143    HG   LEU  18           HG       LEU  18 -32.551   7.382 -11.043
  144   1HD1  LEU  18          3HD1      LEU  18 -32.242   9.656  -9.143
  145   2HD1  LEU  18          2HD1      LEU  18 -32.445   9.985 -10.863
  146   3HD1  LEU  18          1HD1      LEU  18 -33.680   9.081  -9.988
  147   1HD2  LEU  18          3HD2      LEU  18 -29.950   7.395 -11.065
  148   2HD2  LEU  18          2HD2      LEU  18 -30.839   8.390 -12.217
  149   3HD2  LEU  18          1HD2      LEU  18 -30.143   9.122 -10.772
  150    H    ALA  19           H        ALA  19 -28.900   5.772 -10.201
  151    HA   ALA  19           HA       ALA  19 -27.619   4.042  -8.436
  152   1HB   ALA  19          3HB       ALA  19 -26.825   5.256 -10.650
  153   2HB   ALA  19          2HB       ALA  19 -26.098   6.368  -9.491
  154   3HB   ALA  19          1HB       ALA  19 -25.672   4.657  -9.458
  155    H    ASN  20           H        ASN  20 -25.623   5.024  -7.130
  156    HA   ASN  20           HA       ASN  20 -24.873   6.258  -5.369
  157   1HB   ASN  20          2HB       ASN  20 -26.422   8.096  -6.614
  158   2HB   ASN  20          1HB       ASN  20 -27.289   7.951  -5.090
  159   1HD2  ASN  20          2HD2      ASN  20 -24.658   9.303  -3.134
  160   2HD2  ASN  20          1HD2      ASN  20 -25.948   8.154  -3.116
  161    H    GLN  21           H        GLN  21 -28.405   6.370  -4.892
  162    HA   GLN  21           HA       GLN  21 -28.369   5.640  -2.211
  163   1HB   GLN  21          2HB       GLN  21 -30.470   5.381  -4.350
  164   2HB   GLN  21          1HB       GLN  21 -30.773   4.833  -2.708
  165   1HG   GLN  21          2HG       GLN  21 -31.590   7.135  -3.253
  166   2HG   GLN  21          1HG       GLN  21 -30.547   7.016  -1.835
  167   1HE2  GLN  21          2HE2      GLN  21 -27.880   8.834  -3.258
  168   2HE2  GLN  21          1HE2      GLN  21 -28.301   7.621  -2.102
  169    H    CYS  22           H        CYS  22 -26.722   4.024  -2.250
  170    HA   CYS  22           HA       CYS  22 -26.800   1.696  -1.409
  171   1HB   CYS  22          2HB       CYS  22 -28.078   1.273  -4.122
  172   2HB   CYS  22          1HB       CYS  22 -27.351  -0.021  -3.191
  173    H    ASN  23           H        ASN  23 -26.197   2.588  -4.801
  174    HA   ASN  23           HA       ASN  23 -23.843   1.145  -5.172
  175   1HB   ASN  23          2HB       ASN  23 -25.272   2.558  -6.847
  176   2HB   ASN  23          1HB       ASN  23 -24.211   3.879  -6.368
  177   1HD2  ASN  23          2HD2      ASN  23 -22.013   2.959  -8.857
  178   2HD2  ASN  23          1HD2      ASN  23 -22.990   4.173  -8.110
  179    H    TYR  24           H        TYR  24 -24.253   4.551  -4.222
  180    HA   TYR  24           HA       TYR  24 -21.577   5.131  -3.704
  181   1HB   TYR  24          2HB       TYR  24 -22.768   7.077  -3.639
  182   2HB   TYR  24          1HB       TYR  24 -24.199   6.296  -2.975
  183    HD1  TYR  24           HD2      TYR  24 -20.705   6.653  -1.688
  184    HD2  TYR  24           HD1      TYR  24 -24.843   7.412  -1.066
  185    HE1  TYR  24           HE2      TYR  24 -20.193   7.593   0.526
  186    HE2  TYR  24           HE1      TYR  24 -24.346   8.350   1.149
  187    HH   TYR  24           HH       TYR  24 -22.565   9.278   2.400
  188    H    ASP  25           H        ASP  25 -24.127   4.116  -1.422
  189    HA   ASP  25           HA       ASP  25 -22.677   3.977   0.895
  190   1HB   ASP  25          2HB       ASP  25 -24.950   2.343  -0.170
  191   2HB   ASP  25          1HB       ASP  25 -24.180   1.855   1.336
  192    H    CYS  26           H        CYS  26 -22.996   1.393  -1.541
  193    HA   CYS  26           HA       CYS  26 -21.219  -0.390  -0.309
  194   1HB   CYS  26          2HB       CYS  26 -21.702  -0.076  -3.286
  195   2HB   CYS  26          1HB       CYS  26 -21.083  -1.506  -2.472
  196    H    LYS  27           H        LYS  27 -20.752   2.192  -2.665
  197    HA   LYS  27           HA       LYS  27 -18.015   1.878  -3.158
  198   1HB   LYS  27          2HB       LYS  27 -19.798   3.450  -4.249
  199   2HB   LYS  27          1HB       LYS  27 -19.303   4.586  -3.004
  200   1HG   LYS  27          2HG       LYS  27 -17.976   5.191  -4.790
  201   2HG   LYS  27          1HG       LYS  27 -16.908   4.139  -3.861
  202   1HD   LYS  27          2HD       LYS  27 -17.156   2.365  -5.376
  203   2HD   LYS  27          1HD       LYS  27 -18.593   3.075  -6.112
  204   1HE   LYS  27          2HE       LYS  27 -17.381   4.574  -7.360
  205   2HE   LYS  27          1HE       LYS  27 -16.023   4.577  -6.236
  206   1HZ   LYS  27          2HZ       LYS  27 -15.839   2.104  -7.037
  207   2HZ   LYS  27          1HZ       LYS  27 -16.642   2.701  -8.401
  208   3HZ   LYS  27          3HZ       LYS  27 -15.154   3.361  -7.938
  209    H    LEU  28           H        LEU  28 -19.342   2.203  -0.251
  210    HA   LEU  28           HA       LEU  28 -16.925   3.036   1.022
  211   1HB   LEU  28          2HB       LEU  28 -18.139   5.188   0.332
  212   2HB   LEU  28          1HB       LEU  28 -19.338   4.759   1.537
  213    HG   LEU  28           HG       LEU  28 -17.235   4.628   3.123
  214   1HD1  LEU  28          1HD1      LEU  28 -15.680   5.021   1.192
  215   2HD1  LEU  28          3HD1      LEU  28 -16.307   6.668   1.117
  216   3HD1  LEU  28          2HD1      LEU  28 -15.469   6.109   2.564
  217   1HD2  LEU  28          3HD2      LEU  28 -18.641   7.116   2.188
  218   2HD2  LEU  28          2HD2      LEU  28 -18.998   6.124   3.602
  219   3HD2  LEU  28          1HD2      LEU  28 -17.532   7.104   3.559
  220    H    ASP  29           H        ASP  29 -19.214   4.000   3.111
  221    HA   ASP  29           HA       ASP  29 -19.837   3.044   5.112
  222   1HB   ASP  29          2HB       ASP  29 -21.241   1.272   3.104
  223   2HB   ASP  29          1HB       ASP  29 -21.700   1.461   4.794
  224    H    LYS  30           H        LYS  30 -19.873   0.019   3.267
  225    HA   LYS  30           HA       LYS  30 -18.288  -1.229   5.379
  226   1HB   LYS  30          2HB       LYS  30 -19.592  -2.555   3.000
  227   2HB   LYS  30          1HB       LYS  30 -18.979  -3.336   4.450
  228   1HG   LYS  30          2HG       LYS  30 -21.103  -3.268   5.169
  229   2HG   LYS  30          1HG       LYS  30 -20.787  -1.562   5.489
  230   1HD   LYS  30          2HD       LYS  30 -21.655  -0.987   3.274
  231   2HD   LYS  30          1HD       LYS  30 -21.956  -2.696   2.947
  232   1HE   LYS  30          2HE       LYS  30 -24.036  -1.855   3.614
  233   2HE   LYS  30          1HE       LYS  30 -23.405  -2.658   5.051
  234   1HZ   LYS  30          2HZ       LYS  30 -22.486  -0.244   5.498
  235   2HZ   LYS  30          1HZ       LYS  30 -23.809   0.190   4.537
  236   3HZ   LYS  30          3HZ       LYS  30 -24.049  -0.699   5.958
  237    H    HIS  31           H        HIS  31 -17.345   0.547   3.030
  238    HA   HIS  31           HA       HIS  31 -15.469   0.756   1.775
  239   1HB   HIS  31          2HB       HIS  31 -14.510  -1.721   3.215
  240   2HB   HIS  31          1HB       HIS  31 -13.514  -0.538   2.375
  241    HD1  HIS  31           HD1      HIS  31 -13.795  -1.434   5.589
  242    HD2  HIS  31           HD2      HIS  31 -14.647   2.192   3.747
  243    HE1  HIS  31           HE1      HIS  31 -13.660   0.296   7.411
  244    HE2  HIS  31           HE2      HIS  31 -14.119   2.490   6.261
  245    H    ALA  32           H        ALA  32 -17.495  -0.370   0.375
  246    HA   ALA  32           HA       ALA  32 -16.478  -2.776  -0.925
  247   1HB   ALA  32          2HB       ALA  32 -19.040  -1.877  -0.399
  248   2HB   ALA  32          1HB       ALA  32 -18.856  -1.587  -2.128
  249   3HB   ALA  32          3HB       ALA  32 -18.613  -3.205  -1.476
  250    H    ARG  33           H        ARG  33 -17.172  -2.540  -3.497
  251    HA   ARG  33           HA       ARG  33 -15.539  -0.282  -4.477
  252   1HB   ARG  33          2HB       ARG  33 -15.865  -3.082  -5.552
  253   2HB   ARG  33          1HB       ARG  33 -15.096  -1.783  -6.454
  254   1HG   ARG  33          2HG       ARG  33 -13.660  -1.591  -4.238
  255   2HG   ARG  33          1HG       ARG  33 -14.125  -3.286  -4.087
  256   1HD   ARG  33          2HD       ARG  33 -12.155  -3.446  -5.272
  257   2HD   ARG  33          1HD       ARG  33 -13.350  -3.433  -6.569
  258    HE   ARG  33           HE       ARG  33 -12.439  -0.806  -5.943
  259   1HH1  ARG  33          1HH2      ARG  33 -11.596  -3.724  -7.651
  260   2HH1  ARG  33          2HH2      ARG  33 -10.569  -2.915  -8.787
  261   1HH2  ARG  33          2HH1      ARG  33 -11.095   0.269  -7.437
  262   2HH2  ARG  33          1HH1      ARG  33 -10.285  -0.643  -8.666
  263    H    SER  34           H        SER  34 -18.476  -2.141  -4.882
  264    HA   SER  34           HA       SER  34 -19.763   0.025  -6.218
  265   1HB   SER  34          2HB       SER  34 -20.312  -1.290  -8.306
  266   2HB   SER  34          1HB       SER  34 -18.636  -0.755  -8.184
  267    HG   SER  34           HG       SER  34 -18.585  -2.883  -8.773
  268    H    GLY  35           H        GLY  35 -21.879  -1.251  -7.402
  269   1HA   GLY  35          2HA       GLY  35 -23.072  -3.421  -6.309
  270   2HA   GLY  35          1HA       GLY  35 -23.307  -2.191  -5.076
  271    H    GLU  36           H        GLU  36 -25.555  -3.173  -6.012
  272    HA   GLU  36           HA       GLU  36 -26.921  -0.975  -7.100
  273   1HB   GLU  36          2HB       GLU  36 -25.576  -2.108  -9.108
  274   2HB   GLU  36          1HB       GLU  36 -26.978  -3.166  -9.119
  275   1HG   GLU  36          2HG       GLU  36 -28.450  -1.357  -9.547
  276   2HG   GLU  36          1HG       GLU  36 -27.182  -0.171  -9.236
  277    H    CYS  37           H        CYS  37 -29.164  -1.728  -7.956
  278    HA   CYS  37           HA       CYS  37 -30.256  -3.452  -5.895
  279   1HB   CYS  37          2HB       CYS  37 -31.819  -2.029  -8.028
  280   2HB   CYS  37          1HB       CYS  37 -32.343  -2.478  -6.407
  281    H    PHE  38           H        PHE  38 -31.176  -5.439  -6.219
  282    HA   PHE  38           HA       PHE  38 -31.566  -6.386  -8.964
  283   1HB   PHE  38          2HB       PHE  38 -29.816  -7.760  -6.918
  284   2HB   PHE  38          1HB       PHE  38 -30.372  -8.517  -8.407
  285    HD1  PHE  38           HD2      PHE  38 -29.486  -7.845 -10.552
  286    HD2  PHE  38           HD1      PHE  38 -28.130  -6.027  -6.951
  287    HE1  PHE  38           HE2      PHE  38 -27.557  -6.906 -11.754
  288    HE2  PHE  38           HE1      PHE  38 -26.198  -5.087  -8.146
  289    HZ   PHE  38           HZ       PHE  38 -25.909  -5.525 -10.552
  290    H    TYR  39           H        TYR  39 -33.341  -7.586  -9.201
  291    HA   TYR  39           HA       TYR  39 -35.090  -8.013  -6.992
  292   1HB   TYR  39          2HB       TYR  39 -35.205  -8.411  -9.924
  293   2HB   TYR  39          1HB       TYR  39 -36.300  -9.391  -8.951
  294    HD1  TYR  39           HD2      TYR  39 -35.361  -5.932  -9.831
  295    HD2  TYR  39           HD1      TYR  39 -38.191  -8.430  -7.873
  296    HE1  TYR  39           HE2      TYR  39 -36.910  -4.029  -9.655
  297    HE2  TYR  39           HE1      TYR  39 -39.747  -6.535  -7.690
  298    HH   TYR  39           HH       TYR  39 -40.194  -4.429  -8.521
  299    H    ASP  40           H        ASP  40 -36.177 -10.155  -6.639
  300    HA   ASP  40           HA       ASP  40 -34.373 -12.437  -6.974
  301   1HB   ASP  40          2HB       ASP  40 -35.041 -13.006  -4.500
  302   2HB   ASP  40          1HB       ASP  40 -33.700 -11.911  -4.824
  303    H    GLU  41           H        GLU  41 -35.565 -14.439  -5.888
  304    HA   GLU  41           HA       GLU  41 -37.823 -14.930  -7.478
  305   1HB   GLU  41          2HB       GLU  41 -37.183 -16.508  -5.002
  306   2HB   GLU  41          1HB       GLU  41 -37.871 -17.074  -6.518
  307   1HG   GLU  41          2HG       GLU  41 -35.559 -16.277  -7.482
  308   2HG   GLU  41          1HG       GLU  41 -35.043 -16.502  -5.811
  309    H    LYS  42           H        LYS  42 -37.548 -13.307  -4.517
  310    HA   LYS  42           HA       LYS  42 -40.317 -13.846  -3.739
  311   1HB   LYS  42          2HB       LYS  42 -38.195 -12.201  -2.351
  312   2HB   LYS  42          1HB       LYS  42 -39.784 -12.585  -1.706
  313   1HG   LYS  42          2HG       LYS  42 -38.660 -14.245  -0.668
  314   2HG   LYS  42          1HG       LYS  42 -38.884 -15.072  -2.211
  315   1HD   LYS  42          2HD       LYS  42 -36.643 -13.925  -2.854
  316   2HD   LYS  42          1HD       LYS  42 -36.442 -13.735  -1.112
  317   1HE   LYS  42          2HE       LYS  42 -37.109 -16.316  -1.162
  318   2HE   LYS  42          1HE       LYS  42 -36.415 -16.191  -2.778
  319   1HZ   LYS  42          1HZ       LYS  42 -34.874 -15.007  -0.613
  320   2HZ   LYS  42          3HZ       LYS  42 -34.974 -16.696  -0.616
  321   3HZ   LYS  42          2HZ       LYS  42 -34.350 -15.884  -1.962
  322    H    ARG  43           H        ARG  43 -38.957 -11.945  -5.926
  323    HA   ARG  43           HA       ARG  43 -39.562 -10.040  -7.006
  324   1HB   ARG  43          2HB       ARG  43 -41.880 -11.146  -6.493
  325   2HB   ARG  43          1HB       ARG  43 -42.047  -9.824  -5.345
  326   1HG   ARG  43          2HG       ARG  43 -41.852  -8.197  -7.087
  327   2HG   ARG  43          1HG       ARG  43 -41.446  -9.441  -8.269
  328   1HD   ARG  43          2HD       ARG  43 -43.664  -9.167  -8.741
  329   2HD   ARG  43          1HD       ARG  43 -43.778 -10.425  -7.513
  330    HE   ARG  43           HE       ARG  43 -43.909  -7.802  -6.391
  331   1HH1  ARG  43          1HH2      ARG  43 -45.759 -10.265  -8.016
  332   2HH1  ARG  43          2HH2      ARG  43 -47.276  -9.745  -7.361
  333   1HH2  ARG  43          2HH1      ARG  43 -45.905  -7.107  -5.520
  334   2HH2  ARG  43          1HH1      ARG  43 -47.359  -7.944  -5.948
  335    H    ASN  44           H        ASN  44 -37.740  -9.564  -5.183
  336    HA   ASN  44           HA       ASN  44 -38.476  -6.938  -4.146
  337   1HB   ASN  44          2HB       ASN  44 -37.711  -9.275  -2.486
  338   2HB   ASN  44          1HB       ASN  44 -36.942  -7.746  -2.069
  339   1HD2  ASN  44          2HD2      ASN  44 -40.685  -8.490  -0.947
  340   2HD2  ASN  44          1HD2      ASN  44 -39.620  -9.666  -1.632
  341    H    LEU  45           H        LEU  45 -36.884  -5.463  -4.361
  342    HA   LEU  45           HA       LEU  45 -34.451  -6.339  -5.686
  343   1HB   LEU  45          2HB       LEU  45 -34.139  -3.781  -5.873
  344   2HB   LEU  45          1HB       LEU  45 -35.315  -4.595  -6.885
  345    HG   LEU  45           HG       LEU  45 -36.059  -3.231  -4.300
  346   1HD1  LEU  45          2HD1      LEU  45 -35.048  -1.827  -6.358
  347   2HD1  LEU  45          1HD1      LEU  45 -36.727  -1.937  -6.873
  348   3HD1  LEU  45          3HD1      LEU  45 -36.328  -1.226  -5.310
  349   1HD2  LEU  45          3HD2      LEU  45 -37.483  -4.913  -6.127
  350   2HD2  LEU  45          2HD2      LEU  45 -38.067  -4.122  -4.662
  351   3HD2  LEU  45          1HD2      LEU  45 -38.165  -3.288  -6.209
  352    H    GLN  46           H        GLN  46 -32.910  -6.987  -4.360
  353    HA   GLN  46           HA       GLN  46 -32.380  -5.497  -1.897
  354   1HB   GLN  46          2HB       GLN  46 -32.251  -8.210  -2.508
  355   2HB   GLN  46          1HB       GLN  46 -30.562  -7.725  -2.468
  356   1HG   GLN  46          2HG       GLN  46 -30.878  -8.294  -0.287
  357   2HG   GLN  46          1HG       GLN  46 -31.278  -6.579  -0.218
  358   1HE2  GLN  46          2HE2      GLN  46 -33.895  -8.326   1.630
  359   2HE2  GLN  46          1HE2      GLN  46 -32.199  -8.036   1.775
  360    H    CYS  47           H        CYS  47 -30.569  -4.276  -1.581
  361    HA   CYS  47           HA       CYS  47 -29.112  -3.498  -3.947
  362   1HB   CYS  47          2HB       CYS  47 -29.278  -2.481  -1.133
  363   2HB   CYS  47          1HB       CYS  47 -27.973  -1.945  -2.186
  364    H    ILE  48           H        ILE  48 -27.602  -4.854  -4.611
  365    HA   ILE  48           HA       ILE  48 -25.966  -6.321  -2.744
  366    HB   ILE  48           HB       ILE  48 -25.930  -6.332  -5.750
  367   1HG1  ILE  48          2HG1      ILE  48 -27.293  -8.085  -3.703
  368   2HG1  ILE  48          1HG1      ILE  48 -28.048  -7.141  -4.979
  369   1HG2  ILE  48          3HG2      ILE  48 -23.801  -7.062  -4.812
  370   2HG2  ILE  48          2HG2      ILE  48 -24.643  -8.208  -3.768
  371   3HG2  ILE  48          1HG2      ILE  48 -24.670  -8.423  -5.519
  372   1HD1  ILE  48          1HD1      ILE  48 -26.375  -8.806  -6.371
  373   2HD1  ILE  48          3HD1      ILE  48 -26.934  -9.821  -5.041
  374   3HD1  ILE  48          2HD1      ILE  48 -28.103  -9.050  -6.114
  375    H    CYS  49           H        CYS  49 -24.046  -5.754  -2.018
  376    HA   CYS  49           HA       CYS  49 -22.635  -3.533  -3.325
  377   1HB   CYS  49          2HB       CYS  49 -22.374  -4.774  -0.581
  378   2HB   CYS  49          1HB       CYS  49 -21.236  -3.588  -1.207
  379    H    ASP  50           H        ASP  50 -21.155  -4.100  -4.769
  380    HA   ASP  50           HA       ASP  50 -19.858  -6.712  -4.600
  381   1HB   ASP  50          2HB       ASP  50 -20.895  -5.782  -6.736
  382   2HB   ASP  50          1HB       ASP  50 -19.536  -4.666  -6.791
  383    H    TYR  51           H        TYR  51 -17.566  -6.952  -4.809
  384    HA   TYR  51           HA       TYR  51 -16.033  -4.604  -3.877
  385   1HB   TYR  51          2HB       TYR  51 -15.954  -7.444  -2.907
  386   2HB   TYR  51          1HB       TYR  51 -14.631  -6.325  -2.611
  387    HD1  TYR  51           HD2      TYR  51 -18.346  -6.499  -2.232
  388    HD2  TYR  51           HD1      TYR  51 -14.644  -5.170  -0.611
  389    HE1  TYR  51           HE2      TYR  51 -19.525  -5.673  -0.240
  390    HE2  TYR  51           HE1      TYR  51 -15.811  -4.340   1.389
  391    HH   TYR  51           HH       TYR  51 -18.895  -5.209   2.213
  392    H    CYS  52           H        CYS  52 -16.007  -7.592  -5.774
  393    HA   CYS  52           HA       CYS  52 -13.683  -6.549  -7.228
  394   1HB   CYS  52          2HB       CYS  52 -13.325  -9.383  -7.029
  395   2HB   CYS  52          1HB       CYS  52 -12.269  -8.106  -6.435
  396    H    GLU  53           H        GLU  53 -16.747  -7.667  -7.357
  397    HA   GLU  53           HA       GLU  53 -18.014  -8.831  -8.900
  398   1HB   GLU  53          2HB       GLU  53 -17.833  -7.772 -11.158
  399   2HB   GLU  53          1HB       GLU  53 -17.983  -6.621  -9.839
  400   1HG   GLU  53          2HG       GLU  53 -15.314  -7.381 -10.969
  401   2HG   GLU  53          1HG       GLU  53 -16.306  -6.114 -11.686
  402    H    TYR  54           HN       TYR  54 -15.648 -10.262  -8.205
  403    HA   TYR  54           HA       TYR  54 -14.435 -12.071  -8.847
  404   1HB   TYR  54          2HB       TYR  54 -16.620 -12.067 -10.913
  405   2HB   TYR  54          1HB       TYR  54 -15.325 -13.260 -10.973
  406    HD1  TYR  54           HD2      TYR  54 -17.282 -11.812  -8.135
  407    HD2  TYR  54           HD1      TYR  54 -16.153 -15.303 -10.288
  408    HE1  TYR  54           HE2      TYR  54 -18.497 -13.201  -6.507
  409    HE2  TYR  54           HE1      TYR  54 -17.366 -16.700  -8.669
  410    HH   TYR  54           HH       TYR  54 -18.166 -16.599  -6.389
   
  No H/Q in entry =         410
  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1 -18.123 -21.048  -0.455
    2    HA   PCA   1           HA       PCA   1 -16.182 -20.532  -2.012
    3   1HB   PCA   1          1HB       PCA   1 -16.761 -20.303  -4.186
    4   2HB   PCA   1          2HB       PCA   1 -17.587 -18.775  -3.805
    5   1HG   PCA   1          1HG       PCA   1 -18.774 -21.339  -4.378
    6   2HG   PCA   1          2HG       PCA   1 -19.604 -19.834  -3.945
    7    H    ASP   2           H        ASP   2 -14.971 -18.694  -1.649
    8    HA   ASP   2           HA       ASP   2 -16.257 -16.634  -0.010
    9   1HB   ASP   2          2HB       ASP   2 -13.297 -16.781  -0.427
   10   2HB   ASP   2          1HB       ASP   2 -14.200 -16.250   0.988
   11    H    LYS   3           H        LYS   3 -17.196 -15.937  -2.211
   12    HA   LYS   3           HA       LYS   3 -15.542 -14.643  -4.103
   13   1HB   LYS   3          2HB       LYS   3 -18.411 -13.899  -3.569
   14   2HB   LYS   3          1HB       LYS   3 -17.533 -13.840  -5.093
   15   1HG   LYS   3          2HG       LYS   3 -17.341 -16.442  -4.670
   16   2HG   LYS   3          1HG       LYS   3 -18.792 -16.147  -3.711
   17   1HD   LYS   3          2HD       LYS   3 -19.718 -16.593  -5.766
   18   2HD   LYS   3          1HD       LYS   3 -19.561 -14.837  -5.854
   19   1HE   LYS   3          2HE       LYS   3 -17.450 -15.088  -7.067
   20   2HE   LYS   3          1HE       LYS   3 -17.605 -16.842  -6.977
   21   1HZ   LYS   3          2HZ       LYS   3 -19.860 -15.415  -8.131
   22   2HZ   LYS   3          1HZ       LYS   3 -18.438 -15.410  -9.047
   23   3HZ   LYS   3          3HZ       LYS   3 -19.152 -16.877  -8.597
   24    H    CYS   4           H        CYS   4 -17.418 -12.178  -3.990
   25    HA   CYS   4           HA       CYS   4 -16.255 -10.756  -1.726
   26   1HB   CYS   4          2HB       CYS   4 -15.542 -10.282  -4.575
   27   2HB   CYS   4          1HB       CYS   4 -15.740  -8.868  -3.545
   28    H    LYS   5           H        LYS   5 -18.894 -11.444  -3.535
   29    HA   LYS   5           HA       LYS   5 -20.119  -8.800  -3.324
   30   1HB   LYS   5          2HB       LYS   5 -20.719 -11.305  -4.795
   31   2HB   LYS   5          1HB       LYS   5 -22.106 -10.346  -4.297
   32   1HG   LYS   5          2HG       LYS   5 -21.286  -8.436  -5.504
   33   2HG   LYS   5          1HG       LYS   5 -19.787  -9.284  -5.896
   34   1HD   LYS   5          2HD       LYS   5 -20.941 -10.849  -7.272
   35   2HD   LYS   5          1HD       LYS   5 -22.512 -10.264  -6.724
   36   1HE   LYS   5          2HE       LYS   5 -21.292  -7.989  -7.738
   37   2HE   LYS   5          1HE       LYS   5 -20.792  -9.259  -8.854
   38   1HZ   LYS   5          1HZ       LYS   5 -23.422  -9.764  -8.513
   39   2HZ   LYS   5          3HZ       LYS   5 -23.383  -8.074  -8.463
   40   3HZ   LYS   5          2HZ       LYS   5 -22.761  -8.894  -9.803
   41    H    LYS   6           H        LYS   6 -21.578  -8.240  -1.805
   42    HA   LYS   6           HA       LYS   6 -22.877 -10.302  -0.212
   43   1HB   LYS   6          2HB       LYS   6 -21.728  -8.133   1.444
   44   2HB   LYS   6          1HB       LYS   6 -21.920  -9.840   1.802
   45   1HG   LYS   6          2HG       LYS   6 -19.819  -8.926  -0.129
   46   2HG   LYS   6          1HG       LYS   6 -19.556  -8.829   1.609
   47   1HD   LYS   6          2HD       LYS   6 -20.599 -11.412   0.630
   48   2HD   LYS   6          1HD       LYS   6 -18.963 -11.008   0.111
   49   1HE   LYS   6          2HE       LYS   6 -19.947 -11.045   2.963
   50   2HE   LYS   6          1HE       LYS   6 -18.975 -12.301   2.195
   51   1HZ   LYS   6          1HZ       LYS   6 -17.472 -10.167   1.718
   52   2HZ   LYS   6          3HZ       LYS   6 -18.184  -9.681   3.174
   53   3HZ   LYS   6          2HZ       LYS   6 -17.303 -11.123   3.102
   54    H    VAL   7           H        VAL   7 -24.925  -9.795   0.159
   55    HA   VAL   7           HA       VAL   7 -26.041  -7.361  -0.753
   56    HB   VAL   7           HB       VAL   7 -28.084  -8.305  -0.393
   57   1HG1  VAL   7          2HG1      VAL   7 -26.364 -10.025  -1.362
   58   2HG1  VAL   7          1HG1      VAL   7 -26.702 -10.889   0.139
   59   3HG1  VAL   7          3HG1      VAL   7 -28.013 -10.520  -0.981
   60   1HG2  VAL   7          2HG2      VAL   7 -26.989  -9.444   2.174
   61   2HG2  VAL   7          1HG2      VAL   7 -28.192  -8.169   1.980
   62   3HG2  VAL   7          3HG2      VAL   7 -28.592  -9.832   1.551
   63    H    TYR   8           H        TYR   8 -26.918  -5.622   0.399
   64    HA   TYR   8           HA       TYR   8 -25.541  -4.941   2.795
   65   1HB   TYR   8          2HB       TYR   8 -26.442  -3.359   0.972
   66   2HB   TYR   8          1HB       TYR   8 -28.002  -3.541   1.760
   67    HD1  TYR   8           HD1      TYR   8 -26.167  -3.717   4.557
   68    HD2  TYR   8           HD2      TYR   8 -26.890  -0.902   1.439
   69    HE1  TYR   8           HE1      TYR   8 -25.588  -1.891   6.078
   70    HE2  TYR   8           HE2      TYR   8 -26.309   0.933   2.965
   71    HH   TYR   8           HH       TYR   8 -26.127   1.428   5.262
   72    H    GLU   9           H        GLU   9 -26.064  -6.507   4.339
   73    HA   GLU   9           HA       GLU   9 -28.674  -7.341   4.945
   74   1HB   GLU   9          2HB       GLU   9 -27.440  -7.744   7.302
   75   2HB   GLU   9          1HB       GLU   9 -27.216  -8.794   5.910
   76   1HG   GLU   9          2HG       GLU   9 -25.121  -7.968   5.446
   77   2HG   GLU   9          1HG       GLU   9 -25.420  -6.446   6.283
   78    H    ASN  10           H        ASN  10 -29.664  -5.243   4.782
   79    HA   ASN  10           HA       ASN  10 -31.135  -4.121   6.389
   80   1HB   ASN  10          2HB       ASN  10 -30.197  -2.725   8.131
   81   2HB   ASN  10          1HB       ASN  10 -29.627  -4.368   8.345
   82   1HD2  ASN  10          2HD2      ASN  10 -26.364  -3.263   8.586
   83   2HD2  ASN  10          1HD2      ASN  10 -27.631  -4.317   9.108
   84    H    TYR  11           H        TYR  11 -31.995  -2.573   5.225
   85    HA   TYR  11           HA       TYR  11 -30.801  -0.138   4.586
   86   1HB   TYR  11          2HB       TYR  11 -29.391  -1.403   3.037
   87   2HB   TYR  11          1HB       TYR  11 -30.815  -2.120   2.295
   88    HD1  TYR  11           HD1      TYR  11 -32.327  -0.702   0.916
   89    HD2  TYR  11           HD2      TYR  11 -28.638   0.765   2.442
   90    HE1  TYR  11           HE1      TYR  11 -32.406   1.156  -0.694
   91    HE2  TYR  11           HE2      TYR  11 -28.706   2.626   0.838
   92    HH   TYR  11           HH       TYR  11 -29.839   3.618  -0.787
   93    HA   PRO  12           HA       PRO  12 -35.156   0.549   3.957
   94   1HB   PRO  12          2HB       PRO  12 -35.076   3.002   2.761
   95   2HB   PRO  12          1HB       PRO  12 -34.816   2.755   4.492
   96   1HG   PRO  12          2HG       PRO  12 -32.798   3.102   2.307
   97   2HG   PRO  12          1HG       PRO  12 -32.835   3.835   3.922
   98   1HD   PRO  12          2HD       PRO  12 -31.275   1.718   3.354
   99   2HD   PRO  12          1HD       PRO  12 -32.035   1.921   4.946
  100    H    VAL  13           H        VAL  13 -34.930  -1.280   2.314
  101    HA   VAL  13           HA       VAL  13 -34.546  -0.873  -0.410
  102    HB   VAL  13           HB       VAL  13 -36.631  -2.779   0.601
  103   1HG1  VAL  13          2HG1      VAL  13 -34.588  -2.925  -1.610
  104   2HG1  VAL  13          1HG1      VAL  13 -35.736  -4.199  -1.196
  105   3HG1  VAL  13          3HG1      VAL  13 -36.319  -2.646  -1.798
  106   1HG2  VAL  13          1HG2      VAL  13 -33.685  -2.851   1.073
  107   2HG2  VAL  13          3HG2      VAL  13 -35.008  -3.317   2.144
  108   3HG2  VAL  13          2HG2      VAL  13 -34.555  -4.360   0.796
  109    H    SER  14           H        SER  14 -35.484   0.868  -1.337
  110    HA   SER  14           HA       SER  14 -38.168   0.733  -2.152
  111   1HB   SER  14          2HB       SER  14 -38.982   2.812  -0.959
  112   2HB   SER  14          1HB       SER  14 -38.803   1.384   0.061
  113    HG   SER  14           HG       SER  14 -36.651   2.280   0.559
  114    H    LYS  15           H        LYS  15 -36.038   3.438  -1.206
  115    HA   LYS  15           HA       LYS  15 -36.505   4.896  -3.579
  116   1HB   LYS  15          2HB       LYS  15 -34.618   5.101  -1.285
  117   2HB   LYS  15          1HB       LYS  15 -34.216   5.998  -2.742
  118   1HG   LYS  15          2HG       LYS  15 -36.940   6.226  -1.531
  119   2HG   LYS  15          1HG       LYS  15 -35.584   7.149  -0.881
  120   1HD   LYS  15          2HD       LYS  15 -35.276   8.322  -2.893
  121   2HD   LYS  15          1HD       LYS  15 -36.258   7.176  -3.807
  122   1HE   LYS  15          2HE       LYS  15 -37.429   8.813  -1.582
  123   2HE   LYS  15          1HE       LYS  15 -37.285   9.456  -3.217
  124   1HZ   LYS  15          1HZ       LYS  15 -38.536   6.831  -2.853
  125   2HZ   LYS  15          3HZ       LYS  15 -39.431   8.210  -2.450
  126   3HZ   LYS  15          2HZ       LYS  15 -38.839   8.015  -4.022
  127    H    CYS  16           H        CYS  16 -34.860   2.070  -3.188
  128    HA   CYS  16           HA       CYS  16 -32.561   2.480  -4.788
  129   1HB   CYS  16          2HB       CYS  16 -33.727   0.331  -3.338
  130   2HB   CYS  16          1HB       CYS  16 -33.447  -0.246  -4.975
  131    H    GLN  17           H        GLN  17 -33.345   3.677  -6.565
  132    HA   GLN  17           HA       GLN  17 -34.356   1.983  -8.712
  133   1HB   GLN  17          2HB       GLN  17 -35.671   4.569  -7.870
  134   2HB   GLN  17          1HB       GLN  17 -35.974   3.769  -9.406
  135   1HG   GLN  17          2HG       GLN  17 -36.551   1.719  -7.915
  136   2HG   GLN  17          1HG       GLN  17 -36.747   2.932  -6.652
  137   1HE2  GLN  17          2HE2      GLN  17 -39.960   3.666  -7.635
  138   2HE2  GLN  17          1HE2      GLN  17 -38.765   3.527  -6.396
  139    H    LEU  18           H        LEU  18 -31.831   3.453  -7.939
  140    HA   LEU  18           HA       LEU  18 -31.161   4.338 -10.561
  141   1HB   LEU  18          2HB       LEU  18 -30.423   6.588  -8.932
  142   2HB   LEU  18          1HB       LEU  18 -31.374   6.564 -10.400
  143    HG   LEU  18           HG       LEU  18 -33.415   6.310  -9.136
  144   1HD1  LEU  18          3HD1      LEU  18 -31.657   5.393  -7.049
  145   2HD1  LEU  18          2HD1      LEU  18 -32.651   6.722  -6.458
  146   3HD1  LEU  18          1HD1      LEU  18 -33.414   5.301  -7.161
  147   1HD2  LEU  18          1HD2      LEU  18 -32.369   8.559  -9.472
  148   2HD2  LEU  18          3HD2      LEU  18 -33.486   8.454  -8.111
  149   3HD2  LEU  18          2HD2      LEU  18 -31.746   8.444  -7.826
  150    H    ALA  19           H        ALA  19 -29.088   3.921 -10.915
  151    HA   ALA  19           HA       ALA  19 -27.449   2.654  -9.057
  152   1HB   ALA  19          3HB       ALA  19 -27.222   2.552 -11.541
  153   2HB   ALA  19          2HB       ALA  19 -26.501   4.160 -11.488
  154   3HB   ALA  19          1HB       ALA  19 -25.701   2.810 -10.685
  155    H    ASN  20           H        ASN  20 -27.768   4.181  -7.236
  156    HA   ASN  20           HA       ASN  20 -25.446   5.827  -6.923
  157   1HB   ASN  20          2HB       ASN  20 -27.009   7.346  -8.145
  158   2HB   ASN  20          1HB       ASN  20 -28.142   7.194  -6.806
  159   1HD2  ASN  20          2HD2      ASN  20 -24.591   9.095  -6.058
  160   2HD2  ASN  20          1HD2      ASN  20 -24.640   7.700  -7.075
  161    H    GLN  21           H        GLN  21 -27.959   7.058  -5.080
  162    HA   GLN  21           HA       GLN  21 -27.523   6.952  -2.640
  163   1HB   GLN  21          2HB       GLN  21 -29.870   5.549  -3.854
  164   2HB   GLN  21          1HB       GLN  21 -29.679   5.547  -2.106
  165   1HG   GLN  21          2HG       GLN  21 -31.097   7.388  -3.272
  166   2HG   GLN  21          1HG       GLN  21 -30.042   7.800  -1.921
  167   1HE2  GLN  21          2HE2      GLN  21 -27.820   9.732  -3.812
  168   2HE2  GLN  21          1HE2      GLN  21 -28.060   8.839  -2.352
  169    H    CYS  22           H        CYS  22 -28.723   3.726  -3.473
  170    HA   CYS  22           HA       CYS  22 -27.442   2.418  -1.359
  171   1HB   CYS  22          2HB       CYS  22 -29.302   1.350  -2.405
  172   2HB   CYS  22          1HB       CYS  22 -28.528   1.403  -3.985
  173    H    ASN  23           H        ASN  23 -26.574   2.466  -4.815
  174    HA   ASN  23           HA       ASN  23 -24.238   0.995  -4.698
  175   1HB   ASN  23          2HB       ASN  23 -25.340   1.797  -6.791
  176   2HB   ASN  23          1HB       ASN  23 -24.730   3.414  -6.453
  177   1HD2  ASN  23          2HD2      ASN  23 -22.056   2.599  -8.511
  178   2HD2  ASN  23          1HD2      ASN  23 -23.481   3.545  -8.273
  179    H    TYR  24           H        TYR  24 -24.377   4.556  -4.798
  180    HA   TYR  24           HA       TYR  24 -21.746   5.058  -4.131
  181   1HB   TYR  24          2HB       TYR  24 -22.694   7.050  -4.678
  182   2HB   TYR  24          1HB       TYR  24 -24.273   6.572  -4.069
  183    HD1  TYR  24           HD2      TYR  24 -20.960   7.008  -2.388
  184    HD2  TYR  24           HD1      TYR  24 -25.038   8.200  -2.622
  185    HE1  TYR  24           HE2      TYR  24 -20.642   8.455  -0.426
  186    HE2  TYR  24           HE1      TYR  24 -24.731   9.652  -0.661
  187    HH   TYR  24           HH       TYR  24 -22.536  10.872   0.403
  188    H    ASP  25           H        ASP  25 -24.517   4.504  -1.999
  189    HA   ASP  25           HA       ASP  25 -23.334   5.093   0.437
  190   1HB   ASP  25          2HB       ASP  25 -25.556   3.283  -0.406
  191   2HB   ASP  25          1HB       ASP  25 -24.961   3.161   1.246
  192    H    CYS  26           H        CYS  26 -23.812   1.714  -0.658
  193    HA   CYS  26           HA       CYS  26 -22.019   0.611   1.136
  194   1HB   CYS  26          2HB       CYS  26 -23.393  -0.277  -1.260
  195   2HB   CYS  26          1HB       CYS  26 -21.795  -1.007  -1.139
  196    H    LYS  27           H        LYS  27 -21.408   2.205  -1.913
  197    HA   LYS  27           HA       LYS  27 -18.763   1.393  -2.337
  198   1HB   LYS  27          2HB       LYS  27 -20.310   2.733  -3.888
  199   2HB   LYS  27          1HB       LYS  27 -19.767   4.150  -3.000
  200   1HG   LYS  27          2HG       LYS  27 -17.468   3.701  -3.638
  201   2HG   LYS  27          1HG       LYS  27 -17.971   2.232  -4.472
  202   1HD   LYS  27          2HD       LYS  27 -17.718   3.893  -6.144
  203   2HD   LYS  27          1HD       LYS  27 -19.452   3.683  -5.907
  204   1HE   LYS  27          2HE       LYS  27 -19.708   5.742  -4.942
  205   2HE   LYS  27          1HE       LYS  27 -18.065   5.772  -4.305
  206   1HZ   LYS  27          3HZ       LYS  27 -17.924   5.748  -7.100
  207   2HZ   LYS  27          2HZ       LYS  27 -19.029   6.948  -6.649
  208   3HZ   LYS  27          1HZ       LYS  27 -17.452   6.978  -6.037
  209    H    LEU  28           H        LEU  28 -19.894   2.876   0.362
  210    HA   LEU  28           HA       LEU  28 -17.262   3.605   1.233
  211   1HB   LEU  28          2HB       LEU  28 -17.883   5.584  -0.097
  212   2HB   LEU  28          1HB       LEU  28 -19.300   5.808   0.912
  213    HG   LEU  28           HG       LEU  28 -16.681   5.728   2.315
  214   1HD1  LEU  28          3HD1      LEU  28 -17.477   7.900   0.410
  215   2HD1  LEU  28          2HD1      LEU  28 -16.491   8.241   1.831
  216   3HD1  LEU  28          1HD1      LEU  28 -15.912   7.112   0.607
  217   1HD2  LEU  28          2HD2      LEU  28 -19.160   7.426   2.558
  218   2HD2  LEU  28          1HD2      LEU  28 -18.718   6.058   3.577
  219   3HD2  LEU  28          3HD2      LEU  28 -17.751   7.531   3.614
  220    H    ASP  29           H        ASP  29 -20.683   3.360   1.778
  221    HA   ASP  29           HA       ASP  29 -20.684   3.986   4.549
  222   1HB   ASP  29          2HB       ASP  29 -22.605   2.512   2.754
  223   2HB   ASP  29          1HB       ASP  29 -22.891   2.662   4.485
  224    H    LYS  30           H        LYS  30 -20.781   0.882   2.804
  225    HA   LYS  30           HA       LYS  30 -20.109  -0.524   5.285
  226   1HB   LYS  30          2HB       LYS  30 -21.086  -1.447   2.587
  227   2HB   LYS  30          1HB       LYS  30 -20.490  -2.573   3.799
  228   1HG   LYS  30          2HG       LYS  30 -22.562  -0.658   4.685
  229   2HG   LYS  30          1HG       LYS  30 -23.074  -1.914   3.555
  230   1HD   LYS  30          2HD       LYS  30 -21.439  -2.679   5.931
  231   2HD   LYS  30          1HD       LYS  30 -23.153  -2.320   6.150
  232   1HE   LYS  30          2HE       LYS  30 -22.408  -4.761   5.666
  233   2HE   LYS  30          1HE       LYS  30 -23.830  -4.108   4.853
  234   1HZ   LYS  30          3HZ       LYS  30 -22.316  -3.548   2.962
  235   2HZ   LYS  30          2HZ       LYS  30 -21.106  -4.445   3.733
  236   3HZ   LYS  30          1HZ       LYS  30 -22.530  -5.205   3.230
  237    H    HIS  31           H        HIS  31 -18.367   1.112   3.260
  238    HA   HIS  31           HA       HIS  31 -16.202   1.098   2.575
  239   1HB   HIS  31          2HB       HIS  31 -15.945  -1.332   4.356
  240   2HB   HIS  31          1HB       HIS  31 -14.622  -0.344   3.747
  241    HD1  HIS  31           HD1      HIS  31 -15.736  -0.892   6.815
  242    HD2  HIS  31           HD2      HIS  31 -15.852   2.602   4.568
  243    HE1  HIS  31           HE1      HIS  31 -15.912   0.978   8.489
  244    HE2  HIS  31           HE2      HIS  31 -15.980   3.083   7.106
  245    H    ALA  32           H        ALA  32 -18.198  -0.308   1.040
  246    HA   ALA  32           HA       ALA  32 -16.872  -2.668  -0.007
  247   1HB   ALA  32          2HB       ALA  32 -19.346  -2.557   0.259
  248   2HB   ALA  32          1HB       ALA  32 -19.383  -1.336  -1.012
  249   3HB   ALA  32          3HB       ALA  32 -18.821  -2.968  -1.374
  250    H    ARG  33           H        ARG  33 -17.078  -2.732  -2.592
  251    HA   ARG  33           HA       ARG  33 -15.395  -0.521  -3.517
  252   1HB   ARG  33          2HB       ARG  33 -15.470  -3.352  -3.985
  253   2HB   ARG  33          1HB       ARG  33 -15.638  -2.525  -5.524
  254   1HG   ARG  33          2HG       ARG  33 -13.476  -1.792  -3.582
  255   2HG   ARG  33          1HG       ARG  33 -13.289  -3.126  -4.721
  256   1HD   ARG  33          2HD       ARG  33 -14.246  -0.576  -5.869
  257   2HD   ARG  33          1HD       ARG  33 -12.589  -0.576  -5.269
  258    HE   ARG  33           HE       ARG  33 -12.824  -2.847  -6.801
  259   1HH1  ARG  33          1HH2      ARG  33 -13.221   0.577  -7.294
  260   2HH1  ARG  33          2HH2      ARG  33 -12.724   0.529  -8.951
  261   1HH2  ARG  33          2HH1      ARG  33 -12.162  -2.923  -8.982
  262   2HH2  ARG  33          1HH1      ARG  33 -12.121  -1.463  -9.912
  263    H    SER  34           H        SER  34 -18.485  -2.015  -4.012
  264    HA   SER  34           HA       SER  34 -19.636   0.212  -5.241
  265   1HB   SER  34          2HB       SER  34 -19.996  -0.783  -7.543
  266   2HB   SER  34          1HB       SER  34 -18.348  -0.247  -7.211
  267    HG   SER  34           HG       SER  34 -18.315  -2.297  -8.149
  268    H    GLY  35           H        GLY  35 -21.681  -0.861  -6.712
  269   1HA   GLY  35          2HA       GLY  35 -22.799  -3.251  -5.917
  270   2HA   GLY  35          1HA       GLY  35 -23.234  -2.103  -4.664
  271    H    GLU  36           H        GLU  36 -25.307  -3.107  -5.709
  272    HA   GLU  36           HA       GLU  36 -26.708  -0.992  -6.915
  273   1HB   GLU  36          2HB       GLU  36 -25.331  -1.859  -8.880
  274   2HB   GLU  36          1HB       GLU  36 -26.304  -3.316  -8.790
  275   1HG   GLU  36          2HG       GLU  36 -27.858  -2.352 -10.063
  276   2HG   GLU  36          1HG       GLU  36 -28.099  -1.125  -8.822
  277    H    CYS  37           H        CYS  37 -28.966  -1.470  -7.145
  278    HA   CYS  37           HA       CYS  37 -29.781  -3.662  -5.428
  279   1HB   CYS  37          2HB       CYS  37 -30.933  -1.098  -6.297
  280   2HB   CYS  37          1HB       CYS  37 -32.108  -2.397  -6.126
  281    H    PHE  38           H        PHE  38 -30.928  -5.433  -6.025
  282    HA   PHE  38           HA       PHE  38 -32.024  -5.601  -8.721
  283   1HB   PHE  38          2HB       PHE  38 -29.888  -7.474  -7.695
  284   2HB   PHE  38          1HB       PHE  38 -30.877  -7.794  -9.114
  285    HD1  PHE  38           HD1      PHE  38 -30.914  -5.678 -10.805
  286    HD2  PHE  38           HD2      PHE  38 -27.787  -6.675  -8.095
  287    HE1  PHE  38           HE1      PHE  38 -29.311  -4.451 -12.209
  288    HE2  PHE  38           HE2      PHE  38 -26.178  -5.454  -9.497
  289    HZ   PHE  38           HZ       PHE  38 -26.940  -4.335 -11.555
  290    H    TYR  39           H        TYR  39 -33.512  -7.304  -9.027
  291    HA   TYR  39           HA       TYR  39 -35.176  -7.867  -6.868
  292   1HB   TYR  39          2HB       TYR  39 -34.888  -9.050  -9.603
  293   2HB   TYR  39          1HB       TYR  39 -36.013  -9.756  -8.459
  294    HD1  TYR  39           HD2      TYR  39 -35.963  -6.226  -7.923
  295    HD2  TYR  39           HD1      TYR  39 -37.456  -9.221 -10.557
  296    HE1  TYR  39           HE2      TYR  39 -37.691  -4.679  -8.699
  297    HE2  TYR  39           HE1      TYR  39 -39.190  -7.669 -11.334
  298    HH   TYR  39           HH       TYR  39 -39.428  -5.076 -11.443
  299    H    ASP  40           H        ASP  40 -35.841 -10.431  -6.709
  300    HA   ASP  40           HA       ASP  40 -33.707 -12.266  -6.494
  301   1HB   ASP  40          2HB       ASP  40 -33.434 -12.414  -4.102
  302   2HB   ASP  40          1HB       ASP  40 -33.139 -10.745  -4.582
  303    H    GLU  41           H        GLU  41 -35.234 -13.432  -7.612
  304    HA   GLU  41           HA       GLU  41 -37.184 -14.595  -7.944
  305   1HB   GLU  41          2HB       GLU  41 -37.225 -16.488  -6.115
  306   2HB   GLU  41          1HB       GLU  41 -35.925 -16.397  -7.292
  307   1HG   GLU  41          2HG       GLU  41 -34.587 -15.138  -5.600
  308   2HG   GLU  41          1HG       GLU  41 -35.863 -15.479  -4.431
  309    H    LYS  42           H        LYS  42 -37.661 -12.177  -6.319
  310    HA   LYS  42           HA       LYS  42 -40.243 -12.977  -5.252
  311   1HB   LYS  42          2HB       LYS  42 -38.014 -11.853  -3.598
  312   2HB   LYS  42          1HB       LYS  42 -39.657 -11.370  -3.225
  313   1HG   LYS  42          2HG       LYS  42 -39.743 -14.172  -3.457
  314   2HG   LYS  42          1HG       LYS  42 -38.272 -13.814  -2.558
  315   1HD   LYS  42          2HD       LYS  42 -39.973 -14.062  -0.944
  316   2HD   LYS  42          1HD       LYS  42 -39.698 -12.326  -1.082
  317   1HE   LYS  42          2HE       LYS  42 -41.657 -12.099  -2.497
  318   2HE   LYS  42          1HE       LYS  42 -41.898 -13.845  -2.482
  319   1HZ   LYS  42          2HZ       LYS  42 -41.902 -13.364   0.115
  320   2HZ   LYS  42          1HZ       LYS  42 -42.482 -11.869  -0.424
  321   3HZ   LYS  42          3HZ       LYS  42 -43.307 -13.289  -0.825
  322    H    ARG  43           H        ARG  43 -38.592 -11.094  -7.228
  323    HA   ARG  43           HA       ARG  43 -39.054  -9.189  -8.377
  324   1HB   ARG  43          2HB       ARG  43 -41.393 -10.081  -8.248
  325   2HB   ARG  43          1HB       ARG  43 -41.636  -9.059  -6.837
  326   1HG   ARG  43          2HG       ARG  43 -40.561  -7.412  -8.880
  327   2HG   ARG  43          1HG       ARG  43 -41.848  -8.371  -9.609
  328   1HD   ARG  43          2HD       ARG  43 -42.785  -6.337  -8.777
  329   2HD   ARG  43          1HD       ARG  43 -43.340  -7.665  -7.760
  330    HE   ARG  43           HE       ARG  43 -41.071  -6.637  -6.555
  331   1HH1  ARG  43          1HH2      ARG  43 -44.254  -5.511  -7.414
  332   2HH1  ARG  43          2HH2      ARG  43 -44.346  -4.377  -6.108
  333   1HH2  ARG  43          2HH1      ARG  43 -41.183  -5.146  -4.834
  334   2HH2  ARG  43          1HH1      ARG  43 -42.601  -4.170  -4.641
  335    H    ASN  44           H        ASN  44 -38.557  -9.321  -5.131
  336    HA   ASN  44           HA       ASN  44 -38.694  -6.424  -4.720
  337   1HB   ASN  44          2HB       ASN  44 -38.592  -8.796  -2.939
  338   2HB   ASN  44          1HB       ASN  44 -37.727  -7.374  -2.363
  339   1HD2  ASN  44          2HD2      ASN  44 -41.759  -7.526  -2.330
  340   2HD2  ASN  44          1HD2      ASN  44 -40.792  -8.799  -2.983
  341    H    LEU  45           H        LEU  45 -36.928  -5.149  -4.428
  342    HA   LEU  45           HA       LEU  45 -34.486  -6.107  -5.576
  343   1HB   LEU  45          2HB       LEU  45 -35.131  -3.432  -4.341
  344   2HB   LEU  45          1HB       LEU  45 -33.702  -3.800  -5.287
  345    HG   LEU  45           HG       LEU  45 -35.142  -4.243  -7.250
  346   1HD1  LEU  45          3HD1      LEU  45 -37.276  -3.599  -5.264
  347   2HD1  LEU  45          2HD1      LEU  45 -37.514  -3.203  -6.965
  348   3HD1  LEU  45          1HD1      LEU  45 -37.223  -4.874  -6.481
  349   1HD2  LEU  45          3HD2      LEU  45 -35.380  -1.549  -5.922
  350   2HD2  LEU  45          2HD2      LEU  45 -34.158  -2.077  -7.080
  351   3HD2  LEU  45          1HD2      LEU  45 -35.830  -1.864  -7.598
  352    H    GLN  46           H        GLN  46 -32.420  -5.915  -4.699
  353    HA   GLN  46           HA       GLN  46 -32.137  -5.763  -1.801
  354   1HB   GLN  46          2HB       GLN  46 -31.620  -8.176  -3.492
  355   2HB   GLN  46          1HB       GLN  46 -30.518  -7.847  -2.163
  356   1HG   GLN  46          2HG       GLN  46 -33.310  -7.661  -1.354
  357   2HG   GLN  46          1HG       GLN  46 -32.902  -9.245  -2.007
  358   1HE2  GLN  46          2HE2      GLN  46 -31.079  -7.942   1.421
  359   2HE2  GLN  46          1HE2      GLN  46 -31.669  -6.809   0.258
  360    H    CYS  47           H        CYS  47 -30.308  -4.719  -1.244
  361    HA   CYS  47           HA       CYS  47 -28.729  -3.534  -3.308
  362   1HB   CYS  47          2HB       CYS  47 -28.930  -3.310  -0.354
  363   2HB   CYS  47          1HB       CYS  47 -27.408  -2.807  -1.084
  364    H    ILE  48           H        ILE  48 -27.441  -4.958  -4.393
  365    HA   ILE  48           HA       ILE  48 -25.763  -6.828  -2.931
  366    HB   ILE  48           HB       ILE  48 -26.150  -6.306  -5.873
  367   1HG1  ILE  48          2HG1      ILE  48 -26.888  -8.685  -5.836
  368   2HG1  ILE  48          1HG1      ILE  48 -26.664  -8.696  -4.090
  369   1HG2  ILE  48          2HG2      ILE  48 -24.020  -7.866  -4.475
  370   2HG2  ILE  48          1HG2      ILE  48 -24.624  -8.410  -6.041
  371   3HG2  ILE  48          3HG2      ILE  48 -23.896  -6.811  -5.883
  372   1HD1  ILE  48          3HD1      ILE  48 -28.510  -6.779  -5.469
  373   2HD1  ILE  48          2HD1      ILE  48 -29.019  -8.378  -4.927
  374   3HD1  ILE  48          1HD1      ILE  48 -28.439  -7.194  -3.756
  375    H    CYS  49           H        CYS  49 -24.028  -5.951  -1.937
  376    HA   CYS  49           HA       CYS  49 -22.577  -3.773  -3.266
  377   1HB   CYS  49          2HB       CYS  49 -22.106  -4.835  -0.483
  378   2HB   CYS  49          1HB       CYS  49 -21.603  -3.282  -1.149
  379    H    ASP  50           H        ASP  50 -20.852  -4.208  -4.435
  380    HA   ASP  50           HA       ASP  50 -19.485  -6.769  -4.105
  381   1HB   ASP  50          2HB       ASP  50 -20.263  -5.616  -6.367
  382   2HB   ASP  50          1HB       ASP  50 -18.701  -4.816  -6.224
  383    H    TYR  51           H        TYR  51 -17.558  -6.990  -3.223
  384    HA   TYR  51           HA       TYR  51 -16.192  -4.607  -2.231
  385   1HB   TYR  51          2HB       TYR  51 -16.098  -7.525  -1.557
  386   2HB   TYR  51          1HB       TYR  51 -14.828  -6.438  -1.007
  387    HD1  TYR  51           HD2      TYR  51 -18.461  -7.125  -0.822
  388    HD2  TYR  51           HD1      TYR  51 -15.177  -5.009   0.859
  389    HE1  TYR  51           HE2      TYR  51 -19.860  -6.499   1.094
  390    HE2  TYR  51           HE1      TYR  51 -16.567  -4.374   2.785
  391    HH   TYR  51           HH       TYR  51 -19.898  -5.544   3.113
  392    H    CYS  52           H        CYS  52 -15.727  -7.326  -4.400
  393    HA   CYS  52           HA       CYS  52 -13.364  -6.005  -5.484
  394   1HB   CYS  52          2HB       CYS  52 -12.977  -8.917  -5.297
  395   2HB   CYS  52          1HB       CYS  52 -11.855  -7.608  -4.959
  396    H    GLU  53           H        GLU  53 -14.481  -9.302  -6.073
  397    HA   GLU  53           HA       GLU  53 -16.296  -9.367  -7.928
  398   1HB   GLU  53          2HB       GLU  53 -15.636  -7.609  -9.310
  399   2HB   GLU  53          1HB       GLU  53 -13.928  -8.016  -9.183
  400   1HG   GLU  53          2HG       GLU  53 -14.186  -9.867 -10.655
  401   2HG   GLU  53          1HG       GLU  53 -15.942  -9.716 -10.624
  402    H    TYR  54           HN       TYR  54 -13.235 -10.371  -6.913
  403    HA   TYR  54           HA       TYR  54 -12.252 -12.283  -8.473
  404   1HB   TYR  54          2HB       TYR  54 -12.813 -12.360  -5.526
  405   2HB   TYR  54          1HB       TYR  54 -12.085 -13.752  -6.320
  406    HD1  TYR  54           HD2      TYR  54 -11.405 -10.254  -7.289
  407    HD2  TYR  54           HD1      TYR  54  -9.989 -13.666  -5.176
  408    HE1  TYR  54           HE2      TYR  54  -9.194  -9.202  -7.082
  409    HE2  TYR  54           HE1      TYR  54  -7.774 -12.621  -4.963
  410    HH   TYR  54           HH       TYR  54  -7.149  -9.558  -5.238
   
  No H/Q in entry =         410
  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1 -12.584 -12.606  -1.546
    2    HA   PCA   1           HA       PCA   1 -10.989 -14.515  -2.068
    3   1HB   PCA   1          1HB       PCA   1  -9.695 -15.162  -0.328
    4   2HB   PCA   1          2HB       PCA   1 -11.126 -15.825   0.494
    5   1HG   PCA   1          1HG       PCA   1  -9.699 -13.387   1.091
    6   2HG   PCA   1          2HG       PCA   1 -11.151 -14.019   1.891
    7    H    ASP   2           H        ASP   2 -13.457 -14.934   0.479
    8    HA   ASP   2           HA       ASP   2 -14.546 -17.255  -0.825
    9   1HB   ASP   2          2HB       ASP   2 -16.378 -16.616   1.108
   10   2HB   ASP   2          1HB       ASP   2 -14.936 -17.589   1.383
   11    H    LYS   3           H        LYS   3 -15.979 -14.104   0.075
   12    HA   LYS   3           HA       LYS   3 -17.691 -14.308  -2.325
   13   1HB   LYS   3          2HB       LYS   3 -18.546 -12.898   0.192
   14   2HB   LYS   3          1HB       LYS   3 -19.538 -13.445  -1.154
   15   1HG   LYS   3          2HG       LYS   3 -18.595 -15.810  -0.360
   16   2HG   LYS   3          1HG       LYS   3 -18.498 -14.949   1.176
   17   1HD   LYS   3          2HD       LYS   3 -20.976 -15.132  -0.539
   18   2HD   LYS   3          1HD       LYS   3 -20.639 -16.161   0.854
   19   1HE   LYS   3          2HE       LYS   3 -20.850 -13.154   0.930
   20   2HE   LYS   3          1HE       LYS   3 -22.136 -14.270   1.387
   21   1HZ   LYS   3          2HZ       LYS   3 -19.686 -14.857   2.727
   22   2HZ   LYS   3          1HZ       LYS   3 -20.193 -13.273   3.031
   23   3HZ   LYS   3          3HZ       LYS   3 -21.223 -14.572   3.373
   24    H    CYS   4           H        CYS   4 -17.511 -12.693  -3.708
   25    HA   CYS   4           HA       CYS   4 -15.924 -10.365  -2.974
   26   1HB   CYS   4          2HB       CYS   4 -16.544 -11.819  -5.441
   27   2HB   CYS   4          1HB       CYS   4 -16.568 -10.071  -5.645
   28    H    LYS   5           H        LYS   5 -18.996 -11.029  -2.516
   29    HA   LYS   5           HA       LYS   5 -19.819  -8.250  -2.854
   30   1HB   LYS   5          2HB       LYS   5 -21.844  -8.729  -3.981
   31   2HB   LYS   5          1HB       LYS   5 -20.593  -9.594  -4.861
   32   1HG   LYS   5          2HG       LYS   5 -22.489 -10.798  -2.853
   33   2HG   LYS   5          1HG       LYS   5 -22.600 -10.941  -4.608
   34   1HD   LYS   5          2HD       LYS   5 -20.336 -12.008  -4.579
   35   2HD   LYS   5          1HD       LYS   5 -20.432 -12.023  -2.818
   36   1HE   LYS   5          2HE       LYS   5 -21.104 -14.175  -3.697
   37   2HE   LYS   5          1HE       LYS   5 -22.489 -13.366  -2.963
   38   1HZ   LYS   5          3HZ       LYS   5 -22.789 -12.548  -5.442
   39   2HZ   LYS   5          2HZ       LYS   5 -21.974 -13.993  -5.768
   40   3HZ   LYS   5          1HZ       LYS   5 -23.426 -14.020  -4.902
   41    H    LYS   6           H        LYS   6 -21.713  -7.699  -1.560
   42    HA   LYS   6           HA       LYS   6 -22.544  -9.628   0.442
   43   1HB   LYS   6          2HB       LYS   6 -20.351  -8.218   1.071
   44   2HB   LYS   6          1HB       LYS   6 -21.565  -7.048   1.563
   45   1HG   LYS   6          2HG       LYS   6 -21.576  -8.123   3.525
   46   2HG   LYS   6          1HG       LYS   6 -22.491  -9.379   2.695
   47   1HD   LYS   6          2HD       LYS   6 -20.334 -10.493   2.128
   48   2HD   LYS   6          1HD       LYS   6 -19.502  -9.281   3.102
   49   1HE   LYS   6          2HE       LYS   6 -21.505 -10.252   4.780
   50   2HE   LYS   6          1HE       LYS   6 -20.904 -11.682   3.944
   51   1HZ   LYS   6          3HZ       LYS   6 -18.686 -10.184   4.685
   52   2HZ   LYS   6          2HZ       LYS   6 -19.704 -10.225   6.035
   53   3HZ   LYS   6          1HZ       LYS   6 -19.191 -11.669   5.321
   54    H    VAL   7           H        VAL   7 -24.687  -9.415   0.608
   55    HA   VAL   7           HA       VAL   7 -26.120  -7.237  -0.462
   56    HB   VAL   7           HB       VAL   7 -28.092  -8.274   0.267
   57   1HG1  VAL   7          1HG1      VAL   7 -26.723  -9.597  -1.349
   58   2HG1  VAL   7          3HG1      VAL   7 -26.152 -10.564   0.010
   59   3HG1  VAL   7          2HG1      VAL   7 -27.865 -10.555  -0.408
   60   1HG2  VAL   7          1HG2      VAL   7 -26.406  -9.295   2.497
   61   2HG2  VAL   7          3HG2      VAL   7 -28.006  -8.555   2.532
   62   3HG2  VAL   7          2HG2      VAL   7 -27.823 -10.227   2.011
   63    H    TYR   8           H        TYR   8 -27.028  -5.463   0.424
   64    HA   TYR   8           HA       TYR   8 -25.836  -4.164   2.531
   65   1HB   TYR   8          2HB       TYR   8 -27.132  -2.937   0.951
   66   2HB   TYR   8          1HB       TYR   8 -28.592  -3.834   1.355
   67    HD1  TYR   8           HD1      TYR   8 -29.723  -3.432   3.530
   68    HD2  TYR   8           HD2      TYR   8 -26.443  -1.061   2.232
   69    HE1  TYR   8           HE1      TYR   8 -30.321  -1.715   5.180
   70    HE2  TYR   8           HE2      TYR   8 -27.025   0.667   3.883
   71    HH   TYR   8           HH       TYR   8 -29.673   0.185   6.184
   72    H    GLU   9           H        GLU   9 -27.744  -6.850   2.805
   73    HA   GLU   9           HA       GLU   9 -28.232  -8.029   4.727
   74   1HB   GLU   9          2HB       GLU   9 -28.247  -5.449   6.300
   75   2HB   GLU   9          1HB       GLU   9 -28.263  -7.083   6.922
   76   1HG   GLU   9          2HG       GLU   9 -26.010  -7.437   5.958
   77   2HG   GLU   9          1HG       GLU   9 -25.976  -5.738   5.506
   78    H    ASN  10           H        ASN  10 -29.903  -6.007   2.972
   79    HA   ASN  10           HA       ASN  10 -32.210  -6.489   2.548
   80   1HB   ASN  10          2HB       ASN  10 -32.501  -7.782   4.668
   81   2HB   ASN  10          1HB       ASN  10 -32.644  -6.250   5.531
   82   1HD2  ASN  10          2HD2      ASN  10 -36.060  -7.200   5.001
   83   2HD2  ASN  10          1HD2      ASN  10 -34.704  -7.578   6.004
   84    H    TYR  11           H        TYR  11 -31.539  -4.409   1.621
   85    HA   TYR  11           HA       TYR  11 -31.705  -1.947   2.900
   86   1HB   TYR  11          2HB       TYR  11 -31.084  -2.678   0.414
   87   2HB   TYR  11          1HB       TYR  11 -32.750  -2.208   0.105
   88    HD1  TYR  11           HD2      TYR  11 -29.452  -0.999   1.217
   89    HD2  TYR  11           HD1      TYR  11 -33.384   0.098   0.038
   90    HE1  TYR  11           HE2      TYR  11 -28.727   1.341   1.026
   91    HE2  TYR  11           HE1      TYR  11 -32.674   2.443  -0.165
   92    HH   TYR  11           HH       TYR  11 -29.361   3.375  -0.077
   93    HA   PRO  12           HA       PRO  12 -35.996  -1.556   3.988
   94   1HB   PRO  12          2HB       PRO  12 -36.336   1.168   3.645
   95   2HB   PRO  12          1HB       PRO  12 -35.616   0.416   5.070
   96   1HG   PRO  12          2HG       PRO  12 -34.274   1.655   2.705
   97   2HG   PRO  12          1HG       PRO  12 -33.857   1.777   4.425
   98   1HD   PRO  12          2HD       PRO  12 -32.506   0.170   2.776
   99   2HD   PRO  12          1HD       PRO  12 -32.831  -0.301   4.450
  100    H    VAL  13           H        VAL  13 -35.451  -2.353   1.302
  101    HA   VAL  13           HA       VAL  13 -36.173  -1.849  -0.953
  102    HB   VAL  13           HB       VAL  13 -38.327  -3.143   0.685
  103   1HG1  VAL  13          1HG1      VAL  13 -38.216  -2.515  -2.190
  104   2HG1  VAL  13          3HG1      VAL  13 -38.682  -4.169  -1.797
  105   3HG1  VAL  13          2HG1      VAL  13 -39.606  -2.815  -1.149
  106   1HG2  VAL  13          1HG2      VAL  13 -35.936  -4.109   0.482
  107   2HG2  VAL  13          3HG2      VAL  13 -37.314  -5.180   0.233
  108   3HG2  VAL  13          2HG2      VAL  13 -36.431  -4.543  -1.154
  109    H    SER  14           H        SER  14 -36.343   0.436  -1.047
  110    HA   SER  14           HA       SER  14 -38.876   1.358  -1.831
  111   1HB   SER  14          2HB       SER  14 -39.647   2.650  -0.091
  112   2HB   SER  14          1HB       SER  14 -38.871   1.360   0.826
  113    HG   SER  14           HG       SER  14 -38.378   3.863   1.075
  114    H    LYS  15           H        LYS  15 -35.895   1.334  -2.384
  115    HA   LYS  15           HA       LYS  15 -35.770   3.776  -3.782
  116   1HB   LYS  15          2HB       LYS  15 -34.641   3.742  -1.060
  117   2HB   LYS  15          1HB       LYS  15 -33.510   4.300  -2.281
  118   1HG   LYS  15          2HG       LYS  15 -35.515   5.839  -2.997
  119   2HG   LYS  15          1HG       LYS  15 -36.056   5.530  -1.348
  120   1HD   LYS  15          2HD       LYS  15 -34.011   6.413  -0.453
  121   2HD   LYS  15          1HD       LYS  15 -33.319   6.563  -2.070
  122   1HE   LYS  15          2HE       LYS  15 -35.853   7.979  -1.313
  123   2HE   LYS  15          1HE       LYS  15 -34.274   8.674  -0.955
  124   1HZ   LYS  15          1HZ       LYS  15 -35.021   7.792  -3.680
  125   2HZ   LYS  15          3HZ       LYS  15 -35.355   9.353  -3.119
  126   3HZ   LYS  15          2HZ       LYS  15 -33.755   8.816  -3.221
  127    H    CYS  16           H        CYS  16 -35.066   2.732  -5.533
  128    HA   CYS  16           HA       CYS  16 -32.344   1.991  -5.744
  129   1HB   CYS  16          2HB       CYS  16 -34.242  -0.106  -5.037
  130   2HB   CYS  16          1HB       CYS  16 -33.355  -0.482  -6.510
  131    H    GLN  17           H        GLN  17 -35.145   3.026  -7.047
  132    HA   GLN  17           HA       GLN  17 -34.923   1.943  -9.691
  133   1HB   GLN  17          2HB       GLN  17 -36.555   4.199  -8.533
  134   2HB   GLN  17          1HB       GLN  17 -36.639   3.715 -10.223
  135   1HG   GLN  17          2HG       GLN  17 -37.665   1.722  -9.746
  136   2HG   GLN  17          1HG       GLN  17 -37.026   1.667  -8.103
  137   1HE2  GLN  17          2HE2      GLN  17 -40.072   4.337  -8.661
  138   2HE2  GLN  17          1HE2      GLN  17 -38.726   4.291  -9.743
  139    H    LEU  18           H        LEU  18 -32.491   2.818  -9.168
  140    HA   LEU  18           HA       LEU  18 -31.987   4.729 -11.213
  141   1HB   LEU  18          2HB       LEU  18 -31.618   5.531  -8.332
  142   2HB   LEU  18          1HB       LEU  18 -30.619   6.216  -9.598
  143    HG   LEU  18           HG       LEU  18 -33.127   6.616 -10.615
  144   1HD1  LEU  18          3HD1      LEU  18 -33.855   5.848  -8.191
  145   2HD1  LEU  18          2HD1      LEU  18 -33.482   7.527  -7.810
  146   3HD1  LEU  18          1HD1      LEU  18 -34.687   7.148  -9.040
  147   1HD2  LEU  18          1HD2      LEU  18 -31.404   8.417  -8.932
  148   2HD2  LEU  18          3HD2      LEU  18 -31.463   8.301 -10.691
  149   3HD2  LEU  18          2HD2      LEU  18 -32.829   8.980  -9.806
  150    H    ALA  19           H        ALA  19 -29.610   5.018  -8.872
  151    HA   ALA  19           HA       ALA  19 -28.208   2.697  -8.754
  152   1HB   ALA  19          1HB       ALA  19 -28.007   3.935 -11.449
  153   2HB   ALA  19          3HB       ALA  19 -26.556   3.209 -10.758
  154   3HB   ALA  19          2HB       ALA  19 -28.007   2.234 -10.983
  155    H    ASN  20           H        ASN  20 -28.428   4.936  -7.212
  156    HA   ASN  20           HA       ASN  20 -25.645   5.862  -7.127
  157   1HB   ASN  20          2HB       ASN  20 -26.805   7.673  -8.179
  158   2HB   ASN  20          1HB       ASN  20 -28.100   7.610  -6.987
  159   1HD2  ASN  20          2HD2      ASN  20 -24.534   8.823  -5.428
  160   2HD2  ASN  20          1HD2      ASN  20 -24.662   7.353  -6.327
  161    H    GLN  21           H        GLN  21 -28.683   6.315  -5.278
  162    HA   GLN  21           HA       GLN  21 -27.694   6.699  -2.798
  163   1HB   GLN  21          2HB       GLN  21 -30.111   6.561  -3.365
  164   2HB   GLN  21          1HB       GLN  21 -29.976   4.808  -3.403
  165   1HG   GLN  21          2HG       GLN  21 -30.892   5.359  -1.308
  166   2HG   GLN  21          1HG       GLN  21 -29.208   4.928  -1.009
  167   1HE2  GLN  21          2HE2      GLN  21 -29.072   8.863  -1.139
  168   2HE2  GLN  21          1HE2      GLN  21 -29.076   7.802  -2.503
  169    H    CYS  22           H        CYS  22 -28.678   3.401  -3.713
  170    HA   CYS  22           HA       CYS  22 -27.148   2.160  -1.711
  171   1HB   CYS  22          2HB       CYS  22 -28.610   1.231  -4.136
  172   2HB   CYS  22          1HB       CYS  22 -27.493   0.113  -3.357
  173    H    ASN  23           H        ASN  23 -26.489   2.652  -5.166
  174    HA   ASN  23           HA       ASN  23 -24.159   1.208  -5.439
  175   1HB   ASN  23          2HB       ASN  23 -25.479   2.622  -7.175
  176   2HB   ASN  23          1HB       ASN  23 -24.415   3.934  -6.679
  177   1HD2  ASN  23          2HD2      ASN  23 -22.556   2.719  -9.428
  178   2HD2  ASN  23          1HD2      ASN  23 -23.799   3.825  -8.962
  179    H    TYR  24           H        TYR  24 -24.189   4.732  -4.893
  180    HA   TYR  24           HA       TYR  24 -21.529   5.020  -4.236
  181   1HB   TYR  24          2HB       TYR  24 -22.344   7.127  -4.332
  182   2HB   TYR  24          1HB       TYR  24 -23.967   6.598  -3.913
  183    HD1  TYR  24           HD1      TYR  24 -20.723   6.630  -2.063
  184    HD2  TYR  24           HD2      TYR  24 -24.796   7.846  -2.169
  185    HE1  TYR  24           HE1      TYR  24 -20.473   7.637   0.162
  186    HE2  TYR  24           HE2      TYR  24 -24.559   8.858   0.054
  187    HH   TYR  24           HH       TYR  24 -21.430   8.942   1.714
  188    H    ASP  25           H        ASP  25 -24.262   4.458  -1.992
  189    HA   ASP  25           HA       ASP  25 -22.973   4.455   0.408
  190   1HB   ASP  25          2HB       ASP  25 -25.238   2.845  -0.679
  191   2HB   ASP  25          1HB       ASP  25 -24.549   2.337   0.858
  192    H    CYS  26           H        CYS  26 -23.279   1.577  -1.703
  193    HA   CYS  26           HA       CYS  26 -21.528  -0.040  -0.224
  194   1HB   CYS  26          2HB       CYS  26 -22.098  -0.098  -3.200
  195   2HB   CYS  26          1HB       CYS  26 -21.305  -1.383  -2.294
  196    H    LYS  27           H        LYS  27 -20.964   2.132  -2.960
  197    HA   LYS  27           HA       LYS  27 -18.235   1.679  -3.332
  198   1HB   LYS  27          2HB       LYS  27 -19.995   3.147  -4.646
  199   2HB   LYS  27          1HB       LYS  27 -19.355   4.436  -3.637
  200   1HG   LYS  27          2HG       LYS  27 -17.173   4.165  -4.525
  201   2HG   LYS  27          1HG       LYS  27 -17.623   2.665  -5.340
  202   1HD   LYS  27          2HD       LYS  27 -18.957   3.799  -6.915
  203   2HD   LYS  27          1HD       LYS  27 -18.968   5.282  -5.958
  204   1HE   LYS  27          2HE       LYS  27 -17.484   5.337  -7.978
  205   2HE   LYS  27          1HE       LYS  27 -16.681   5.714  -6.454
  206   1HZ   LYS  27          3HZ       LYS  27 -16.352   3.048  -6.638
  207   2HZ   LYS  27          2HZ       LYS  27 -16.253   3.510  -8.262
  208   3HZ   LYS  27          1HZ       LYS  27 -15.206   4.196  -7.125
  209    H    LEU  28           H        LEU  28 -19.664   2.591  -0.571
  210    HA   LEU  28           HA       LEU  28 -17.240   3.414   0.674
  211   1HB   LEU  28          2HB       LEU  28 -18.276   5.517  -0.478
  212   2HB   LEU  28          1HB       LEU  28 -19.427   5.461   0.843
  213    HG   LEU  28           HG       LEU  28 -17.323   5.445   2.367
  214   1HD1  LEU  28          1HD1      LEU  28 -16.183   6.528  -0.205
  215   2HD1  LEU  28          3HD1      LEU  28 -15.422   6.672   1.380
  216   3HD1  LEU  28          2HD1      LEU  28 -15.659   5.081   0.656
  217   1HD2  LEU  28          1HD2      LEU  28 -18.976   7.274   2.163
  218   2HD2  LEU  28          3HD2      LEU  28 -17.334   7.853   2.447
  219   3HD2  LEU  28          2HD2      LEU  28 -18.033   7.938   0.830
  220    H    ASP  29           H        ASP  29 -19.309   4.956   2.540
  221    HA   ASP  29           HA       ASP  29 -20.057   4.388   4.649
  222   1HB   ASP  29          2HB       ASP  29 -21.848   3.054   2.653
  223   2HB   ASP  29          1HB       ASP  29 -22.182   2.906   4.373
  224    H    LYS  30           H        LYS  30 -20.433   1.276   2.940
  225    HA   LYS  30           HA       LYS  30 -19.556  -0.141   5.317
  226   1HB   LYS  30          2HB       LYS  30 -20.727  -0.950   2.671
  227   2HB   LYS  30          1HB       LYS  30 -19.965  -2.149   3.704
  228   1HG   LYS  30          2HG       LYS  30 -22.406  -2.048   3.967
  229   2HG   LYS  30          1HG       LYS  30 -21.537  -1.713   5.465
  230   1HD   LYS  30          2HD       LYS  30 -22.246   0.445   5.553
  231   2HD   LYS  30          1HD       LYS  30 -22.208   0.640   3.800
  232   1HE   LYS  30          2HE       LYS  30 -24.266  -1.169   4.948
  233   2HE   LYS  30          1HE       LYS  30 -24.486   0.571   5.148
  234   1HZ   LYS  30          1HZ       LYS  30 -24.016   0.650   2.642
  235   2HZ   LYS  30          3HZ       LYS  30 -24.377  -1.002   2.658
  236   3HZ   LYS  30          2HZ       LYS  30 -25.537   0.123   3.157
  237    H    HIS  31           H        HIS  31 -18.098   1.301   2.722
  238    HA   HIS  31           HA       HIS  31 -15.894   1.363   2.117
  239   1HB   HIS  31          2HB       HIS  31 -15.271  -1.161   3.594
  240   2HB   HIS  31          1HB       HIS  31 -14.270   0.266   3.349
  241    HD1  HIS  31           HD1      HIS  31 -15.396  -1.324   6.074
  242    HD2  HIS  31           HD2      HIS  31 -16.187   2.518   4.707
  243    HE1  HIS  31           HE1      HIS  31 -16.121  -0.026   8.102
  244    HE2  HIS  31           HE2      HIS  31 -16.706   2.264   7.228
  245    H    ALA  32           H        ALA  32 -17.916   0.014   0.578
  246    HA   ALA  32           HA       ALA  32 -16.580  -2.342  -0.500
  247   1HB   ALA  32          3HB       ALA  32 -19.247  -1.638  -0.246
  248   2HB   ALA  32          2HB       ALA  32 -18.935  -1.456  -1.972
  249   3HB   ALA  32          1HB       ALA  32 -18.614  -2.995  -1.176
  250    H    ARG  33           H        ARG  33 -16.869  -2.394  -3.078
  251    HA   ARG  33           HA       ARG  33 -15.295  -0.114  -4.051
  252   1HB   ARG  33          2HB       ARG  33 -15.738  -2.880  -5.187
  253   2HB   ARG  33          1HB       ARG  33 -14.784  -1.628  -5.972
  254   1HG   ARG  33          2HG       ARG  33 -13.337  -1.588  -3.916
  255   2HG   ARG  33          1HG       ARG  33 -14.206  -3.024  -3.373
  256   1HD   ARG  33          2HD       ARG  33 -13.558  -3.862  -5.814
  257   2HD   ARG  33          1HD       ARG  33 -12.249  -2.703  -5.585
  258    HE   ARG  33           HE       ARG  33 -12.578  -5.235  -4.263
  259   1HH1  ARG  33          1HH2      ARG  33 -11.134  -2.073  -4.074
  260   2HH1  ARG  33          2HH2      ARG  33  -9.871  -2.572  -2.998
  261   1HH2  ARG  33          2HH1      ARG  33 -10.913  -5.904  -2.850
  262   2HH2  ARG  33          1HH1      ARG  33  -9.745  -4.747  -2.303
  263    H    SER  34           H        SER  34 -18.300  -1.798  -4.444
  264    HA   SER  34           HA       SER  34 -19.575   0.340  -5.740
  265   1HB   SER  34          2HB       SER  34 -19.902  -0.531  -7.974
  266   2HB   SER  34          1HB       SER  34 -18.170  -0.442  -7.659
  267    HG   SER  34           HG       SER  34 -18.206  -2.462  -8.243
  268    H    GLY  35           H        GLY  35 -21.490  -1.158  -7.234
  269   1HA   GLY  35          2HA       GLY  35 -22.545  -3.410  -6.088
  270   2HA   GLY  35          1HA       GLY  35 -23.091  -2.102  -5.050
  271    H    GLU  36           H        GLU  36 -25.128  -3.251  -5.941
  272    HA   GLU  36           HA       GLU  36 -26.470  -1.434  -7.600
  273   1HB   GLU  36          2HB       GLU  36 -24.913  -3.034  -9.144
  274   2HB   GLU  36          1HB       GLU  36 -26.387  -3.990  -9.096
  275   1HG   GLU  36          2HG       GLU  36 -27.639  -1.996  -9.875
  276   2HG   GLU  36          1HG       GLU  36 -26.103  -1.147 -10.039
  277    H    CYS  37           H        CYS  37 -28.713  -2.049  -7.974
  278    HA   CYS  37           HA       CYS  37 -29.669  -3.765  -5.837
  279   1HB   CYS  37          2HB       CYS  37 -31.335  -2.137  -7.752
  280   2HB   CYS  37          1HB       CYS  37 -31.806  -2.757  -6.173
  281    H    PHE  38           H        PHE  38 -31.072  -5.503  -6.100
  282    HA   PHE  38           HA       PHE  38 -31.480  -6.499  -8.833
  283   1HB   PHE  38          2HB       PHE  38 -29.993  -7.878  -6.625
  284   2HB   PHE  38          1HB       PHE  38 -30.912  -8.838  -7.778
  285    HD1  PHE  38           HD2      PHE  38 -28.104  -6.477  -7.408
  286    HD2  PHE  38           HD1      PHE  38 -30.135  -9.188  -9.984
  287    HE1  PHE  38           HE2      PHE  38 -26.219  -6.383  -8.988
  288    HE2  PHE  38           HE1      PHE  38 -28.255  -9.100 -11.569
  289    HZ   PHE  38           HZ       PHE  38 -26.293  -7.697 -11.070
  290    H    TYR  39           H        TYR  39 -33.452  -7.342  -9.149
  291    HA   TYR  39           HA       TYR  39 -35.267  -7.433  -6.884
  292   1HB   TYR  39          2HB       TYR  39 -35.676  -7.528  -9.862
  293   2HB   TYR  39          1HB       TYR  39 -36.984  -7.874  -8.735
  294    HD1  TYR  39           HD1      TYR  39 -34.524  -5.263  -9.692
  295    HD2  TYR  39           HD2      TYR  39 -38.221  -6.121  -7.759
  296    HE1  TYR  39           HE1      TYR  39 -34.974  -2.854  -9.498
  297    HE2  TYR  39           HE2      TYR  39 -38.678  -3.711  -7.564
  298    HH   TYR  39           HH       TYR  39 -36.487  -1.394  -7.791
  299    H    ASP  40           H        ASP  40 -36.280  -9.229  -6.112
  300    HA   ASP  40           HA       ASP  40 -35.165 -11.787  -6.970
  301   1HB   ASP  40          2HB       ASP  40 -36.504 -12.569  -4.871
  302   2HB   ASP  40          1HB       ASP  40 -35.021 -11.646  -4.646
  303    H    GLU  41           H        GLU  41 -36.322 -11.707  -8.937
  304    HA   GLU  41           HA       GLU  41 -38.275 -11.785 -10.206
  305   1HB   GLU  41          2HB       GLU  41 -38.969 -14.330  -9.974
  306   2HB   GLU  41          1HB       GLU  41 -37.427 -13.854 -10.667
  307   1HG   GLU  41          2HG       GLU  41 -36.317 -14.257  -8.555
  308   2HG   GLU  41          1HG       GLU  41 -37.859 -14.667  -7.803
  309    H    LYS  42           H        LYS  42 -39.158 -10.428  -8.009
  310    HA   LYS  42           HA       LYS  42 -41.858 -11.509  -7.716
  311   1HB   LYS  42          2HB       LYS  42 -39.965 -10.922  -5.478
  312   2HB   LYS  42          1HB       LYS  42 -41.685 -10.630  -5.244
  313   1HG   LYS  42          2HG       LYS  42 -42.195 -12.928  -5.730
  314   2HG   LYS  42          1HG       LYS  42 -40.509 -13.251  -6.137
  315   1HD   LYS  42          2HD       LYS  42 -41.075 -14.055  -3.899
  316   2HD   LYS  42          1HD       LYS  42 -39.848 -12.791  -3.848
  317   1HE   LYS  42          2HE       LYS  42 -42.661 -11.903  -3.616
  318   2HE   LYS  42          1HE       LYS  42 -42.014 -12.815  -2.253
  319   1HZ   LYS  42          1HZ       LYS  42 -40.031 -11.090  -2.708
  320   2HZ   LYS  42          3HZ       LYS  42 -41.357 -10.148  -3.170
  321   3HZ   LYS  42          2HZ       LYS  42 -41.289 -10.806  -1.614
  322    H    ARG  43           H        ARG  43 -39.947  -8.789  -6.435
  323    HA   ARG  43           HA       ARG  43 -40.804  -6.747  -8.011
  324   1HB   ARG  43          2HB       ARG  43 -42.880  -7.541  -6.030
  325   2HB   ARG  43          1HB       ARG  43 -42.589  -5.821  -6.211
  326   1HG   ARG  43          2HG       ARG  43 -42.844  -6.986  -8.821
  327   2HG   ARG  43          1HG       ARG  43 -44.203  -7.502  -7.827
  328   1HD   ARG  43          2HD       ARG  43 -43.319  -4.636  -8.146
  329   2HD   ARG  43          1HD       ARG  43 -44.596  -5.394  -9.098
  330    HE   ARG  43           HE       ARG  43 -45.385  -5.844  -6.552
  331   1HH1  ARG  43          1HH2      ARG  43 -44.403  -2.980  -8.274
  332   2HH1  ARG  43          2HH2      ARG  43 -45.395  -1.916  -7.332
  333   1HH2  ARG  43          2HH1      ARG  43 -46.695  -4.453  -5.305
  334   2HH2  ARG  43          1HH1      ARG  43 -46.696  -2.754  -5.641
  335    H    ASN  44           H        ASN  44 -39.867  -7.946  -4.946
  336    HA   ASN  44           HA       ASN  44 -39.026  -5.344  -3.950
  337   1HB   ASN  44          2HB       ASN  44 -38.840  -8.148  -2.831
  338   2HB   ASN  44          1HB       ASN  44 -38.109  -6.756  -2.037
  339   1HD2  ASN  44          2HD2      ASN  44 -41.547  -7.505  -0.726
  340   2HD2  ASN  44          1HD2      ASN  44 -40.159  -8.489  -1.027
  341    H    LEU  45           H        LEU  45 -36.634  -5.342  -3.057
  342    HA   LEU  45           HA       LEU  45 -34.839  -6.849  -4.775
  343   1HB   LEU  45          2HB       LEU  45 -33.646  -4.736  -5.450
  344   2HB   LEU  45          1HB       LEU  45 -35.189  -5.036  -6.224
  345    HG   LEU  45           HG       LEU  45 -34.886  -2.672  -5.626
  346   1HD1  LEU  45          3HD1      LEU  45 -37.135  -4.032  -5.491
  347   2HD1  LEU  45          2HD1      LEU  45 -37.017  -3.604  -3.784
  348   3HD1  LEU  45          1HD1      LEU  45 -37.051  -2.337  -5.010
  349   1HD2  LEU  45          1HD2      LEU  45 -33.544  -3.336  -3.513
  350   2HD2  LEU  45          3HD2      LEU  45 -34.553  -1.891  -3.485
  351   3HD2  LEU  45          2HD2      LEU  45 -35.127  -3.381  -2.736
  352    H    GLN  46           H        GLN  46 -32.537  -6.310  -4.357
  353    HA   GLN  46           HA       GLN  46 -32.028  -5.445  -1.601
  354   1HB   GLN  46          2HB       GLN  46 -30.870  -7.959  -2.833
  355   2HB   GLN  46          1HB       GLN  46 -30.506  -7.328  -1.232
  356   1HG   GLN  46          2HG       GLN  46 -32.457  -8.071  -0.338
  357   2HG   GLN  46          1HG       GLN  46 -33.347  -7.890  -1.849
  358   1HE2  GLN  46          2HE2      GLN  46 -32.684 -11.499  -0.885
  359   2HE2  GLN  46          1HE2      GLN  46 -33.181 -10.135   0.052
  360    H    CYS  47           H        CYS  47 -30.106  -4.398  -1.327
  361    HA   CYS  47           HA       CYS  47 -28.754  -3.595  -3.778
  362   1HB   CYS  47          2HB       CYS  47 -28.670  -2.517  -0.962
  363   2HB   CYS  47          1HB       CYS  47 -27.695  -1.879  -2.282
  364    H    ILE  48           H        ILE  48 -27.265  -5.003  -4.393
  365    HA   ILE  48           HA       ILE  48 -25.591  -6.380  -2.487
  366    HB   ILE  48           HB       ILE  48 -25.585  -6.419  -5.503
  367   1HG1  ILE  48          2HG1      ILE  48 -26.654  -8.377  -3.456
  368   2HG1  ILE  48          1HG1      ILE  48 -27.617  -7.370  -4.533
  369   1HG2  ILE  48          3HG2      ILE  48 -24.033  -8.050  -3.502
  370   2HG2  ILE  48          2HG2      ILE  48 -24.196  -8.475  -5.206
  371   3HG2  ILE  48          1HG2      ILE  48 -23.389  -6.976  -4.745
  372   1HD1  ILE  48          3HD1      ILE  48 -26.048  -8.703  -6.301
  373   2HD1  ILE  48          2HD1      ILE  48 -26.266  -9.910  -5.034
  374   3HD1  ILE  48          1HD1      ILE  48 -27.672  -9.191  -5.819
  375    H    CYS  49           H        CYS  49 -23.763  -5.597  -1.718
  376    HA   CYS  49           HA       CYS  49 -22.444  -3.380  -3.090
  377   1HB   CYS  49          2HB       CYS  49 -21.978  -4.611  -0.364
  378   2HB   CYS  49          1HB       CYS  49 -21.072  -3.246  -1.009
  379    H    ASP  50           H        ASP  50 -20.904  -3.845  -4.513
  380    HA   ASP  50           HA       ASP  50 -19.583  -6.437  -4.413
  381   1HB   ASP  50          2HB       ASP  50 -19.927  -4.305  -6.472
  382   2HB   ASP  50          1HB       ASP  50 -18.529  -5.368  -6.611
  383    H    TYR  51           H        TYR  51 -17.731  -6.736  -3.482
  384    HA   TYR  51           HA       TYR  51 -16.030  -4.451  -2.814
  385   1HB   TYR  51          2HB       TYR  51 -16.242  -7.275  -1.800
  386   2HB   TYR  51          1HB       TYR  51 -14.863  -6.255  -1.397
  387    HD1  TYR  51           HD1      TYR  51 -18.486  -6.728  -0.969
  388    HD2  TYR  51           HD2      TYR  51 -15.086  -4.436   0.167
  389    HE1  TYR  51           HE1      TYR  51 -19.773  -5.745   0.879
  390    HE2  TYR  51           HE2      TYR  51 -16.365  -3.449   2.021
  391    HH   TYR  51           HH       TYR  51 -18.639  -4.431   3.418
  392    H    CYS  52           H        CYS  52 -16.308  -6.109  -5.441
  393    HA   CYS  52           HA       CYS  52 -13.431  -6.194  -5.961
  394   1HB   CYS  52          2HB       CYS  52 -15.318  -8.457  -6.646
  395   2HB   CYS  52          1HB       CYS  52 -13.627  -8.358  -7.122
  396    H    GLU  53           H        GLU  53 -15.534  -7.710  -8.202
  397    HA   GLU  53           HA       GLU  53 -16.033  -7.201 -10.368
  398   1HB   GLU  53          2HB       GLU  53 -16.916  -4.782  -8.825
  399   2HB   GLU  53          1HB       GLU  53 -17.117  -4.848 -10.571
  400   1HG   GLU  53          2HG       GLU  53 -18.102  -7.150  -8.985
  401   2HG   GLU  53          1HG       GLU  53 -19.011  -5.643  -8.901
  402    H    TYR  54           HN       TYR  54 -15.348  -3.835  -9.744
  403    HA   TYR  54           HA       TYR  54 -12.725  -3.994 -10.976
  404   1HB   TYR  54          2HB       TYR  54 -14.972  -2.419 -12.246
  405   2HB   TYR  54          1HB       TYR  54 -13.286  -2.384 -12.752
  406    HD1  TYR  54           HD1      TYR  54 -12.248  -4.589 -13.549
  407    HD2  TYR  54           HD2      TYR  54 -16.442  -4.002 -13.139
  408    HE1  TYR  54           HE1      TYR  54 -12.655  -6.488 -15.057
  409    HE2  TYR  54           HE2      TYR  54 -16.860  -5.902 -14.646
  410    HH   TYR  54           HH       TYR  54 -15.707  -7.925 -15.425
   
  No H/Q in entry =         410
  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1 -16.697 -16.026   3.357
    2    HA   PCA   1           HA       PCA   1 -14.779 -17.670   3.206
    3   1HB   PCA   1          1HB       PCA   1 -15.389 -19.705   2.426
    4   2HB   PCA   1          2HB       PCA   1 -15.535 -19.014   0.795
    5   1HG   PCA   1          1HG       PCA   1 -17.656 -19.824   2.548
    6   2HG   PCA   1          2HG       PCA   1 -17.810 -19.003   0.984
    7    H    ASP   2           H        ASP   2 -16.289 -17.111   0.019
    8    HA   ASP   2           HA       ASP   2 -14.291 -15.051  -0.556
    9   1HB   ASP   2          2HB       ASP   2 -14.043 -16.198  -2.877
   10   2HB   ASP   2          1HB       ASP   2 -13.130 -16.830  -1.511
   11    H    LYS   3           H        LYS   3 -16.986 -14.662  -0.019
   12    HA   LYS   3           HA       LYS   3 -18.460 -14.472  -2.486
   13   1HB   LYS   3          2HB       LYS   3 -19.037 -13.378   0.274
   14   2HB   LYS   3          1HB       LYS   3 -20.151 -13.298  -1.084
   15   1HG   LYS   3          2HG       LYS   3 -19.076 -15.945  -0.228
   16   2HG   LYS   3          1HG       LYS   3 -20.373 -15.186   0.697
   17   1HD   LYS   3          2HD       LYS   3 -21.783 -15.097  -1.247
   18   2HD   LYS   3          1HD       LYS   3 -20.469 -15.662  -2.279
   19   1HE   LYS   3          2HE       LYS   3 -20.947 -17.496  -0.079
   20   2HE   LYS   3          1HE       LYS   3 -22.410 -17.236  -1.027
   21   1HZ   LYS   3          1HZ       LYS   3 -20.637 -17.579  -2.969
   22   2HZ   LYS   3          3HZ       LYS   3 -19.922 -18.537  -1.773
   23   3HZ   LYS   3          2HZ       LYS   3 -21.505 -18.853  -2.276
   24    H    CYS   4           H        CYS   4 -18.286 -12.899  -3.922
   25    HA   CYS   4           HA       CYS   4 -16.881 -10.446  -3.189
   26   1HB   CYS   4          2HB       CYS   4 -16.912 -12.087  -5.492
   27   2HB   CYS   4          1HB       CYS   4 -17.588 -10.535  -5.977
   28    H    LYS   5           H        LYS   5 -19.917 -11.315  -2.868
   29    HA   LYS   5           HA       LYS   5 -20.875  -8.615  -3.264
   30   1HB   LYS   5          2HB       LYS   5 -22.580  -9.008  -4.749
   31   2HB   LYS   5          1HB       LYS   5 -21.373 -10.131  -5.351
   32   1HG   LYS   5          2HG       LYS   5 -23.632 -10.907  -3.508
   33   2HG   LYS   5          1HG       LYS   5 -23.669 -11.049  -5.261
   34   1HD   LYS   5          2HD       LYS   5 -21.387 -12.264  -3.790
   35   2HD   LYS   5          1HD       LYS   5 -22.952 -13.082  -3.754
   36   1HE   LYS   5          2HE       LYS   5 -21.800 -12.144  -6.347
   37   2HE   LYS   5          1HE       LYS   5 -21.235 -13.651  -5.627
   38   1HZ   LYS   5          3HZ       LYS   5 -24.117 -13.139  -6.001
   39   2HZ   LYS   5          2HZ       LYS   5 -23.176 -13.735  -7.273
   40   3HZ   LYS   5          1HZ       LYS   5 -23.316 -14.621  -5.838
   41    H    LYS   6           H        LYS   6 -22.247  -7.970  -1.718
   42    HA   LYS   6           HA       LYS   6 -23.733  -9.930  -0.181
   43   1HB   LYS   6          2HB       LYS   6 -22.705  -8.611   1.931
   44   2HB   LYS   6          1HB       LYS   6 -22.022 -10.101   1.306
   45   1HG   LYS   6          2HG       LYS   6 -20.396  -8.848   0.022
   46   2HG   LYS   6          1HG       LYS   6 -21.090  -7.330   0.597
   47   1HD   LYS   6          2HD       LYS   6 -20.231  -9.331   2.626
   48   2HD   LYS   6          1HD       LYS   6 -18.977  -8.438   1.763
   49   1HE   LYS   6          2HE       LYS   6 -19.790  -7.442   3.953
   50   2HE   LYS   6          1HE       LYS   6 -19.753  -6.367   2.556
   51   1HZ   LYS   6          3HZ       LYS   6 -22.196  -7.807   3.418
   52   2HZ   LYS   6          2HZ       LYS   6 -21.807  -6.252   3.957
   53   3HZ   LYS   6          1HZ       LYS   6 -22.081  -6.532   2.311
   54    H    VAL   7           H        VAL   7 -25.634  -9.154   0.470
   55    HA   VAL   7           HA       VAL   7 -26.510  -6.596  -0.336
   56    HB   VAL   7           HB       VAL   7 -28.589  -7.330   0.165
   57   1HG1  VAL   7          2HG1      VAL   7 -27.324  -9.306  -0.783
   58   2HG1  VAL   7          1HG1      VAL   7 -27.288  -9.946   0.860
   59   3HG1  VAL   7          3HG1      VAL   7 -28.833  -9.670   0.056
   60   1HG2  VAL   7          1HG2      VAL   7 -27.499  -8.312   2.801
   61   2HG2  VAL   7          3HG2      VAL   7 -28.534  -6.912   2.513
   62   3HG2  VAL   7          2HG2      VAL   7 -29.173  -8.542   2.293
   63    H    TYR   8           H        TYR   8 -26.886  -4.725   0.770
   64    HA   TYR   8           HA       TYR   8 -25.218  -3.901   2.766
   65   1HB   TYR   8          2HB       TYR   8 -26.866  -2.559   1.341
   66   2HB   TYR   8          1HB       TYR   8 -28.059  -2.918   2.570
   67    HD1  TYR   8           HD2      TYR   8 -26.039  -2.618   4.961
   68    HD2  TYR   8           HD1      TYR   8 -26.941  -0.208   1.575
   69    HE1  TYR   8           HE2      TYR   8 -25.327  -0.635   6.198
   70    HE2  TYR   8           HE1      TYR   8 -26.226   1.791   2.813
   71    HH   TYR   8           HH       TYR   8 -25.093   2.509   4.658
   72    H    GLU   9           H        GLU   9 -28.584  -4.093   3.644
   73    HA   GLU   9           HA       GLU   9 -28.489  -6.189   5.447
   74   1HB   GLU   9          2HB       GLU   9 -27.260  -3.778   6.432
   75   2HB   GLU   9          1HB       GLU   9 -28.675  -4.136   7.399
   76   1HG   GLU   9          2HG       GLU   9 -27.840  -6.279   7.975
   77   2HG   GLU   9          1HG       GLU   9 -26.536  -6.150   6.798
   78    H    ASN  10           H        ASN  10 -30.218  -4.949   7.471
   79    HA   ASN  10           HA       ASN  10 -32.691  -5.428   6.525
   80   1HB   ASN  10          2HB       ASN  10 -32.395  -3.002   8.253
   81   2HB   ASN  10          1HB       ASN  10 -33.556  -4.322   8.370
   82   1HD2  ASN  10          2HD2      ASN  10 -31.110  -4.582  11.129
   83   2HD2  ASN  10          1HD2      ASN  10 -32.211  -3.376  10.567
   84    H    TYR  11           H        TYR  11 -30.710  -2.701   5.749
   85    HA   TYR  11           HA       TYR  11 -31.582  -0.578   4.896
   86   1HB   TYR  11          2HB       TYR  11 -30.032  -2.234   3.498
   87   2HB   TYR  11          1HB       TYR  11 -31.422  -2.215   2.419
   88    HD1  TYR  11           HD2      TYR  11 -29.220   0.163   4.291
   89    HD2  TYR  11           HD1      TYR  11 -31.511  -0.577   0.782
   90    HE1  TYR  11           HE2      TYR  11 -28.456   2.303   3.345
   91    HE2  TYR  11           HE1      TYR  11 -30.766   1.565  -0.162
   92    HH   TYR  11           HH       TYR  11 -29.469   3.336   0.093
   93    HA   PRO  12           HA       PRO  12 -36.001  -1.549   4.093
   94   1HB   PRO  12          2HB       PRO  12 -37.041   0.721   5.131
   95   2HB   PRO  12          1HB       PRO  12 -36.576  -0.657   6.134
   96   1HG   PRO  12          2HG       PRO  12 -35.112   1.894   5.619
   97   2HG   PRO  12          1HG       PRO  12 -35.291   0.986   7.131
   98   1HD   PRO  12          2HD       PRO  12 -33.064   0.898   5.549
   99   2HD   PRO  12          1HD       PRO  12 -33.554  -0.421   6.631
  100    H    VAL  13           H        VAL  13 -34.613  -1.030   1.981
  101    HA   VAL  13           HA       VAL  13 -34.224   0.596   0.243
  102    HB   VAL  13           HB       VAL  13 -35.305  -1.435  -0.489
  103   1HG1  VAL  13          2HG1      VAL  13 -37.655  -0.245   0.793
  104   2HG1  VAL  13          1HG1      VAL  13 -37.993  -0.947  -0.789
  105   3HG1  VAL  13          3HG1      VAL  13 -37.268  -1.934   0.479
  106   1HG2  VAL  13          2HG2      VAL  13 -35.456   1.051  -1.827
  107   2HG2  VAL  13          1HG2      VAL  13 -35.441  -0.560  -2.539
  108   3HG2  VAL  13          3HG2      VAL  13 -36.974   0.218  -2.157
  109    H    SER  14           H        SER  14 -37.341   1.056  -0.648
  110    HA   SER  14           HA       SER  14 -38.866   2.779  -0.478
  111   1HB   SER  14          2HB       SER  14 -38.888   4.179   1.336
  112   2HB   SER  14          1HB       SER  14 -37.762   2.977   1.966
  113    HG   SER  14           HG       SER  14 -36.257   4.435   1.951
  114    H    LYS  15           H        LYS  15 -35.785   2.739  -1.554
  115    HA   LYS  15           HA       LYS  15 -36.210   4.810  -3.480
  116   1HB   LYS  15          2HB       LYS  15 -33.677   5.427  -2.146
  117   2HB   LYS  15          1HB       LYS  15 -34.967   6.510  -2.644
  118   1HG   LYS  15          2HG       LYS  15 -36.101   6.255  -0.596
  119   2HG   LYS  15          1HG       LYS  15 -35.138   4.847  -0.146
  120   1HD   LYS  15          2HD       LYS  15 -33.145   6.294  -0.017
  121   2HD   LYS  15          1HD       LYS  15 -34.163   7.690  -0.383
  122   1HE   LYS  15          2HE       LYS  15 -35.514   7.174   1.630
  123   2HE   LYS  15          1HE       LYS  15 -34.393   5.868   2.011
  124   1HZ   LYS  15          3HZ       LYS  15 -32.813   8.080   1.644
  125   2HZ   LYS  15          2HZ       LYS  15 -34.145   8.659   2.512
  126   3HZ   LYS  15          1HZ       LYS  15 -33.231   7.373   3.123
  127    H    CYS  16           H        CYS  16 -35.615   3.646  -5.211
  128    HA   CYS  16           HA       CYS  16 -32.920   2.949  -5.656
  129   1HB   CYS  16          2HB       CYS  16 -34.626   0.885  -4.466
  130   2HB   CYS  16          1HB       CYS  16 -33.837   0.360  -5.950
  131    H    GLN  17           H        GLN  17 -33.091   3.928  -7.589
  132    HA   GLN  17           HA       GLN  17 -34.048   2.461  -9.794
  133   1HB   GLN  17          2HB       GLN  17 -35.776   4.706  -8.797
  134   2HB   GLN  17          1HB       GLN  17 -35.672   4.385 -10.521
  135   1HG   GLN  17          2HG       GLN  17 -36.194   1.897  -9.604
  136   2HG   GLN  17          1HG       GLN  17 -37.025   2.867  -8.391
  137   1HE2  GLN  17          2HE2      GLN  17 -39.022   4.443 -11.096
  138   2HE2  GLN  17          1HE2      GLN  17 -37.843   5.000  -9.962
  139    H    LEU  18           H        LEU  18 -31.800   4.054  -8.681
  140    HA   LEU  18           HA       LEU  18 -30.867   5.181 -11.120
  141   1HB   LEU  18          2HB       LEU  18 -31.863   6.971  -8.942
  142   2HB   LEU  18          1HB       LEU  18 -30.427   7.458  -9.818
  143    HG   LEU  18           HG       LEU  18 -32.343   6.733 -11.774
  144   1HD1  LEU  18          1HD1      LEU  18 -33.501   8.521  -9.648
  145   2HD1  LEU  18          3HD1      LEU  18 -34.164   8.320 -11.270
  146   3HD1  LEU  18          2HD1      LEU  18 -34.115   6.949 -10.162
  147   1HD2  LEU  18          2HD2      LEU  18 -31.359   9.432 -10.870
  148   2HD2  LEU  18          1HD2      LEU  18 -30.626   8.399 -12.099
  149   3HD2  LEU  18          3HD2      LEU  18 -32.214   9.114 -12.379
  150    H    ALA  19           H        ALA  19 -28.643   5.521 -11.104
  151    HA   ALA  19           HA       ALA  19 -27.114   3.998  -9.349
  152   1HB   ALA  19          2HB       ALA  19 -26.454   6.147 -11.317
  153   2HB   ALA  19          1HB       ALA  19 -25.195   5.488 -10.273
  154   3HB   ALA  19          3HB       ALA  19 -26.077   4.424 -11.370
  155    H    ASN  20           H        ASN  20 -27.438   4.446  -7.194
  156    HA   ASN  20           HA       ASN  20 -25.872   6.487  -6.043
  157   1HB   ASN  20          2HB       ASN  20 -27.828   7.837  -6.887
  158   2HB   ASN  20          1HB       ASN  20 -28.844   6.946  -5.760
  159   1HD2  ASN  20          2HD2      ASN  20 -25.916   9.106  -3.923
  160   2HD2  ASN  20          1HD2      ASN  20 -25.539   7.994  -5.189
  161    H    GLN  21           H        GLN  21 -28.205   6.622  -3.942
  162    HA   GLN  21           HA       GLN  21 -27.826   5.688  -1.755
  163   1HB   GLN  21          2HB       GLN  21 -29.948   4.491  -3.462
  164   2HB   GLN  21          1HB       GLN  21 -29.696   3.799  -1.864
  165   1HG   GLN  21          2HG       GLN  21 -30.118   6.736  -2.310
  166   2HG   GLN  21          1HG       GLN  21 -31.442   5.603  -2.057
  167   1HE2  GLN  21          2HE2      GLN  21 -29.132   6.850   1.024
  168   2HE2  GLN  21          1HE2      GLN  21 -28.772   7.257  -0.616
  169    H    CYS  22           H        CYS  22 -28.624   2.682  -3.404
  170    HA   CYS  22           HA       CYS  22 -26.991   1.073  -1.846
  171   1HB   CYS  22          2HB       CYS  22 -27.734   0.537  -4.726
  172   2HB   CYS  22          1HB       CYS  22 -27.306  -0.661  -3.512
  173    H    ASN  23           H        ASN  23 -26.337   2.194  -5.170
  174    HA   ASN  23           HA       ASN  23 -23.770   1.203  -5.439
  175   1HB   ASN  23          2HB       ASN  23 -25.349   2.553  -7.092
  176   2HB   ASN  23          1HB       ASN  23 -24.372   3.914  -6.550
  177   1HD2  ASN  23          2HD2      ASN  23 -21.508   2.987  -8.305
  178   2HD2  ASN  23          1HD2      ASN  23 -22.193   3.990  -7.076
  179    H    TYR  24           H        TYR  24 -24.551   4.586  -4.637
  180    HA   TYR  24           HA       TYR  24 -22.020   5.404  -3.905
  181   1HB   TYR  24          2HB       TYR  24 -23.435   7.198  -4.024
  182   2HB   TYR  24          1HB       TYR  24 -24.779   6.322  -3.302
  183    HD1  TYR  24           HD1      TYR  24 -21.368   7.451  -2.240
  184    HD2  TYR  24           HD2      TYR  24 -25.506   7.153  -1.291
  185    HE1  TYR  24           HE1      TYR  24 -20.948   8.577  -0.094
  186    HE2  TYR  24           HE2      TYR  24 -25.099   8.283   0.855
  187    HH   TYR  24           HH       TYR  24 -21.845   9.036   1.951
  188    H    ASP  25           H        ASP  25 -24.566   4.128  -1.757
  189    HA   ASP  25           HA       ASP  25 -23.222   4.292   0.641
  190   1HB   ASP  25          2HB       ASP  25 -25.246   2.301  -0.365
  191   2HB   ASP  25          1HB       ASP  25 -24.597   2.207   1.269
  192    H    CYS  26           H        CYS  26 -23.343   1.369  -1.417
  193    HA   CYS  26           HA       CYS  26 -21.464  -0.101   0.005
  194   1HB   CYS  26          2HB       CYS  26 -21.936  -0.125  -2.987
  195   2HB   CYS  26          1HB       CYS  26 -21.150  -1.396  -2.063
  196    H    LYS  27           H        LYS  27 -21.026   2.252  -2.585
  197    HA   LYS  27           HA       LYS  27 -18.291   1.930  -3.010
  198   1HB   LYS  27          2HB       LYS  27 -20.336   3.687  -3.897
  199   2HB   LYS  27          1HB       LYS  27 -19.014   4.700  -3.355
  200   1HG   LYS  27          2HG       LYS  27 -18.364   4.426  -5.504
  201   2HG   LYS  27          1HG       LYS  27 -17.610   2.978  -4.844
  202   1HD   LYS  27          2HD       LYS  27 -20.283   3.151  -6.235
  203   2HD   LYS  27          1HD       LYS  27 -18.805   2.435  -6.880
  204   1HE   LYS  27          2HE       LYS  27 -20.298   1.469  -4.445
  205   2HE   LYS  27          1HE       LYS  27 -20.388   0.744  -6.046
  206   1HZ   LYS  27          1HZ       LYS  27 -17.717   0.853  -5.517
  207   2HZ   LYS  27          3HZ       LYS  27 -18.392   0.434  -4.022
  208   3HZ   LYS  27          2HZ       LYS  27 -18.698  -0.518  -5.386
  209    H    LEU  28           H        LEU  28 -19.550   2.655  -0.084
  210    HA   LEU  28           HA       LEU  28 -17.048   3.724   0.846
  211   1HB   LEU  28          2HB       LEU  28 -18.096   5.754  -0.013
  212   2HB   LEU  28          1HB       LEU  28 -19.508   5.466   0.986
  213    HG   LEU  28           HG       LEU  28 -16.921   5.643   2.425
  214   1HD1  LEU  28          1HD1      LEU  28 -18.165   8.004   1.039
  215   2HD1  LEU  28          3HD1      LEU  28 -17.085   8.151   2.425
  216   3HD1  LEU  28          2HD1      LEU  28 -16.502   7.427   0.927
  217   1HD2  LEU  28          3HD2      LEU  28 -19.311   5.389   3.377
  218   2HD2  LEU  28          2HD2      LEU  28 -18.206   6.531   4.141
  219   3HD2  LEU  28          1HD2      LEU  28 -19.456   7.114   3.041
  220    H    ASP  29           H        ASP  29 -20.416   2.959   1.581
  221    HA   ASP  29           HA       ASP  29 -20.084   2.904   4.395
  222   1HB   ASP  29          2HB       ASP  29 -22.139   1.605   2.598
  223   2HB   ASP  29          1HB       ASP  29 -22.219   1.570   4.357
  224    H    LYS  30           H        LYS  30 -19.953   0.401   1.895
  225    HA   LYS  30           HA       LYS  30 -18.884  -1.482   3.896
  226   1HB   LYS  30          2HB       LYS  30 -20.734  -1.777   1.662
  227   2HB   LYS  30          1HB       LYS  30 -19.418  -2.939   1.571
  228   1HG   LYS  30          2HG       LYS  30 -21.257  -3.915   2.750
  229   2HG   LYS  30          1HG       LYS  30 -19.921  -3.652   3.871
  230   1HD   LYS  30          2HD       LYS  30 -21.339  -2.546   5.211
  231   2HD   LYS  30          1HD       LYS  30 -21.461  -1.295   3.974
  232   1HE   LYS  30          2HE       LYS  30 -23.165  -3.778   4.009
  233   2HE   LYS  30          1HE       LYS  30 -23.642  -2.258   4.762
  234   1HZ   LYS  30          3HZ       LYS  30 -23.102  -1.322   2.402
  235   2HZ   LYS  30          2HZ       LYS  30 -23.378  -2.918   1.914
  236   3HZ   LYS  30          1HZ       LYS  30 -24.596  -2.055   2.710
  237    H    HIS  31           H        HIS  31 -17.672   0.713   1.990
  238    HA   HIS  31           HA       HIS  31 -15.836   0.955   0.635
  239   1HB   HIS  31          2HB       HIS  31 -14.484  -1.181   2.234
  240   2HB   HIS  31          1HB       HIS  31 -13.881   0.397   1.737
  241    HD1  HIS  31           HD1      HIS  31 -15.084  -1.352   4.624
  242    HD2  HIS  31           HD2      HIS  31 -15.272   2.567   3.257
  243    HE1  HIS  31           HE1      HIS  31 -15.639   0.037   6.644
  244    HE2  HIS  31           HE2      HIS  31 -15.650   2.415   5.812
  245    H    ALA  32           H        ALA  32 -17.598  -0.621  -0.640
  246    HA   ALA  32           HA       ALA  32 -16.323  -3.086  -1.479
  247   1HB   ALA  32          1HB       ALA  32 -18.977  -1.889  -1.673
  248   2HB   ALA  32          3HB       ALA  32 -18.483  -2.701  -3.156
  249   3HB   ALA  32          2HB       ALA  32 -18.513  -3.588  -1.632
  250    H    ARG  33           H        ARG  33 -16.645  -3.372  -4.075
  251    HA   ARG  33           HA       ARG  33 -14.951  -1.252  -5.218
  252   1HB   ARG  33          2HB       ARG  33 -14.560  -3.934  -5.208
  253   2HB   ARG  33          1HB       ARG  33 -15.393  -3.751  -6.746
  254   1HG   ARG  33          2HG       ARG  33 -12.984  -2.121  -5.984
  255   2HG   ARG  33          1HG       ARG  33 -12.872  -3.677  -6.803
  256   1HD   ARG  33          2HD       ARG  33 -12.794  -2.120  -8.536
  257   2HD   ARG  33          1HD       ARG  33 -14.470  -2.666  -8.532
  258    HE   ARG  33           HE       ARG  33 -14.718  -0.528  -7.034
  259   1HH1  ARG  33          1HH2      ARG  33 -12.769  -0.936  -9.891
  260   2HH1  ARG  33          2HH2      ARG  33 -12.902   0.721 -10.377
  261   1HH2  ARG  33          2HH1      ARG  33 -14.900   1.657  -7.662
  262   2HH2  ARG  33          1HH1      ARG  33 -14.114   2.197  -9.108
  263    H    SER  34           H        SER  34 -18.001  -2.896  -5.553
  264    HA   SER  34           HA       SER  34 -19.121  -0.822  -7.090
  265   1HB   SER  34          2HB       SER  34 -19.576  -2.621  -9.066
  266   2HB   SER  34          1HB       SER  34 -18.253  -1.456  -9.101
  267    HG   SER  34           HG       SER  34 -17.852  -3.921  -7.830
  268    H    GLY  35           H        GLY  35 -21.390  -1.182  -7.527
  269   1HA   GLY  35          2HA       GLY  35 -22.855  -3.461  -7.175
  270   2HA   GLY  35          1HA       GLY  35 -22.596  -2.868  -5.541
  271    H    GLU  36           H        GLU  36 -25.118  -3.041  -6.200
  272    HA   GLU  36           HA       GLU  36 -26.116  -0.439  -5.943
  273   1HB   GLU  36          2HB       GLU  36 -27.304  -0.224  -8.124
  274   2HB   GLU  36          1HB       GLU  36 -25.557  -0.101  -8.262
  275   1HG   GLU  36          2HG       GLU  36 -25.490  -2.470  -8.957
  276   2HG   GLU  36          1HG       GLU  36 -27.253  -2.490  -8.932
  277    H    CYS  37           H        CYS  37 -28.653  -0.743  -7.124
  278    HA   CYS  37           HA       CYS  37 -29.773  -2.746  -5.350
  279   1HB   CYS  37          2HB       CYS  37 -30.626  -0.227  -6.332
  280   2HB   CYS  37          1HB       CYS  37 -31.781  -1.410  -6.929
  281    H    PHE  38           H        PHE  38 -30.523  -4.698  -5.977
  282    HA   PHE  38           HA       PHE  38 -31.249  -5.132  -8.768
  283   1HB   PHE  38          2HB       PHE  38 -29.066  -6.659  -7.353
  284   2HB   PHE  38          1HB       PHE  38 -29.872  -7.257  -8.794
  285    HD1  PHE  38           HD1      PHE  38 -30.016  -5.140 -10.647
  286    HD2  PHE  38           HD2      PHE  38 -26.957  -5.919  -7.787
  287    HE1  PHE  38           HE1      PHE  38 -28.399  -3.934 -12.051
  288    HE2  PHE  38           HE2      PHE  38 -25.338  -4.718  -9.190
  289    HZ   PHE  38           HZ       PHE  38 -26.056  -3.720 -11.323
  290    H    TYR  39           H        TYR  39 -32.112  -7.336  -9.131
  291    HA   TYR  39           HA       TYR  39 -33.832  -8.113  -6.888
  292   1HB   TYR  39          2HB       TYR  39 -33.987  -8.554  -9.870
  293   2HB   TYR  39          1HB       TYR  39 -35.007  -9.444  -8.747
  294    HD1  TYR  39           HD1      TYR  39 -34.271  -6.110 -10.129
  295    HD2  TYR  39           HD2      TYR  39 -36.870  -8.435  -7.699
  296    HE1  TYR  39           HE1      TYR  39 -35.918  -4.285 -10.158
  297    HE2  TYR  39           HE2      TYR  39 -38.527  -6.614  -7.713
  298    HH   TYR  39           HH       TYR  39 -38.405  -4.016  -8.055
  299    H    ASP  40           H        ASP  40 -33.759 -10.527  -9.142
  300    HA   ASP  40           HA       ASP  40 -33.085 -12.696  -9.074
  301   1HB   ASP  40          2HB       ASP  40 -30.480 -12.828  -8.520
  302   2HB   ASP  40          1HB       ASP  40 -31.081 -12.221 -10.059
  303    H    GLU  41           H        GLU  41 -32.659 -14.463  -7.851
  304    HA   GLU  41           HA       GLU  41 -32.245 -15.719  -6.015
  305   1HB   GLU  41          2HB       GLU  41 -31.112 -14.923  -4.242
  306   2HB   GLU  41          1HB       GLU  41 -31.007 -13.440  -5.166
  307   1HG   GLU  41          2HG       GLU  41 -33.021 -12.609  -3.989
  308   2HG   GLU  41          1HG       GLU  41 -33.035 -14.092  -3.038
  309    H    LYS  42           H        LYS  42 -34.330 -12.927  -5.211
  310    HA   LYS  42           HA       LYS  42 -36.542 -14.787  -4.829
  311   1HB   LYS  42          2HB       LYS  42 -35.295 -14.549  -2.641
  312   2HB   LYS  42          1HB       LYS  42 -35.809 -12.870  -2.623
  313   1HG   LYS  42          2HG       LYS  42 -37.817 -13.418  -1.806
  314   2HG   LYS  42          1HG       LYS  42 -38.074 -14.601  -3.088
  315   1HD   LYS  42          2HD       LYS  42 -36.343 -15.188  -0.701
  316   2HD   LYS  42          1HD       LYS  42 -38.089 -15.455  -0.683
  317   1HE   LYS  42          2HE       LYS  42 -37.917 -16.986  -2.537
  318   2HE   LYS  42          1HE       LYS  42 -36.198 -16.640  -2.710
  319   1HZ   LYS  42          1HZ       LYS  42 -37.425 -17.865  -0.301
  320   2HZ   LYS  42          3HZ       LYS  42 -36.660 -18.736  -1.535
  321   3HZ   LYS  42          2HZ       LYS  42 -35.773 -17.646  -0.595
  322    H    ARG  43           H        ARG  43 -35.958 -12.590  -6.712
  323    HA   ARG  43           HA       ARG  43 -36.998 -10.802  -7.666
  324   1HB   ARG  43          2HB       ARG  43 -39.338 -11.923  -6.109
  325   2HB   ARG  43          1HB       ARG  43 -39.470 -10.685  -7.350
  326   1HG   ARG  43          2HG       ARG  43 -40.033 -12.642  -8.456
  327   2HG   ARG  43          1HG       ARG  43 -38.343 -12.388  -8.897
  328   1HD   ARG  43          2HD       ARG  43 -38.950 -14.743  -8.255
  329   2HD   ARG  43          1HD       ARG  43 -37.603 -14.038  -7.364
  330    HE   ARG  43           HE       ARG  43 -38.819 -14.282  -5.455
  331   1HH1  ARG  43          1HH2      ARG  43 -41.008 -14.311  -8.163
  332   2HH1  ARG  43          2HH2      ARG  43 -42.402 -14.665  -7.197
  333   1HH2  ARG  43          2HH1      ARG  43 -40.647 -14.745  -4.176
  334   2HH2  ARG  43          1HH1      ARG  43 -42.197 -14.910  -4.930
  335    H    ASN  44           H        ASN  44 -35.877 -10.687  -4.826
  336    HA   ASN  44           HA       ASN  44 -37.354  -8.397  -3.764
  337   1HB   ASN  44          2HB       ASN  44 -35.140 -10.115  -2.642
  338   2HB   ASN  44          1HB       ASN  44 -35.695  -8.645  -1.849
  339   1HD2  ASN  44          2HD2      ASN  44 -37.776 -10.819  -0.073
  340   2HD2  ASN  44          1HD2      ASN  44 -36.323  -9.885  -0.052
  341    H    LEU  45           H        LEU  45 -36.716  -6.379  -4.108
  342    HA   LEU  45           HA       LEU  45 -34.222  -5.880  -5.502
  343   1HB   LEU  45          2HB       LEU  45 -36.406  -4.774  -6.095
  344   2HB   LEU  45          1HB       LEU  45 -36.295  -3.891  -4.583
  345    HG   LEU  45           HG       LEU  45 -33.934  -3.181  -5.580
  346   1HD1  LEU  45          3HD1      LEU  45 -34.593  -4.705  -7.622
  347   2HD1  LEU  45          2HD1      LEU  45 -35.461  -3.255  -8.130
  348   3HD1  LEU  45          1HD1      LEU  45 -33.721  -3.189  -7.855
  349   1HD2  LEU  45          1HD2      LEU  45 -36.658  -2.050  -6.056
  350   2HD2  LEU  45          3HD2      LEU  45 -35.357  -1.448  -5.029
  351   3HD2  LEU  45          2HD2      LEU  45 -35.251  -1.273  -6.781
  352    H    GLN  46           H        GLN  46 -32.398  -5.694  -4.326
  353    HA   GLN  46           HA       GLN  46 -32.480  -4.012  -1.926
  354   1HB   GLN  46          2HB       GLN  46 -31.405  -6.828  -2.016
  355   2HB   GLN  46          1HB       GLN  46 -31.050  -5.690  -0.724
  356   1HG   GLN  46          2HG       GLN  46 -33.547  -5.496  -0.388
  357   2HG   GLN  46          1HG       GLN  46 -33.700  -6.885  -1.463
  358   1HE2  GLN  46          2HE2      GLN  46 -33.696  -8.636   1.597
  359   2HE2  GLN  46          1HE2      GLN  46 -34.694  -7.911   0.387
  360    H    CYS  47           H        CYS  47 -30.385  -3.387  -1.132
  361    HA   CYS  47           HA       CYS  47 -28.666  -2.518  -3.244
  362   1HB   CYS  47          2HB       CYS  47 -28.453  -2.276  -0.243
  363   2HB   CYS  47          1HB       CYS  47 -27.387  -1.465  -1.376
  364    H    ILE  48           H        ILE  48 -27.561  -4.220  -4.175
  365    HA   ILE  48           HA       ILE  48 -26.058  -6.051  -2.483
  366    HB   ILE  48           HB       ILE  48 -26.165  -5.983  -5.497
  367   1HG1  ILE  48          2HG1      ILE  48 -27.995  -7.169  -3.452
  368   2HG1  ILE  48          1HG1      ILE  48 -28.381  -6.423  -4.999
  369   1HG2  ILE  48          2HG2      ILE  48 -24.252  -7.184  -4.455
  370   2HG2  ILE  48          1HG2      ILE  48 -25.409  -8.228  -3.630
  371   3HG2  ILE  48          3HG2      ILE  48 -25.317  -8.232  -5.391
  372   1HD1  ILE  48          2HD1      ILE  48 -27.393  -8.452  -6.101
  373   2HD1  ILE  48          1HD1      ILE  48 -27.323  -9.188  -4.499
  374   3HD1  ILE  48          3HD1      ILE  48 -28.878  -8.723  -5.189
  375    H    CYS  49           H        CYS  49 -24.074  -5.558  -1.822
  376    HA   CYS  49           HA       CYS  49 -22.495  -3.572  -3.289
  377   1HB   CYS  49          2HB       CYS  49 -21.913  -4.906  -0.633
  378   2HB   CYS  49          1HB       CYS  49 -21.043  -3.545  -1.326
  379    H    ASP  50           H        ASP  50 -21.305  -4.347  -4.882
  380    HA   ASP  50           HA       ASP  50 -20.242  -7.055  -4.751
  381   1HB   ASP  50          2HB       ASP  50 -21.349  -5.627  -6.809
  382   2HB   ASP  50          1HB       ASP  50 -19.631  -5.465  -7.155
  383    H    TYR  51           H        TYR  51 -18.086  -7.520  -5.446
  384    HA   TYR  51           HA       TYR  51 -16.126  -5.448  -4.728
  385   1HB   TYR  51          2HB       TYR  51 -16.211  -8.339  -3.879
  386   2HB   TYR  51          1HB       TYR  51 -14.772  -7.339  -3.724
  387    HD1  TYR  51           HD2      TYR  51 -18.201  -7.890  -2.500
  388    HD2  TYR  51           HD1      TYR  51 -14.609  -5.669  -1.996
  389    HE1  TYR  51           HE2      TYR  51 -19.010  -7.094  -0.317
  390    HE2  TYR  51           HE1      TYR  51 -15.406  -4.867   0.189
  391    HH   TYR  51           HH       TYR  51 -16.984  -5.063   1.760
  392    H    CYS  52           H        CYS  52 -17.026  -8.189  -6.664
  393    HA   CYS  52           HA       CYS  52 -14.505  -8.101  -8.159
  394   1HB   CYS  52          2HB       CYS  52 -16.784 -10.073  -8.068
  395   2HB   CYS  52          1HB       CYS  52 -15.565 -10.126  -9.334
  396    H    GLU  53           H        GLU  53 -17.435  -6.623  -8.203
  397    HA   GLU  53           HA       GLU  53 -18.431  -5.238  -9.706
  398   1HB   GLU  53          2HB       GLU  53 -16.451  -6.108 -11.806
  399   2HB   GLU  53          1HB       GLU  53 -17.379  -4.620 -11.740
  400   1HG   GLU  53          2HG       GLU  53 -15.971  -3.637 -10.247
  401   2HG   GLU  53          1HG       GLU  53 -15.498  -5.167  -9.513
  402    H    TYR  54           HN       TYR  54 -17.337  -7.568 -12.143
  403    HA   TYR  54           HA       TYR  54 -20.128  -8.124 -12.758
  404   1HB   TYR  54          2HB       TYR  54 -17.543  -8.431 -14.196
  405   2HB   TYR  54          1HB       TYR  54 -18.844  -9.541 -14.625
  406    HD1  TYR  54           HD2      TYR  54 -19.273  -6.046 -13.523
  407    HD2  TYR  54           HD1      TYR  54 -19.333  -8.743 -16.809
  408    HE1  TYR  54           HE2      TYR  54 -20.298  -4.310 -14.916
  409    HE2  TYR  54           HE1      TYR  54 -20.359  -7.008 -18.221
  410    HH   TYR  54           HH       TYR  54 -21.848  -4.849 -17.692
   
  No H/Q in entry =         410
  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1 -21.716 -13.484  -8.543
    2    HA   PCA   1           HA       PCA   1 -21.157 -15.857  -9.209
    3   1HB   PCA   1          1HB       PCA   1 -20.515 -16.046 -11.372
    4   2HB   PCA   1          2HB       PCA   1 -18.935 -15.357 -10.931
    5   1HG   PCA   1          1HG       PCA   1 -21.020 -14.100 -12.436
    6   2HG   PCA   1          2HG       PCA   1 -19.527 -13.348 -11.845
    7    H    ASP   2           H        ASP   2 -19.259 -17.035  -8.473
    8    HA   ASP   2           HA       ASP   2 -17.651 -17.379  -6.893
    9   1HB   ASP   2          2HB       ASP   2 -16.650 -15.189  -8.633
   10   2HB   ASP   2          1HB       ASP   2 -15.774 -15.451  -7.129
   11    H    LYS   3           H        LYS   3 -16.127 -15.864  -5.279
   12    HA   LYS   3           HA       LYS   3 -18.122 -14.520  -3.609
   13   1HB   LYS   3          2HB       LYS   3 -15.822 -16.206  -3.101
   14   2HB   LYS   3          1HB       LYS   3 -15.696 -14.710  -2.186
   15   1HG   LYS   3          2HG       LYS   3 -18.100 -16.521  -2.157
   16   2HG   LYS   3          1HG       LYS   3 -16.799 -16.559  -0.965
   17   1HD   LYS   3          2HD       LYS   3 -17.379 -13.961  -0.832
   18   2HD   LYS   3          1HD       LYS   3 -18.951 -14.550  -1.375
   19   1HE   LYS   3          2HE       LYS   3 -18.704 -16.276   0.529
   20   2HE   LYS   3          1HE       LYS   3 -17.461 -15.188   1.146
   21   1HZ   LYS   3          2HZ       LYS   3 -19.954 -13.907   0.426
   22   2HZ   LYS   3          1HZ       LYS   3 -20.067 -14.985   1.724
   23   3HZ   LYS   3          3HZ       LYS   3 -18.979 -13.690   1.792
   24    H    CYS   4           H        CYS   4 -18.166 -12.392  -3.403
   25    HA   CYS   4           HA       CYS   4 -16.127 -10.628  -3.039
   26   1HB   CYS   4          2HB       CYS   4 -16.334 -11.469  -5.847
   27   2HB   CYS   4          1HB       CYS   4 -16.322  -9.723  -5.631
   28    H    LYS   5           H        LYS   5 -19.092 -11.186  -2.783
   29    HA   LYS   5           HA       LYS   5 -19.935  -8.410  -3.069
   30   1HB   LYS   5          2HB       LYS   5 -21.667  -8.762  -4.501
   31   2HB   LYS   5          1HB       LYS   5 -20.657 -10.095  -5.034
   32   1HG   LYS   5          2HG       LYS   5 -22.977 -10.246  -3.120
   33   2HG   LYS   5          1HG       LYS   5 -22.933 -10.834  -4.780
   34   1HD   LYS   5          2HD       LYS   5 -20.776 -11.925  -3.124
   35   2HD   LYS   5          1HD       LYS   5 -22.380 -12.333  -2.522
   36   1HE   LYS   5          2HE       LYS   5 -22.959 -13.136  -4.810
   37   2HE   LYS   5          1HE       LYS   5 -21.280 -12.869  -5.276
   38   1HZ   LYS   5          1HZ       LYS   5 -22.111 -14.645  -3.050
   39   2HZ   LYS   5          3HZ       LYS   5 -21.808 -15.189  -4.623
   40   3HZ   LYS   5          2HZ       LYS   5 -20.562 -14.496  -3.713
   41    H    LYS   6           H        LYS   6 -21.754  -7.850  -1.738
   42    HA   LYS   6           HA       LYS   6 -22.686  -9.840   0.155
   43   1HB   LYS   6          2HB       LYS   6 -20.459  -8.319   0.788
   44   2HB   LYS   6          1HB       LYS   6 -21.765  -7.460   1.588
   45   1HG   LYS   6          2HG       LYS   6 -22.381  -9.909   2.399
   46   2HG   LYS   6          1HG       LYS   6 -20.660 -10.164   2.103
   47   1HD   LYS   6          2HD       LYS   6 -20.085  -8.375   3.612
   48   2HD   LYS   6          1HD       LYS   6 -21.786  -7.951   3.816
   49   1HE   LYS   6          2HE       LYS   6 -22.239  -9.891   5.044
   50   2HE   LYS   6          1HE       LYS   6 -20.758 -10.684   4.506
   51   1HZ   LYS   6          2HZ       LYS   6 -19.622  -8.744   5.746
   52   2HZ   LYS   6          1HZ       LYS   6 -21.104  -8.589   6.545
   53   3HZ   LYS   6          3HZ       LYS   6 -20.240 -10.041   6.640
   54    H    VAL   7           H        VAL   7 -24.808  -9.550   0.387
   55    HA   VAL   7           HA       VAL   7 -26.176  -7.301  -0.614
   56    HB   VAL   7           HB       VAL   7 -28.154  -8.325   0.004
   57   1HG1  VAL   7          3HG1      VAL   7 -26.501  -9.804  -1.319
   58   2HG1  VAL   7          2HG1      VAL   7 -26.443 -10.770   0.153
   59   3HG1  VAL   7          1HG1      VAL   7 -27.978 -10.526  -0.681
   60   1HG2  VAL   7          2HG2      VAL   7 -26.665  -9.463   2.354
   61   2HG2  VAL   7          1HG2      VAL   7 -28.037  -8.354   2.354
   62   3HG2  VAL   7          3HG2      VAL   7 -28.263 -10.035   1.874
   63    H    TYR   8           H        TYR   8 -26.241  -5.334   0.224
   64    HA   TYR   8           HA       TYR   8 -25.258  -4.601   2.708
   65   1HB   TYR   8          2HB       TYR   8 -25.614  -3.064   0.794
   66   2HB   TYR   8          1HB       TYR   8 -27.341  -3.135   1.081
   67    HD1  TYR   8           HD2      TYR   8 -25.876  -3.143   4.279
   68    HD2  TYR   8           HD1      TYR   8 -26.608  -0.558   0.968
   69    HE1  TYR   8           HE2      TYR   8 -25.712  -1.206   5.759
   70    HE2  TYR   8           HE1      TYR   8 -26.436   1.389   2.456
   71    HH   TYR   8           HH       TYR   8 -26.378   2.058   4.610
   72    H    GLU   9           H        GLU   9 -26.239  -6.250   4.053
   73    HA   GLU   9           HA       GLU   9 -28.187  -7.199   5.105
   74   1HB   GLU   9          2HB       GLU   9 -27.133  -4.763   6.529
   75   2HB   GLU   9          1HB       GLU   9 -28.208  -5.933   7.282
   76   1HG   GLU   9          2HG       GLU   9 -26.479  -7.687   6.674
   77   2HG   GLU   9          1HG       GLU   9 -25.399  -6.341   6.313
   78    H    ASN  10           H        ASN  10 -30.279  -7.228   4.781
   79    HA   ASN  10           HA       ASN  10 -32.257  -6.294   3.831
   80   1HB   ASN  10          2HB       ASN  10 -32.101  -5.728   6.791
   81   2HB   ASN  10          1HB       ASN  10 -33.592  -5.638   5.858
   82   1HD2  ASN  10          2HD2      ASN  10 -34.017  -8.928   6.987
   83   2HD2  ASN  10          1HD2      ASN  10 -34.435  -7.269   7.230
   84    H    TYR  11           H        TYR  11 -30.604  -4.427   2.887
   85    HA   TYR  11           HA       TYR  11 -30.726  -1.836   3.875
   86   1HB   TYR  11          2HB       TYR  11 -29.320  -2.478   1.979
   87   2HB   TYR  11          1HB       TYR  11 -30.750  -2.740   0.989
   88    HD1  TYR  11           HD1      TYR  11 -28.770  -0.174   2.752
   89    HD2  TYR  11           HD2      TYR  11 -31.782  -0.927  -0.149
   90    HE1  TYR  11           HE1      TYR  11 -28.641   2.170   2.025
   91    HE2  TYR  11           HE2      TYR  11 -31.670   1.420  -0.882
   92    HH   TYR  11           HH       TYR  11 -29.245   3.394  -0.343
   93    HA   PRO  12           HA       PRO  12 -35.044  -0.630   3.792
   94   1HB   PRO  12          2HB       PRO  12 -33.875   1.778   2.438
   95   2HB   PRO  12          1HB       PRO  12 -35.095   1.697   3.714
   96   1HG   PRO  12          2HG       PRO  12 -32.563   2.291   4.294
   97   2HG   PRO  12          1HG       PRO  12 -33.530   1.265   5.369
   98   1HD   PRO  12          2HD       PRO  12 -31.306   0.528   3.561
   99   2HD   PRO  12          1HD       PRO  12 -31.864  -0.264   5.044
  100    H    VAL  13           H        VAL  13 -35.431  -2.290   2.178
  101    HA   VAL  13           HA       VAL  13 -34.999  -2.034  -0.544
  102    HB   VAL  13           HB       VAL  13 -37.488  -3.437  -0.108
  103   1HG1  VAL  13          3HG1      VAL  13 -34.676  -4.273  -0.778
  104   2HG1  VAL  13          2HG1      VAL  13 -36.031  -5.394  -0.727
  105   3HG1  VAL  13          1HG1      VAL  13 -36.036  -4.059  -1.880
  106   1HG2  VAL  13          1HG2      VAL  13 -35.273  -4.106   1.828
  107   2HG2  VAL  13          3HG2      VAL  13 -36.876  -3.498   2.238
  108   3HG2  VAL  13          2HG2      VAL  13 -36.697  -5.099   1.522
  109    H    SER  14           H        SER  14 -35.541  -0.363  -1.690
  110    HA   SER  14           HA       SER  14 -38.199   0.211  -2.387
  111   1HB   SER  14          2HB       SER  14 -38.508   2.415  -1.421
  112   2HB   SER  14          1HB       SER  14 -38.196   1.267  -0.118
  113    HG   SER  14           HG       SER  14 -36.024   1.989  -0.115
  114    H    LYS  15           H        LYS  15 -35.798   2.722  -1.896
  115    HA   LYS  15           HA       LYS  15 -35.742   3.379  -4.666
  116   1HB   LYS  15          2HB       LYS  15 -33.703   4.263  -2.629
  117   2HB   LYS  15          1HB       LYS  15 -34.228   5.103  -4.082
  118   1HG   LYS  15          2HG       LYS  15 -36.574   4.877  -2.697
  119   2HG   LYS  15          1HG       LYS  15 -35.405   5.079  -1.393
  120   1HD   LYS  15          2HD       LYS  15 -35.910   7.271  -1.854
  121   2HD   LYS  15          1HD       LYS  15 -34.524   7.031  -2.919
  122   1HE   LYS  15          2HE       LYS  15 -37.360   7.475  -3.579
  123   2HE   LYS  15          1HE       LYS  15 -35.908   7.879  -4.495
  124   1HZ   LYS  15          1HZ       LYS  15 -35.896   5.218  -4.660
  125   2HZ   LYS  15          3HZ       LYS  15 -37.562   5.502  -4.598
  126   3HZ   LYS  15          2HZ       LYS  15 -36.626   6.223  -5.808
  127    H    CYS  16           H        CYS  16 -33.772   3.373  -6.018
  128    HA   CYS  16           HA       CYS  16 -31.539   1.750  -5.343
  129   1HB   CYS  16          2HB       CYS  16 -33.803   0.507  -6.862
  130   2HB   CYS  16          1HB       CYS  16 -32.153   0.026  -7.218
  131    H    GLN  17           H        GLN  17 -33.237   1.833  -8.445
  132    HA   GLN  17           HA       GLN  17 -32.710   2.713 -10.468
  133   1HB   GLN  17          2HB       GLN  17 -31.196   4.736  -8.810
  134   2HB   GLN  17          1HB       GLN  17 -31.531   4.886 -10.528
  135   1HG   GLN  17          2HG       GLN  17 -33.183   6.171  -9.570
  136   2HG   GLN  17          1HG       GLN  17 -33.996   4.632  -9.850
  137   1HE2  GLN  17          2HE2      GLN  17 -32.828   5.293  -5.987
  138   2HE2  GLN  17          1HE2      GLN  17 -31.734   5.561  -7.297
  139    H    LEU  18           H        LEU  18 -30.798   0.935  -8.808
  140    HA   LEU  18           HA       LEU  18 -28.585   0.201  -8.900
  141   1HB   LEU  18          2HB       LEU  18 -29.586  -0.051 -11.733
  142   2HB   LEU  18          1HB       LEU  18 -28.213  -0.911 -11.069
  143    HG   LEU  18           HG       LEU  18 -29.770  -1.990  -9.424
  144   1HD1  LEU  18          1HD1      LEU  18 -31.772  -0.482 -11.069
  145   2HD1  LEU  18          3HD1      LEU  18 -32.202  -1.958 -10.210
  146   3HD1  LEU  18          2HD1      LEU  18 -31.613  -0.559  -9.318
  147   1HD2  LEU  18          1HD2      LEU  18 -29.031  -3.130 -11.456
  148   2HD2  LEU  18          3HD2      LEU  18 -30.687  -3.569 -11.038
  149   3HD2  LEU  18          2HD2      LEU  18 -30.381  -2.425 -12.346
  150    H    ALA  19           H        ALA  19 -28.089   2.703  -8.706
  151    HA   ALA  19           HA       ALA  19 -25.705   3.178 -10.018
  152   1HB   ALA  19          2HB       ALA  19 -28.102   4.188 -11.470
  153   2HB   ALA  19          1HB       ALA  19 -26.625   5.154 -11.485
  154   3HB   ALA  19          3HB       ALA  19 -26.606   3.503 -12.105
  155    H    ASN  20           H        ASN  20 -26.936   3.485  -7.482
  156    HA   ASN  20           HA       ASN  20 -25.845   5.947  -6.680
  157   1HB   ASN  20          2HB       ASN  20 -27.938   6.796  -7.769
  158   2HB   ASN  20          1HB       ASN  20 -28.871   5.867  -6.600
  159   1HD2  ASN  20          2HD2      ASN  20 -26.623   8.458  -4.525
  160   2HD2  ASN  20          1HD2      ASN  20 -25.969   7.098  -5.365
  161    H    GLN  21           H        GLN  21 -28.577   5.627  -4.876
  162    HA   GLN  21           HA       GLN  21 -28.160   5.192  -2.486
  163   1HB   GLN  21          2HB       GLN  21 -29.875   3.558  -4.202
  164   2HB   GLN  21          1HB       GLN  21 -29.468   2.754  -2.692
  165   1HG   GLN  21          2HG       GLN  21 -31.463   3.898  -2.272
  166   2HG   GLN  21          1HG       GLN  21 -30.203   4.874  -1.521
  167   1HE2  GLN  21          2HE2      GLN  21 -30.381   7.231  -4.375
  168   2HE2  GLN  21          1HE2      GLN  21 -29.183   6.162  -3.739
  169    H    CYS  22           H        CYS  22 -27.986   1.946  -3.858
  170    HA   CYS  22           HA       CYS  22 -26.232   0.972  -1.922
  171   1HB   CYS  22          2HB       CYS  22 -26.158  -0.320  -4.595
  172   2HB   CYS  22          1HB       CYS  22 -26.397  -1.033  -3.005
  173    H    ASN  23           H        ASN  23 -25.534   1.954  -5.278
  174    HA   ASN  23           HA       ASN  23 -22.830   1.419  -5.331
  175   1HB   ASN  23          2HB       ASN  23 -24.387   2.340  -7.195
  176   2HB   ASN  23          1HB       ASN  23 -23.932   3.926  -6.579
  177   1HD2  ASN  23          2HD2      ASN  23 -20.452   3.448  -7.480
  178   2HD2  ASN  23          1HD2      ASN  23 -21.391   3.909  -6.105
  179    H    TYR  24           H        TYR  24 -24.126   4.696  -4.824
  180    HA   TYR  24           HA       TYR  24 -21.807   5.857  -3.869
  181   1HB   TYR  24          2HB       TYR  24 -23.310   7.519  -4.225
  182   2HB   TYR  24          1HB       TYR  24 -24.680   6.491  -3.828
  183    HD1  TYR  24           HD2      TYR  24 -21.827   8.199  -2.113
  184    HD2  TYR  24           HD1      TYR  24 -25.913   7.027  -1.958
  185    HE1  TYR  24           HE2      TYR  24 -22.075   9.367   0.035
  186    HE2  TYR  24           HE1      TYR  24 -26.173   8.192   0.190
  187    HH   TYR  24           HH       TYR  24 -24.485  10.427   1.290
  188    H    ASP  25           H        ASP  25 -24.407   4.305  -1.998
  189    HA   ASP  25           HA       ASP  25 -23.399   4.800   0.549
  190   1HB   ASP  25          2HB       ASP  25 -25.075   2.517  -0.495
  191   2HB   ASP  25          1HB       ASP  25 -24.695   2.724   1.212
  192    H    CYS  26           H        CYS  26 -23.144   1.639  -1.108
  193    HA   CYS  26           HA       CYS  26 -21.309   0.522   0.612
  194   1HB   CYS  26          2HB       CYS  26 -21.121   0.040  -2.354
  195   2HB   CYS  26          1HB       CYS  26 -20.851  -1.095  -1.039
  196    H    LYS  27           H        LYS  27 -20.727   2.636  -2.159
  197    HA   LYS  27           HA       LYS  27 -17.944   2.459  -2.233
  198   1HB   LYS  27          2HB       LYS  27 -19.542   3.588  -3.896
  199   2HB   LYS  27          1HB       LYS  27 -19.440   4.996  -2.850
  200   1HG   LYS  27          2HG       LYS  27 -17.261   5.426  -3.401
  201   2HG   LYS  27          1HG       LYS  27 -16.909   3.744  -3.789
  202   1HD   LYS  27          2HD       LYS  27 -16.903   4.939  -5.840
  203   2HD   LYS  27          1HD       LYS  27 -18.402   4.011  -5.803
  204   1HE   LYS  27          2HE       LYS  27 -19.058   6.125  -6.554
  205   2HE   LYS  27          1HE       LYS  27 -19.468   6.132  -4.839
  206   1HZ   LYS  27          1HZ       LYS  27 -16.888   7.054  -4.956
  207   2HZ   LYS  27          3HZ       LYS  27 -17.656   7.804  -6.265
  208   3HZ   LYS  27          2HZ       LYS  27 -18.278   7.986  -4.703
  209    H    LEU  28           H        LEU  28 -19.579   3.254   0.441
  210    HA   LEU  28           HA       LEU  28 -17.311   4.583   1.602
  211   1HB   LEU  28          2HB       LEU  28 -18.397   6.478   0.516
  212   2HB   LEU  28          1HB       LEU  28 -19.903   6.104   1.327
  213    HG   LEU  28           HG       LEU  28 -18.598   8.024   2.295
  214   1HD1  LEU  28          1HD1      LEU  28 -20.189   6.234   3.554
  215   2HD1  LEU  28          3HD1      LEU  28 -18.716   6.087   4.511
  216   3HD1  LEU  28          2HD1      LEU  28 -19.493   7.657   4.324
  217   1HD2  LEU  28          3HD2      LEU  28 -16.390   6.769   1.966
  218   2HD2  LEU  28          2HD2      LEU  28 -16.598   7.701   3.449
  219   3HD2  LEU  28          1HD2      LEU  28 -16.789   5.947   3.476
  220    H    ASP  29           H        ASP  29 -20.721   3.701   1.972
  221    HA   ASP  29           HA       ASP  29 -20.709   3.707   4.803
  222   1HB   ASP  29          2HB       ASP  29 -22.520   2.481   2.736
  223   2HB   ASP  29          1HB       ASP  29 -22.779   2.209   4.457
  224    H    LYS  30           H        LYS  30 -20.550   1.018   2.462
  225    HA   LYS  30           HA       LYS  30 -19.652  -0.758   4.620
  226   1HB   LYS  30          2HB       LYS  30 -20.673  -1.311   1.834
  227   2HB   LYS  30          1HB       LYS  30 -20.019  -2.558   2.885
  228   1HG   LYS  30          2HG       LYS  30 -21.790  -1.695   4.577
  229   2HG   LYS  30          1HG       LYS  30 -22.552  -1.003   3.143
  230   1HD   LYS  30          2HD       LYS  30 -23.574  -3.056   3.205
  231   2HD   LYS  30          1HD       LYS  30 -22.184  -3.425   2.183
  232   1HE   LYS  30          2HE       LYS  30 -21.073  -3.951   4.534
  233   2HE   LYS  30          1HE       LYS  30 -22.754  -4.224   4.988
  234   1HZ   LYS  30          2HZ       LYS  30 -21.769  -5.466   2.527
  235   2HZ   LYS  30          1HZ       LYS  30 -21.282  -6.136   4.001
  236   3HZ   LYS  30          3HZ       LYS  30 -22.928  -6.022   3.625
  237    H    HIS  31           H        HIS  31 -18.057   1.343   3.072
  238    HA   HIS  31           HA       HIS  31 -16.048   1.558   1.990
  239   1HB   HIS  31          2HB       HIS  31 -14.606  -0.532   3.324
  240   2HB   HIS  31          1HB       HIS  31 -14.615   1.191   3.684
  241    HD1  HIS  31           HD1      HIS  31 -15.786  -2.063   4.927
  242    HD2  HIS  31           HD2      HIS  31 -16.548   1.951   5.677
  243    HE1  HIS  31           HE1      HIS  31 -17.009  -2.012   7.122
  244    HE2  HIS  31           HE2      HIS  31 -17.365   0.435   7.608
  245    H    ALA  32           H        ALA  32 -17.843  -0.145   0.566
  246    HA   ALA  32           HA       ALA  32 -16.272  -2.392  -0.381
  247   1HB   ALA  32          2HB       ALA  32 -18.903  -2.152  -0.124
  248   2HB   ALA  32          1HB       ALA  32 -18.757  -1.567  -1.782
  249   3HB   ALA  32          3HB       ALA  32 -18.174  -3.178  -1.360
  250    H    ARG  33           H        ARG  33 -16.729  -2.530  -3.022
  251    HA   ARG  33           HA       ARG  33 -15.066  -0.368  -4.056
  252   1HB   ARG  33          2HB       ARG  33 -15.017  -3.112  -4.394
  253   2HB   ARG  33          1HB       ARG  33 -15.734  -2.553  -5.896
  254   1HG   ARG  33          2HG       ARG  33 -13.417  -2.672  -6.267
  255   2HG   ARG  33          1HG       ARG  33 -13.802  -0.961  -6.099
  256   1HD   ARG  33          2HD       ARG  33 -13.131  -2.172  -3.539
  257   2HD   ARG  33          1HD       ARG  33 -11.830  -2.350  -4.714
  258    HE   ARG  33           HE       ARG  33 -12.259   0.197  -5.010
  259   1HH1  ARG  33          1HH2      ARG  33 -12.374  -1.618  -2.042
  260   2HH1  ARG  33          2HH2      ARG  33 -11.906  -0.278  -1.050
  261   1HH2  ARG  33          2HH1      ARG  33 -11.637   1.972  -3.715
  262   2HH2  ARG  33          1HH1      ARG  33 -11.484   1.762  -2.002
  263    H    SER  34           H        SER  34 -18.066  -2.092  -4.849
  264    HA   SER  34           HA       SER  34 -19.317   0.296  -5.810
  265   1HB   SER  34          2HB       SER  34 -19.752  -1.002  -8.113
  266   2HB   SER  34          1HB       SER  34 -18.381   0.084  -7.897
  267    HG   SER  34           HG       SER  34 -17.078  -1.556  -8.044
  268    H    GLY  35           H        GLY  35 -21.564   0.055  -5.984
  269   1HA   GLY  35          2HA       GLY  35 -22.575  -2.584  -5.095
  270   2HA   GLY  35          1HA       GLY  35 -23.286  -1.048  -4.632
  271    H    GLU  36           H        GLU  36 -25.051  -2.696  -5.488
  272    HA   GLU  36           HA       GLU  36 -26.194  -1.518  -7.774
  273   1HB   GLU  36          2HB       GLU  36 -24.692  -4.079  -8.165
  274   2HB   GLU  36          1HB       GLU  36 -26.212  -3.880  -9.020
  275   1HG   GLU  36          2HG       GLU  36 -25.015  -1.548  -9.661
  276   2HG   GLU  36          1HG       GLU  36 -23.602  -2.581  -9.465
  277    H    CYS  37           H        CYS  37 -28.365  -1.974  -7.862
  278    HA   CYS  37           HA       CYS  37 -29.404  -3.607  -5.692
  279   1HB   CYS  37          2HB       CYS  37 -30.366  -1.358  -7.303
  280   2HB   CYS  37          1HB       CYS  37 -31.604  -2.577  -7.017
  281    H    PHE  38           H        PHE  38 -30.782  -5.362  -5.937
  282    HA   PHE  38           HA       PHE  38 -31.325  -6.343  -8.641
  283   1HB   PHE  38          2HB       PHE  38 -29.538  -7.657  -6.644
  284   2HB   PHE  38          1HB       PHE  38 -30.583  -8.690  -7.613
  285    HD1  PHE  38           HD2      PHE  38 -30.444  -8.479 -10.143
  286    HD2  PHE  38           HD1      PHE  38 -27.532  -6.855  -7.498
  287    HE1  PHE  38           HE2      PHE  38 -28.821  -8.392 -11.990
  288    HE2  PHE  38           HE1      PHE  38 -25.904  -6.764  -9.340
  289    HZ   PHE  38           HZ       PHE  38 -26.546  -7.534 -11.590
  290    H    TYR  39           H        TYR  39 -33.147  -7.577  -8.809
  291    HA   TYR  39           HA       TYR  39 -35.045  -7.368  -6.691
  292   1HB   TYR  39          2HB       TYR  39 -35.093  -8.701  -9.391
  293   2HB   TYR  39          1HB       TYR  39 -36.446  -8.818  -8.270
  294    HD1  TYR  39           HD1      TYR  39 -37.563  -6.676  -7.511
  295    HD2  TYR  39           HD2      TYR  39 -34.819  -6.814 -10.758
  296    HE1  TYR  39           HE1      TYR  39 -38.451  -4.538  -8.344
  297    HE2  TYR  39           HE2      TYR  39 -35.697  -4.676 -11.603
  298    HH   TYR  39           HH       TYR  39 -37.757  -3.337 -11.439
  299    H    ASP  40           H        ASP  40 -36.463  -9.557  -6.440
  300    HA   ASP  40           HA       ASP  40 -35.463 -12.069  -6.341
  301   1HB   ASP  40          2HB       ASP  40 -34.659 -12.054  -3.824
  302   2HB   ASP  40          1HB       ASP  40 -33.538 -11.694  -5.131
  303    H    GLU  41           H        GLU  41 -36.097 -13.160  -4.052
  304    HA   GLU  41           HA       GLU  41 -38.080 -14.115  -3.369
  305   1HB   GLU  41          2HB       GLU  41 -38.937 -12.363  -1.501
  306   2HB   GLU  41          1HB       GLU  41 -37.506 -13.365  -1.306
  307   1HG   GLU  41          2HG       GLU  41 -36.057 -11.601  -1.816
  308   2HG   GLU  41          1HG       GLU  41 -37.353 -10.619  -2.498
  309    H    LYS  42           H        LYS  42 -39.166 -10.751  -3.097
  310    HA   LYS  42           HA       LYS  42 -41.336 -11.345  -5.001
  311   1HB   LYS  42          2HB       LYS  42 -41.619 -10.167  -2.236
  312   2HB   LYS  42          1HB       LYS  42 -42.884 -10.094  -3.455
  313   1HG   LYS  42          2HG       LYS  42 -41.720 -12.741  -2.741
  314   2HG   LYS  42          1HG       LYS  42 -42.870 -11.979  -1.642
  315   1HD   LYS  42          2HD       LYS  42 -44.616 -12.188  -3.102
  316   2HD   LYS  42          1HD       LYS  42 -43.579 -12.090  -4.527
  317   1HE   LYS  42          2HE       LYS  42 -42.860 -14.346  -4.248
  318   2HE   LYS  42          1HE       LYS  42 -43.627 -14.456  -2.665
  319   1HZ   LYS  42          1HZ       LYS  42 -45.718 -13.826  -4.173
  320   2HZ   LYS  42          3HZ       LYS  42 -44.799 -14.674  -5.313
  321   3HZ   LYS  42          2HZ       LYS  42 -45.248 -15.421  -3.864
  322    H    ARG  43           H        ARG  43 -39.998 -10.061  -6.445
  323    HA   ARG  43           HA       ARG  43 -39.314  -8.133  -7.458
  324   1HB   ARG  43          2HB       ARG  43 -41.873  -8.117  -7.576
  325   2HB   ARG  43          1HB       ARG  43 -41.811  -6.918  -6.291
  326   1HG   ARG  43          2HG       ARG  43 -40.771  -5.336  -7.654
  327   2HG   ARG  43          1HG       ARG  43 -40.280  -6.547  -8.839
  328   1HD   ARG  43          2HD       ARG  43 -42.263  -4.992  -9.395
  329   2HD   ARG  43          1HD       ARG  43 -42.412  -6.712  -9.742
  330    HE   ARG  43           HE       ARG  43 -43.676  -6.868  -7.612
  331   1HH1  ARG  43          1HH2      ARG  43 -43.479  -3.807  -9.291
  332   2HH1  ARG  43          2HH2      ARG  43 -44.932  -3.190  -8.583
  333   1HH2  ARG  43          2HH1      ARG  43 -45.582  -6.050  -6.689
  334   2HH2  ARG  43          1HH1      ARG  43 -46.125  -4.460  -7.108
  335    H    ASN  44           H        ASN  44 -38.440  -8.497  -4.669
  336    HA   ASN  44           HA       ASN  44 -38.322  -5.756  -3.664
  337   1HB   ASN  44          2HB       ASN  44 -36.973  -8.070  -2.323
  338   2HB   ASN  44          1HB       ASN  44 -37.693  -6.634  -1.608
  339   1HD2  ASN  44          2HD2      ASN  44 -40.795  -8.055  -1.111
  340   2HD2  ASN  44          1HD2      ASN  44 -39.740  -6.701  -0.926
  341    H    LEU  45           H        LEU  45 -36.678  -4.465  -4.119
  342    HA   LEU  45           HA       LEU  45 -34.328  -5.541  -5.446
  343   1HB   LEU  45          2HB       LEU  45 -35.257  -2.732  -4.895
  344   2HB   LEU  45          1HB       LEU  45 -33.738  -3.108  -5.683
  345    HG   LEU  45           HG       LEU  45 -36.260  -4.217  -6.841
  346   1HD1  LEU  45          2HD1      LEU  45 -36.786  -1.872  -6.433
  347   2HD1  LEU  45          1HD1      LEU  45 -35.299  -1.388  -7.248
  348   3HD1  LEU  45          3HD1      LEU  45 -36.583  -2.187  -8.158
  349   1HD2  LEU  45          3HD2      LEU  45 -33.578  -3.351  -7.903
  350   2HD2  LEU  45          2HD2      LEU  45 -34.286  -4.966  -7.897
  351   3HD2  LEU  45          1HD2      LEU  45 -34.947  -3.715  -8.947
  352    H    GLN  46           H        GLN  46 -32.759  -6.300  -4.190
  353    HA   GLN  46           HA       GLN  46 -32.194  -5.038  -1.615
  354   1HB   GLN  46          2HB       GLN  46 -31.138  -7.565  -2.896
  355   2HB   GLN  46          1HB       GLN  46 -30.613  -6.965  -1.327
  356   1HG   GLN  46          2HG       GLN  46 -33.167  -7.013  -0.786
  357   2HG   GLN  46          1HG       GLN  46 -33.225  -8.152  -2.129
  358   1HE2  GLN  46          2HE2      GLN  46 -31.666 -10.768  -0.409
  359   2HE2  GLN  46          1HE2      GLN  46 -32.144 -10.134  -1.943
  360    H    CYS  47           H        CYS  47 -30.396  -3.867  -1.184
  361    HA   CYS  47           HA       CYS  47 -28.836  -2.904  -3.399
  362   1HB   CYS  47          2HB       CYS  47 -29.143  -2.225  -0.530
  363   2HB   CYS  47          1HB       CYS  47 -27.578  -1.852  -1.237
  364    H    ILE  48           H        ILE  48 -27.452  -4.382  -4.227
  365    HA   ILE  48           HA       ILE  48 -25.878  -6.067  -2.473
  366    HB   ILE  48           HB       ILE  48 -25.730  -5.881  -5.478
  367   1HG1  ILE  48          2HG1      ILE  48 -27.949  -6.510  -5.109
  368   2HG1  ILE  48          1HG1      ILE  48 -27.123  -8.059  -5.246
  369   1HG2  ILE  48          3HG2      ILE  48 -23.830  -6.962  -4.185
  370   2HG2  ILE  48          2HG2      ILE  48 -24.992  -8.204  -3.718
  371   3HG2  ILE  48          1HG2      ILE  48 -24.605  -7.953  -5.421
  372   1HD1  ILE  48          1HD1      ILE  48 -27.007  -8.104  -2.747
  373   2HD1  ILE  48          3HD1      ILE  48 -28.058  -6.689  -2.742
  374   3HD1  ILE  48          2HD1      ILE  48 -28.630  -8.210  -3.428
  375    H    CYS  49           H        CYS  49 -24.039  -5.402  -1.616
  376    HA   CYS  49           HA       CYS  49 -22.549  -3.223  -2.881
  377   1HB   CYS  49          2HB       CYS  49 -22.332  -4.545  -0.171
  378   2HB   CYS  49          1HB       CYS  49 -21.193  -3.334  -0.743
  379    H    ASP  50           H        ASP  50 -21.113  -3.822  -4.360
  380    HA   ASP  50           HA       ASP  50 -19.868  -6.444  -4.242
  381   1HB   ASP  50          2HB       ASP  50 -19.041  -4.524  -6.348
  382   2HB   ASP  50          1HB       ASP  50 -19.485  -6.224  -6.478
  383    H    TYR  51           H        TYR  51 -17.695  -6.844  -3.995
  384    HA   TYR  51           HA       TYR  51 -16.115  -4.598  -2.916
  385   1HB   TYR  51          2HB       TYR  51 -16.250  -7.512  -2.210
  386   2HB   TYR  51          1HB       TYR  51 -14.823  -6.559  -1.810
  387    HD1  TYR  51           HD1      TYR  51 -18.389  -7.085  -1.115
  388    HD2  TYR  51           HD2      TYR  51 -14.916  -4.842  -0.103
  389    HE1  TYR  51           HE1      TYR  51 -19.514  -6.263   0.906
  390    HE2  TYR  51           HE2      TYR  51 -16.031  -4.020   1.927
  391    HH   TYR  51           HH       TYR  51 -18.180  -5.149   3.432
  392    H    CYS  52           H        CYS  52 -16.360  -6.524  -5.607
  393    HA   CYS  52           HA       CYS  52 -13.568  -5.985  -6.303
  394   1HB   CYS  52          2HB       CYS  52 -14.857  -8.639  -6.944
  395   2HB   CYS  52          1HB       CYS  52 -13.166  -8.187  -7.117
  396    H    GLU  53           H        GLU  53 -14.877  -8.039  -8.508
  397    HA   GLU  53           HA       GLU  53 -16.680  -6.526  -9.998
  398   1HB   GLU  53          2HB       GLU  53 -15.217  -5.707 -11.819
  399   2HB   GLU  53          1HB       GLU  53 -14.894  -4.903 -10.293
  400   1HG   GLU  53          2HG       GLU  53 -13.279  -7.288 -11.045
  401   2HG   GLU  53          1HG       GLU  53 -12.938  -5.737 -11.811
  402    H    TYR  54           HN       TYR  54 -15.584  -9.296  -9.267
  403    HA   TYR  54           HA       TYR  54 -15.641 -10.444 -11.987
  404   1HB   TYR  54          2HB       TYR  54 -14.307 -11.525  -9.495
  405   2HB   TYR  54          1HB       TYR  54 -14.365 -12.346 -11.054
  406    HD1  TYR  54           HD1      TYR  54 -13.609 -10.614 -13.057
  407    HD2  TYR  54           HD2      TYR  54 -12.286 -10.545  -9.016
  408    HE1  TYR  54           HE1      TYR  54 -11.571  -9.437 -13.752
  409    HE2  TYR  54           HE2      TYR  54 -10.240  -9.366  -9.699
  410    HH   TYR  54           HH       TYR  54  -9.024  -8.634 -11.413
   
  No H/Q in entry =         410
  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1 -21.639 -18.524  -9.163
    2    HA   PCA   1           HA       PCA   1 -21.932 -16.075  -9.755
    3   1HB   PCA   1          1HB       PCA   1 -23.007 -14.860  -8.177
    4   2HB   PCA   1          2HB       PCA   1 -21.581 -14.979  -7.123
    5   1HG   PCA   1          1HG       PCA   1 -24.088 -16.367  -6.867
    6   2HG   PCA   1          2HG       PCA   1 -22.643 -16.553  -5.856
    7    H    ASP   2           H        ASP   2 -20.278 -14.204  -8.795
    8    HA   ASP   2           HA       ASP   2 -17.694 -15.286  -9.336
    9   1HB   ASP   2          2HB       ASP   2 -18.608 -12.533  -8.483
   10   2HB   ASP   2          1HB       ASP   2 -16.929 -12.925  -8.840
   11    H    LYS   3           H        LYS   3 -17.732 -12.925  -6.855
   12    HA   LYS   3           HA       LYS   3 -17.871 -14.135  -4.475
   13   1HB   LYS   3          2HB       LYS   3 -16.436 -15.922  -4.886
   14   2HB   LYS   3          1HB       LYS   3 -15.338 -14.957  -5.857
   15   1HG   LYS   3          2HG       LYS   3 -15.414 -14.053  -3.087
   16   2HG   LYS   3          1HG       LYS   3 -14.994 -15.755  -3.209
   17   1HD   LYS   3          2HD       LYS   3 -13.628 -13.760  -4.975
   18   2HD   LYS   3          1HD       LYS   3 -13.122 -13.951  -3.296
   19   1HE   LYS   3          2HE       LYS   3 -11.743 -15.374  -4.613
   20   2HE   LYS   3          1HE       LYS   3 -12.878 -16.407  -3.746
   21   1HZ   LYS   3          3HZ       LYS   3 -13.419 -15.492  -6.503
   22   2HZ   LYS   3          2HZ       LYS   3 -12.497 -16.876  -6.199
   23   3HZ   LYS   3          1HZ       LYS   3 -14.102 -16.799  -5.674
   24    H    CYS   4           H        CYS   4 -18.376 -11.943  -4.185
   25    HA   CYS   4           HA       CYS   4 -16.725 -10.383  -2.756
   26   1HB   CYS   4          2HB       CYS   4 -16.020 -10.224  -5.624
   27   2HB   CYS   4          1HB       CYS   4 -16.152  -8.672  -4.804
   28    H    LYS   5           H        LYS   5 -19.494 -10.908  -3.140
   29    HA   LYS   5           HA       LYS   5 -20.480  -8.163  -3.213
   30   1HB   LYS   5          2HB       LYS   5 -22.138  -8.488  -4.823
   31   2HB   LYS   5          1HB       LYS   5 -20.739  -9.296  -5.511
   32   1HG   LYS   5          2HG       LYS   5 -23.042 -10.635  -4.100
   33   2HG   LYS   5          1HG       LYS   5 -22.755 -10.605  -5.839
   34   1HD   LYS   5          2HD       LYS   5 -20.728 -11.881  -5.581
   35   2HD   LYS   5          1HD       LYS   5 -20.855 -11.801  -3.824
   36   1HE   LYS   5          2HE       LYS   5 -23.071 -12.994  -5.437
   37   2HE   LYS   5          1HE       LYS   5 -21.629 -13.942  -5.076
   38   1HZ   LYS   5          3HZ       LYS   5 -22.218 -12.953  -2.668
   39   2HZ   LYS   5          2HZ       LYS   5 -23.772 -13.098  -3.320
   40   3HZ   LYS   5          1HZ       LYS   5 -22.766 -14.454  -3.227
   41    H    LYS   6           H        LYS   6 -22.137  -7.758  -1.830
   42    HA   LYS   6           HA       LYS   6 -23.671  -9.930  -0.674
   43   1HB   LYS   6          2HB       LYS   6 -22.954  -9.767   1.520
   44   2HB   LYS   6          1HB       LYS   6 -21.447  -9.571   0.637
   45   1HG   LYS   6          2HG       LYS   6 -21.799  -7.076   0.845
   46   2HG   LYS   6          1HG       LYS   6 -23.091  -7.454   1.988
   47   1HD   LYS   6          2HD       LYS   6 -21.473  -8.712   3.359
   48   2HD   LYS   6          1HD       LYS   6 -20.192  -8.258   2.234
   49   1HE   LYS   6          2HE       LYS   6 -21.017  -5.829   2.737
   50   2HE   LYS   6          1HE       LYS   6 -21.692  -6.571   4.187
   51   1HZ   LYS   6          2HZ       LYS   6 -18.901  -7.146   3.528
   52   2HZ   LYS   6          1HZ       LYS   6 -19.262  -5.613   4.141
   53   3HZ   LYS   6          3HZ       LYS   6 -19.643  -6.995   5.041
   54    H    VAL   7           H        VAL   7 -25.654  -9.288   0.087
   55    HA   VAL   7           HA       VAL   7 -26.682  -6.871  -0.848
   56    HB   VAL   7           HB       VAL   7 -28.730  -7.579  -0.200
   57   1HG1  VAL   7          2HG1      VAL   7 -27.436  -9.462  -1.282
   58   2HG1  VAL   7          1HG1      VAL   7 -27.314 -10.175   0.328
   59   3HG1  VAL   7          3HG1      VAL   7 -28.898  -9.915  -0.404
   60   1HG2  VAL   7          1HG2      VAL   7 -27.512  -8.654   2.340
   61   2HG2  VAL   7          3HG2      VAL   7 -28.519  -7.217   2.162
   62   3HG2  VAL   7          2HG2      VAL   7 -29.213  -8.815   1.901
   63    H    TYR   8           H        TYR   8 -27.605  -5.094   0.264
   64    HA   TYR   8           HA       TYR   8 -25.895  -4.184   2.424
   65   1HB   TYR   8          2HB       TYR   8 -26.132  -2.645   0.623
   66   2HB   TYR   8          1HB       TYR   8 -27.883  -2.802   0.633
   67    HD1  TYR   8           HD2      TYR   8 -24.987  -1.353   2.370
   68    HD2  TYR   8           HD1      TYR   8 -29.232  -1.555   2.174
   69    HE1  TYR   8           HE2      TYR   8 -25.143   0.588   3.868
   70    HE2  TYR   8           HE1      TYR   8 -29.394   0.393   3.659
   71    HH   TYR   8           HH       TYR   8 -28.221   1.690   5.137
   72    H    GLU   9           H        GLU   9 -28.962  -5.451   1.995
   73    HA   GLU   9           HA       GLU   9 -30.943  -5.270   3.235
   74   1HB   GLU   9          2HB       GLU   9 -30.502  -6.560   5.377
   75   2HB   GLU   9          1HB       GLU   9 -30.010  -7.334   3.876
   76   1HG   GLU   9          2HG       GLU   9 -27.792  -7.171   4.355
   77   2HG   GLU   9          1HG       GLU   9 -27.988  -5.672   5.263
   78    H    ASN  10           H        ASN  10 -31.903  -3.502   3.993
   79    HA   ASN  10           HA       ASN  10 -31.826  -2.697   6.581
   80   1HB   ASN  10          2HB       ASN  10 -29.702  -1.860   6.677
   81   2HB   ASN  10          1HB       ASN  10 -29.699  -1.380   4.993
   82   1HD2  ASN  10          2HD2      ASN  10 -30.971   1.152   7.904
   83   2HD2  ASN  10          1HD2      ASN  10 -30.688  -0.523   8.218
   84    H    TYR  11           H        TYR  11 -31.626  -0.554   3.669
   85    HA   TYR  11           HA       TYR  11 -33.745   1.051   4.351
   86   1HB   TYR  11          2HB       TYR  11 -33.747   0.251   1.483
   87   2HB   TYR  11          1HB       TYR  11 -33.779   1.850   2.204
   88    HD1  TYR  11           HD1      TYR  11 -31.572   2.768   3.133
   89    HD2  TYR  11           HD2      TYR  11 -31.811  -0.590   0.530
   90    HE1  TYR  11           HE1      TYR  11 -29.231   3.117   2.465
   91    HE2  TYR  11           HE2      TYR  11 -29.493  -0.261  -0.125
   92    HH   TYR  11           HH       TYR  11 -27.878   2.253   0.004
   93    HA   PRO  12           HA       PRO  12 -37.457  -1.311   3.981
   94   1HB   PRO  12          2HB       PRO  12 -38.649   0.359   1.867
   95   2HB   PRO  12          1HB       PRO  12 -39.171   0.134   3.539
   96   1HG   PRO  12          2HG       PRO  12 -38.078   2.442   2.692
   97   2HG   PRO  12          1HG       PRO  12 -37.814   1.823   4.333
   98   1HD   PRO  12          2HD       PRO  12 -36.013   1.695   1.944
   99   2HD   PRO  12          1HD       PRO  12 -35.613   2.061   3.636
  100    H    VAL  13           H        VAL  13 -35.582  -0.636   1.282
  101    HA   VAL  13           HA       VAL  13 -34.799  -2.262  -0.237
  102    HB   VAL  13           HB       VAL  13 -36.516  -3.950   0.817
  103   1HG1  VAL  13          3HG1      VAL  13 -38.386  -2.491  -0.417
  104   2HG1  VAL  13          2HG1      VAL  13 -38.031  -3.616  -1.717
  105   3HG1  VAL  13          1HG1      VAL  13 -38.570  -4.225  -0.153
  106   1HG2  VAL  13          2HG2      VAL  13 -34.700  -4.311  -1.029
  107   2HG2  VAL  13          1HG2      VAL  13 -35.934  -5.533  -0.753
  108   3HG2  VAL  13          3HG2      VAL  13 -36.096  -4.413  -2.100
  109    H    SER  14           H        SER  14 -37.576  -0.277  -0.255
  110    HA   SER  14           HA       SER  14 -38.188  -0.253  -2.998
  111   1HB   SER  14          2HB       SER  14 -39.658   1.417  -2.476
  112   2HB   SER  14          1HB       SER  14 -39.318   0.883  -0.831
  113    HG   SER  14           HG       SER  14 -39.077   3.260  -1.567
  114    H    LYS  15           H        LYS  15 -35.747   1.412  -1.107
  115    HA   LYS  15           HA       LYS  15 -35.003   3.270  -3.121
  116   1HB   LYS  15          2HB       LYS  15 -33.858   2.344  -0.535
  117   2HB   LYS  15          1HB       LYS  15 -32.769   3.150  -1.658
  118   1HG   LYS  15          2HG       LYS  15 -33.816   5.166  -1.453
  119   2HG   LYS  15          1HG       LYS  15 -35.382   4.440  -1.086
  120   1HD   LYS  15          2HD       LYS  15 -34.819   4.066   1.147
  121   2HD   LYS  15          1HD       LYS  15 -33.091   4.216   0.835
  122   1HE   LYS  15          2HE       LYS  15 -33.133   6.448   1.132
  123   2HE   LYS  15          1HE       LYS  15 -34.596   6.634   0.163
  124   1HZ   LYS  15          3HZ       LYS  15 -35.784   5.689   2.192
  125   2HZ   LYS  15          2HZ       LYS  15 -34.366   6.043   3.045
  126   3HZ   LYS  15          1HZ       LYS  15 -35.224   7.284   2.284
  127    H    CYS  16           H        CYS  16 -33.262   3.234  -4.530
  128    HA   CYS  16           HA       CYS  16 -31.417   1.145  -4.774
  129   1HB   CYS  16          2HB       CYS  16 -34.030   0.618  -5.911
  130   2HB   CYS  16          1HB       CYS  16 -32.798   0.588  -7.164
  131    H    GLN  17           H        GLN  17 -33.283   2.743  -7.356
  132    HA   GLN  17           HA       GLN  17 -32.595   4.096  -9.054
  133   1HB   GLN  17          2HB       GLN  17 -30.802   5.434  -7.046
  134   2HB   GLN  17          1HB       GLN  17 -31.698   6.160  -8.374
  135   1HG   GLN  17          2HG       GLN  17 -33.800   5.491  -7.116
  136   2HG   GLN  17          1HG       GLN  17 -32.742   5.166  -5.744
  137   1HE2  GLN  17          2HE2      GLN  17 -34.021   8.583  -5.365
  138   2HE2  GLN  17          1HE2      GLN  17 -34.674   6.985  -5.415
  139    H    LEU  18           H        LEU  18 -31.087   1.668  -8.561
  140    HA   LEU  18           HA       LEU  18 -29.127   0.628  -9.099
  141   1HB   LEU  18          2HB       LEU  18 -29.380   2.741 -11.224
  142   2HB   LEU  18          1HB       LEU  18 -28.243   1.408 -11.324
  143    HG   LEU  18           HG       LEU  18 -30.942   0.459 -10.802
  144   1HD1  LEU  18          1HD1      LEU  18 -30.511   2.248 -13.169
  145   2HD1  LEU  18          3HD1      LEU  18 -31.702   0.947 -13.187
  146   3HD1  LEU  18          2HD1      LEU  18 -31.837   2.250 -12.006
  147   1HD2  LEU  18          3HD2      LEU  18 -28.947  -0.838 -11.637
  148   2HD2  LEU  18          2HD2      LEU  18 -30.451  -1.089 -12.522
  149   3HD2  LEU  18          1HD2      LEU  18 -29.195  -0.052 -13.197
  150    H    ALA  19           H        ALA  19 -27.108   2.465 -10.710
  151    HA   ALA  19           HA       ALA  19 -25.192   2.683  -8.717
  152   1HB   ALA  19          3HB       ALA  19 -24.979   2.752 -11.297
  153   2HB   ALA  19          2HB       ALA  19 -25.151   4.495 -11.091
  154   3HB   ALA  19          1HB       ALA  19 -23.820   3.643 -10.309
  155    H    ASN  20           H        ASN  20 -26.348   3.718  -6.940
  156    HA   ASN  20           HA       ASN  20 -25.635   6.408  -6.632
  157   1HB   ASN  20          2HB       ASN  20 -27.527   6.809  -8.179
  158   2HB   ASN  20          1HB       ASN  20 -28.602   6.003  -7.045
  159   1HD2  ASN  20          2HD2      ASN  20 -26.980   9.239  -5.269
  160   2HD2  ASN  20          1HD2      ASN  20 -26.033   7.882  -5.768
  161    H    GLN  21           H        GLN  21 -28.631   6.236  -5.274
  162    HA   GLN  21           HA       GLN  21 -27.783   6.138  -2.629
  163   1HB   GLN  21          2HB       GLN  21 -30.029   6.931  -3.703
  164   2HB   GLN  21          1HB       GLN  21 -30.551   5.281  -3.379
  165   1HG   GLN  21          2HG       GLN  21 -31.255   6.388  -1.496
  166   2HG   GLN  21          1HG       GLN  21 -29.697   5.745  -0.980
  167   1HE2  GLN  21          2HE2      GLN  21 -28.105   8.901  -0.826
  168   2HE2  GLN  21          1HE2      GLN  21 -27.848   7.218  -1.121
  169    H    CYS  22           H        CYS  22 -26.445   4.036  -3.435
  170    HA   CYS  22           HA       CYS  22 -27.060   2.016  -1.652
  171   1HB   CYS  22          2HB       CYS  22 -28.264   1.659  -4.355
  172   2HB   CYS  22          1HB       CYS  22 -27.516   0.248  -3.612
  173    H    ASN  23           H        ASN  23 -25.895   2.232  -5.014
  174    HA   ASN  23           HA       ASN  23 -23.634   0.600  -4.646
  175   1HB   ASN  23          2HB       ASN  23 -24.592   1.364  -6.864
  176   2HB   ASN  23          1HB       ASN  23 -23.843   2.930  -6.564
  177   1HD2  ASN  23          2HD2      ASN  23 -20.500   1.452  -6.702
  178   2HD2  ASN  23          1HD2      ASN  23 -21.442   2.374  -5.584
  179    H    TYR  24           H        TYR  24 -24.026   4.131  -4.606
  180    HA   TYR  24           HA       TYR  24 -21.400   4.774  -3.874
  181   1HB   TYR  24          2HB       TYR  24 -22.379   6.742  -4.406
  182   2HB   TYR  24          1HB       TYR  24 -23.985   6.140  -4.018
  183    HD1  TYR  24           HD1      TYR  24 -20.867   7.060  -2.173
  184    HD2  TYR  24           HD2      TYR  24 -25.108   7.295  -2.388
  185    HE1  TYR  24           HE1      TYR  24 -20.884   8.445  -0.145
  186    HE2  TYR  24           HE2      TYR  24 -25.138   8.680  -0.357
  187    HH   TYR  24           HH       TYR  24 -22.586   8.955   1.724
  188    H    ASP  25           H        ASP  25 -24.289   4.246  -1.858
  189    HA   ASP  25           HA       ASP  25 -23.172   4.713   0.631
  190   1HB   ASP  25          2HB       ASP  25 -25.204   2.557   0.006
  191   2HB   ASP  25          1HB       ASP  25 -24.955   3.353   1.557
  192    H    CYS  26           H        CYS  26 -23.393   1.579  -1.076
  193    HA   CYS  26           HA       CYS  26 -21.994   0.056   0.781
  194   1HB   CYS  26          2HB       CYS  26 -21.958  -0.171  -2.242
  195   2HB   CYS  26          1HB       CYS  26 -21.386  -1.412  -1.137
  196    H    LYS  27           H        LYS  27 -20.827   1.958  -1.947
  197    HA   LYS  27           HA       LYS  27 -18.102   1.409  -1.674
  198   1HB   LYS  27          2HB       LYS  27 -19.701   2.864  -3.409
  199   2HB   LYS  27          1HB       LYS  27 -18.667   4.091  -2.698
  200   1HG   LYS  27          2HG       LYS  27 -16.722   3.110  -3.534
  201   2HG   LYS  27          1HG       LYS  27 -17.515   1.564  -3.829
  202   1HD   LYS  27          2HD       LYS  27 -17.262   2.522  -5.954
  203   2HD   LYS  27          1HD       LYS  27 -18.951   2.814  -5.534
  204   1HE   LYS  27          2HE       LYS  27 -17.812   4.775  -6.543
  205   2HE   LYS  27          1HE       LYS  27 -18.466   5.086  -4.935
  206   1HZ   LYS  27          1HZ       LYS  27 -15.650   4.277  -5.296
  207   2HZ   LYS  27          3HZ       LYS  27 -16.115   5.895  -5.465
  208   3HZ   LYS  27          2HZ       LYS  27 -16.359   5.094  -3.996
  209    H    LEU  28           H        LEU  28 -19.725   2.534   0.811
  210    HA   LEU  28           HA       LEU  28 -17.428   3.831   1.933
  211   1HB   LEU  28          2HB       LEU  28 -18.243   5.716   0.700
  212   2HB   LEU  28          1HB       LEU  28 -19.869   5.476   1.307
  213    HG   LEU  28           HG       LEU  28 -19.122   6.081   3.566
  214   1HD1  LEU  28          2HD1      LEU  28 -16.456   6.431   2.215
  215   2HD1  LEU  28          1HD1      LEU  28 -16.851   7.113   3.792
  216   3HD1  LEU  28          3HD1      LEU  28 -16.854   5.365   3.563
  217   1HD2  LEU  28          2HD2      LEU  28 -19.953   7.786   1.956
  218   2HD2  LEU  28          1HD2      LEU  28 -18.860   8.431   3.180
  219   3HD2  LEU  28          3HD2      LEU  28 -18.277   8.144   1.540
  220    H    ASP  29           H        ASP  29 -20.860   3.070   2.246
  221    HA   ASP  29           HA       ASP  29 -20.985   3.452   5.054
  222   1HB   ASP  29          2HB       ASP  29 -22.719   1.994   3.077
  223   2HB   ASP  29          1HB       ASP  29 -23.041   1.901   4.805
  224    H    LYS  30           H        LYS  30 -20.459   0.583   3.030
  225    HA   LYS  30           HA       LYS  30 -19.767  -0.942   5.456
  226   1HB   LYS  30          2HB       LYS  30 -20.533  -1.914   2.697
  227   2HB   LYS  30          1HB       LYS  30 -20.087  -2.954   4.043
  228   1HG   LYS  30          2HG       LYS  30 -22.292  -1.016   4.481
  229   2HG   LYS  30          1HG       LYS  30 -22.616  -2.411   3.448
  230   1HD   LYS  30          2HD       LYS  30 -22.103  -3.933   5.190
  231   2HD   LYS  30          1HD       LYS  30 -21.396  -2.661   6.188
  232   1HE   LYS  30          2HE       LYS  30 -23.570  -1.634   6.478
  233   2HE   LYS  30          1HE       LYS  30 -24.302  -2.819   5.398
  234   1HZ   LYS  30          1HZ       LYS  30 -22.861  -3.733   7.794
  235   2HZ   LYS  30          3HZ       LYS  30 -24.438  -3.141   7.948
  236   3HZ   LYS  30          2HZ       LYS  30 -24.130  -4.479   6.959
  237    H    HIS  31           H        HIS  31 -18.296   0.818   3.131
  238    HA   HIS  31           HA       HIS  31 -16.086   1.050   2.592
  239   1HB   HIS  31          2HB       HIS  31 -15.289  -1.531   3.862
  240   2HB   HIS  31          1HB       HIS  31 -14.449   0.015   3.838
  241    HD1  HIS  31           HD1      HIS  31 -15.173  -1.849   6.380
  242    HD2  HIS  31           HD2      HIS  31 -17.000   1.708   5.252
  243    HE1  HIS  31           HE1      HIS  31 -16.216  -0.937   8.477
  244    HE2  HIS  31           HE2      HIS  31 -17.216   1.272   7.792
  245    H    ALA  32           H        ALA  32 -17.989  -0.291   0.931
  246    HA   ALA  32           HA       ALA  32 -16.581  -2.520  -0.286
  247   1HB   ALA  32          3HB       ALA  32 -19.146  -2.244   0.002
  248   2HB   ALA  32          2HB       ALA  32 -19.026  -1.264  -1.459
  249   3HB   ALA  32          1HB       ALA  32 -18.509  -2.950  -1.484
  250    H    ARG  33           H        ARG  33 -16.677  -2.429  -2.846
  251    HA   ARG  33           HA       ARG  33 -15.269   0.039  -3.627
  252   1HB   ARG  33          2HB       ARG  33 -14.862  -2.824  -4.189
  253   2HB   ARG  33          1HB       ARG  33 -14.734  -1.808  -5.612
  254   1HG   ARG  33          2HG       ARG  33 -13.170  -0.480  -3.731
  255   2HG   ARG  33          1HG       ARG  33 -12.856  -2.183  -3.412
  256   1HD   ARG  33          2HD       ARG  33 -12.517  -2.404  -5.936
  257   2HD   ARG  33          1HD       ARG  33 -12.454  -0.644  -5.959
  258    HE   ARG  33           HE       ARG  33 -10.629  -2.155  -4.227
  259   1HH1  ARG  33          1HH2      ARG  33 -11.161   0.000  -6.921
  260   2HH1  ARG  33          2HH2      ARG  33  -9.493   0.445  -7.056
  261   1HH2  ARG  33          2HH1      ARG  33  -8.433  -1.582  -4.409
  262   2HH2  ARG  33          1HH1      ARG  33  -7.940  -0.462  -5.634
  263    H    SER  34           H        SER  34 -18.189  -1.463  -3.918
  264    HA   SER  34           HA       SER  34 -19.295   0.330  -5.701
  265   1HB   SER  34          2HB       SER  34 -19.618  -1.535  -7.609
  266   2HB   SER  34          1HB       SER  34 -18.275  -0.392  -7.626
  267    HG   SER  34           HG       SER  34 -17.911  -2.748  -6.194
  268    H    GLY  35           H        GLY  35 -21.285  -1.076  -6.946
  269   1HA   GLY  35          2HA       GLY  35 -22.415  -3.143  -5.369
  270   2HA   GLY  35          1HA       GLY  35 -23.098  -1.595  -4.902
  271    H    GLU  36           H        GLU  36 -25.106  -2.667  -5.633
  272    HA   GLU  36           HA       GLU  36 -25.929  -1.691  -8.131
  273   1HB   GLU  36          2HB       GLU  36 -25.014  -4.536  -8.029
  274   2HB   GLU  36          1HB       GLU  36 -26.438  -4.177  -8.986
  275   1HG   GLU  36          2HG       GLU  36 -24.658  -2.266  -9.848
  276   2HG   GLU  36          1HG       GLU  36 -23.617  -3.652  -9.547
  277    H    CYS  37           H        CYS  37 -28.007  -3.456  -8.727
  278    HA   CYS  37           HA       CYS  37 -29.499  -3.840  -6.245
  279   1HB   CYS  37          2HB       CYS  37 -30.072  -1.792  -8.313
  280   2HB   CYS  37          1HB       CYS  37 -31.460  -2.693  -7.714
  281    H    PHE  38           H        PHE  38 -30.744  -5.627  -6.304
  282    HA   PHE  38           HA       PHE  38 -31.626  -6.698  -8.871
  283   1HB   PHE  38          2HB       PHE  38 -29.899  -8.246  -6.934
  284   2HB   PHE  38          1HB       PHE  38 -30.763  -8.963  -8.289
  285    HD1  PHE  38           HD2      PHE  38 -30.057  -8.541 -10.577
  286    HD2  PHE  38           HD1      PHE  38 -27.921  -6.930  -7.269
  287    HE1  PHE  38           HE2      PHE  38 -28.146  -8.062 -12.051
  288    HE2  PHE  38           HE1      PHE  38 -26.005  -6.451  -8.736
  289    HZ   PHE  38           HZ       PHE  38 -26.115  -7.016 -11.131
  290    H    TYR  39           H        TYR  39 -32.975  -8.706  -8.529
  291    HA   TYR  39           HA       TYR  39 -34.783  -8.249  -6.260
  292   1HB   TYR  39          2HB       TYR  39 -35.155  -9.678  -8.903
  293   2HB   TYR  39          1HB       TYR  39 -36.361  -9.673  -7.626
  294    HD1  TYR  39           HD1      TYR  39 -34.247  -6.963  -9.154
  295    HD2  TYR  39           HD2      TYR  39 -38.157  -8.380  -8.245
  296    HE1  TYR  39           HE1      TYR  39 -35.201  -4.897 -10.066
  297    HE2  TYR  39           HE2      TYR  39 -39.119  -6.312  -9.162
  298    HH   TYR  39           HH       TYR  39 -38.305  -4.533 -10.939
  299    H    ASP  40           H        ASP  40 -34.634  -9.634  -4.569
  300    HA   ASP  40           HA       ASP  40 -33.637 -12.369  -5.102
  301   1HB   ASP  40          2HB       ASP  40 -32.429 -12.363  -3.075
  302   2HB   ASP  40          1HB       ASP  40 -32.052 -10.831  -3.859
  303    H    GLU  41           H        GLU  41 -34.930 -13.924  -4.647
  304    HA   GLU  41           HA       GLU  41 -37.047 -14.791  -4.140
  305   1HB   GLU  41          2HB       GLU  41 -35.074 -15.553  -2.623
  306   2HB   GLU  41          1HB       GLU  41 -35.929 -14.667  -1.368
  307   1HG   GLU  41          2HG       GLU  41 -37.931 -16.038  -1.812
  308   2HG   GLU  41          1HG       GLU  41 -37.001 -16.961  -2.991
  309    H    LYS  42           H        LYS  42 -37.366 -11.936  -4.145
  310    HA   LYS  42           HA       LYS  42 -39.604 -11.788  -2.283
  311   1HB   LYS  42          2HB       LYS  42 -37.294  -9.857  -2.287
  312   2HB   LYS  42          1HB       LYS  42 -38.882  -9.408  -1.684
  313   1HG   LYS  42          2HG       LYS  42 -38.495 -11.697  -0.311
  314   2HG   LYS  42          1HG       LYS  42 -36.825 -11.160  -0.494
  315   1HD   LYS  42          2HD       LYS  42 -39.086  -9.508   0.634
  316   2HD   LYS  42          1HD       LYS  42 -37.853 -10.334   1.586
  317   1HE   LYS  42          2HE       LYS  42 -37.115  -8.349  -0.537
  318   2HE   LYS  42          1HE       LYS  42 -37.547  -7.829   1.092
  319   1HZ   LYS  42          3HZ       LYS  42 -35.770  -9.723   1.641
  320   2HZ   LYS  42          2HZ       LYS  42 -35.164  -9.197   0.152
  321   3HZ   LYS  42          1HZ       LYS  42 -35.353  -8.099   1.425
  322    H    ARG  43           H        ARG  43 -38.310 -11.262  -5.295
  323    HA   ARG  43           HA       ARG  43 -39.048 -10.234  -7.184
  324   1HB   ARG  43          2HB       ARG  43 -41.720  -9.855  -5.862
  325   2HB   ARG  43          1HB       ARG  43 -41.364 -10.210  -7.548
  326   1HG   ARG  43          2HG       ARG  43 -40.978 -12.126  -5.257
  327   2HG   ARG  43          1HG       ARG  43 -42.353 -12.121  -6.364
  328   1HD   ARG  43          2HD       ARG  43 -40.653 -12.366  -8.234
  329   2HD   ARG  43          1HD       ARG  43 -39.470 -12.717  -6.977
  330    HE   ARG  43           HE       ARG  43 -41.816 -14.363  -7.636
  331   1HH1  ARG  43          1HH2      ARG  43 -38.727 -13.977  -6.054
  332   2HH1  ARG  43          2HH2      ARG  43 -38.568 -15.660  -5.680
  333   1HH2  ARG  43          2HH1      ARG  43 -41.607 -16.577  -7.142
  334   2HH2  ARG  43          1HH1      ARG  43 -40.201 -17.135  -6.299
  335    H    ASN  44           H        ASN  44 -38.400  -8.710  -4.509
  336    HA   ASN  44           HA       ASN  44 -39.545  -6.108  -5.172
  337   1HB   ASN  44          2HB       ASN  44 -37.914  -7.041  -2.803
  338   2HB   ASN  44          1HB       ASN  44 -38.492  -5.394  -3.021
  339   1HD2  ASN  44          2HD2      ASN  44 -41.061  -6.606  -0.922
  340   2HD2  ASN  44          1HD2      ASN  44 -39.510  -5.847  -0.932
  341    H    LEU  45           H        LEU  45 -36.879  -5.215  -3.629
  342    HA   LEU  45           HA       LEU  45 -34.994  -5.391  -5.823
  343   1HB   LEU  45          2HB       LEU  45 -36.742  -3.130  -5.485
  344   2HB   LEU  45          1HB       LEU  45 -35.074  -2.617  -5.294
  345    HG   LEU  45           HG       LEU  45 -36.179  -4.107  -7.677
  346   1HD1  LEU  45          1HD1      LEU  45 -35.551  -1.206  -7.190
  347   2HD1  LEU  45          3HD1      LEU  45 -35.680  -1.898  -8.807
  348   3HD1  LEU  45          2HD1      LEU  45 -37.072  -1.921  -7.724
  349   1HD2  LEU  45          2HD2      LEU  45 -33.449  -3.324  -6.815
  350   2HD2  LEU  45          1HD2      LEU  45 -33.988  -4.702  -7.775
  351   3HD2  LEU  45          3HD2      LEU  45 -33.850  -3.110  -8.520
  352    H    GLN  46           H        GLN  46 -33.484  -6.296  -4.456
  353    HA   GLN  46           HA       GLN  46 -32.761  -4.873  -2.018
  354   1HB   GLN  46          2HB       GLN  46 -32.231  -6.925  -1.269
  355   2HB   GLN  46          1HB       GLN  46 -32.663  -7.595  -2.835
  356   1HG   GLN  46          2HG       GLN  46 -30.353  -7.155  -3.601
  357   2HG   GLN  46          1HG       GLN  46 -29.957  -6.622  -1.969
  358   1HE2  GLN  46          2HE2      GLN  46 -31.009 -10.183  -1.019
  359   2HE2  GLN  46          1HE2      GLN  46 -31.908  -8.708  -0.971
  360    H    CYS  47           H        CYS  47 -30.561  -4.241  -1.597
  361    HA   CYS  47           HA       CYS  47 -29.228  -3.297  -4.044
  362   1HB   CYS  47          2HB       CYS  47 -29.520  -2.208  -1.280
  363   2HB   CYS  47          1HB       CYS  47 -28.135  -1.718  -2.246
  364    H    ILE  48           H        ILE  48 -27.519  -4.396  -4.647
  365    HA   ILE  48           HA       ILE  48 -26.060  -6.029  -2.752
  366    HB   ILE  48           HB       ILE  48 -26.039  -5.838  -5.739
  367   1HG1  ILE  48          2HG1      ILE  48 -26.600  -8.055  -3.759
  368   2HG1  ILE  48          1HG1      ILE  48 -27.793  -7.176  -4.710
  369   1HG2  ILE  48          3HG2      ILE  48 -24.044  -7.253  -3.984
  370   2HG2  ILE  48          2HG2      ILE  48 -24.319  -7.687  -5.670
  371   3HG2  ILE  48          1HG2      ILE  48 -23.725  -6.079  -5.261
  372   1HD1  ILE  48          2HD1      ILE  48 -26.125  -8.166  -6.634
  373   2HD1  ILE  48          1HD1      ILE  48 -26.128  -9.451  -5.428
  374   3HD1  ILE  48          3HD1      ILE  48 -27.650  -8.890  -6.120
  375    H    CYS  49           H        CYS  49 -24.110  -5.684  -1.962
  376    HA   CYS  49           HA       CYS  49 -22.686  -3.240  -2.749
  377   1HB   CYS  49          2HB       CYS  49 -22.473  -4.983  -0.285
  378   2HB   CYS  49          1HB       CYS  49 -21.416  -3.616  -0.613
  379    H    ASP  50           H        ASP  50 -21.146  -3.565  -4.238
  380    HA   ASP  50           HA       ASP  50 -19.808  -6.158  -4.388
  381   1HB   ASP  50          2HB       ASP  50 -20.726  -4.385  -6.331
  382   2HB   ASP  50          1HB       ASP  50 -18.979  -4.176  -6.378
  383    H    TYR  51           H        TYR  51 -17.677  -6.489  -4.117
  384    HA   TYR  51           HA       TYR  51 -16.111  -4.263  -2.981
  385   1HB   TYR  51          2HB       TYR  51 -16.117  -7.213  -2.420
  386   2HB   TYR  51          1HB       TYR  51 -14.795  -6.172  -1.907
  387    HD1  TYR  51           HD2      TYR  51 -18.374  -6.929  -1.464
  388    HD2  TYR  51           HD1      TYR  51 -15.044  -4.702  -0.030
  389    HE1  TYR  51           HE2      TYR  51 -19.635  -6.364   0.570
  390    HE2  TYR  51           HE1      TYR  51 -16.295  -4.132   2.010
  391    HH   TYR  51           HH       TYR  51 -18.326  -5.305   3.316
  392    H    CYS  52           H        CYS  52 -16.226  -6.763  -5.380
  393    HA   CYS  52           HA       CYS  52 -13.737  -5.768  -6.535
  394   1HB   CYS  52          2HB       CYS  52 -14.046  -8.729  -6.503
  395   2HB   CYS  52          1HB       CYS  52 -12.584  -7.747  -6.479
  396    H    GLU  53           H        GLU  53 -15.763  -4.929  -7.765
  397    HA   GLU  53           HA       GLU  53 -16.881  -6.852  -9.623
  398   1HB   GLU  53          2HB       GLU  53 -18.088  -4.818  -8.548
  399   2HB   GLU  53          1HB       GLU  53 -17.278  -3.878  -9.793
  400   1HG   GLU  53          2HG       GLU  53 -18.397  -5.023 -11.525
  401   2HG   GLU  53          1HG       GLU  53 -18.980  -6.269 -10.423
  402    H    TYR  54           HN       TYR  54 -14.018  -6.378  -9.719
  403    HA   TYR  54           HA       TYR  54 -13.819  -5.457 -12.511
  404   1HB   TYR  54          2HB       TYR  54 -11.900  -4.823 -10.260
  405   2HB   TYR  54          1HB       TYR  54 -11.577  -4.507 -11.962
  406    HD1  TYR  54           HD2      TYR  54 -13.556  -3.512  -9.038
  407    HD2  TYR  54           HD1      TYR  54 -12.680  -2.686 -13.119
  408    HE1  TYR  54           HE2      TYR  54 -14.689  -1.342  -8.837
  409    HE2  TYR  54           HE1      TYR  54 -13.811  -0.514 -12.927
  410    HH   TYR  54           HH       TYR  54 -15.766   0.400 -11.274
   
  No H/Q in entry =         410
  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1 -18.295 -11.703  -9.489
    2    HA   PCA   1           HA       PCA   1 -19.496 -13.731 -10.442
    3   1HB   PCA   1          1HB       PCA   1 -18.921 -14.258 -12.564
    4   2HB   PCA   1          2HB       PCA   1 -17.305 -14.755 -12.006
    5   1HG   PCA   1          1HG       PCA   1 -18.042 -12.342 -13.413
    6   2HG   PCA   1          2HG       PCA   1 -16.435 -12.812 -12.832
    7    H    ASP   2           H        ASP   2 -17.601 -12.955  -8.265
    8    HA   ASP   2           HA       ASP   2 -16.876 -15.668  -7.470
    9   1HB   ASP   2          2HB       ASP   2 -14.896 -13.423  -7.114
   10   2HB   ASP   2          1HB       ASP   2 -14.636 -15.151  -6.901
   11    H    LYS   3           H        LYS   3 -16.957 -16.022  -5.270
   12    HA   LYS   3           HA       LYS   3 -18.719 -14.740  -3.700
   13   1HB   LYS   3          2HB       LYS   3 -16.225 -15.659  -2.341
   14   2HB   LYS   3          1HB       LYS   3 -17.904 -15.937  -1.901
   15   1HG   LYS   3          2HG       LYS   3 -18.078 -17.469  -3.870
   16   2HG   LYS   3          1HG       LYS   3 -16.335 -17.294  -4.078
   17   1HD   LYS   3          2HD       LYS   3 -16.024 -18.122  -1.761
   18   2HD   LYS   3          1HD       LYS   3 -17.765 -18.397  -1.661
   19   1HE   LYS   3          2HE       LYS   3 -16.147 -20.347  -2.315
   20   2HE   LYS   3          1HE       LYS   3 -17.705 -20.169  -3.122
   21   1HZ   LYS   3          3HZ       LYS   3 -16.523 -18.930  -4.895
   22   2HZ   LYS   3          2HZ       LYS   3 -15.055 -19.323  -4.151
   23   3HZ   LYS   3          1HZ       LYS   3 -16.045 -20.548  -4.766
   24    H    CYS   4           H        CYS   4 -18.910 -12.626  -3.438
   25    HA   CYS   4           HA       CYS   4 -17.210 -11.169  -1.769
   26   1HB   CYS   4          2HB       CYS   4 -16.253 -11.359  -4.430
   27   2HB   CYS   4          1HB       CYS   4 -16.812  -9.703  -4.211
   28    H    LYS   5           H        LYS   5 -20.055 -11.703  -2.666
   29    HA   LYS   5           HA       LYS   5 -20.962  -8.900  -2.842
   30   1HB   LYS   5          2HB       LYS   5 -22.491 -11.336  -3.737
   31   2HB   LYS   5          1HB       LYS   5 -22.918  -9.653  -4.006
   32   1HG   LYS   5          2HG       LYS   5 -21.430  -9.396  -5.713
   33   2HG   LYS   5          1HG       LYS   5 -20.315 -10.603  -5.067
   34   1HD   LYS   5          2HD       LYS   5 -21.618 -12.387  -5.863
   35   2HD   LYS   5          1HD       LYS   5 -23.014 -11.348  -6.146
   36   1HE   LYS   5          2HE       LYS   5 -20.576 -10.618  -7.637
   37   2HE   LYS   5          1HE       LYS   5 -21.303 -12.160  -8.089
   38   1HZ   LYS   5          1HZ       LYS   5 -23.017  -9.787  -7.837
   39   2HZ   LYS   5          3HZ       LYS   5 -22.071  -9.976  -9.227
   40   3HZ   LYS   5          2HZ       LYS   5 -23.212 -11.154  -8.814
   41    H    LYS   6           H        LYS   6 -22.313  -8.161  -1.275
   42    HA   LYS   6           HA       LYS   6 -23.782 -10.050   0.366
   43   1HB   LYS   6          2HB       LYS   6 -22.920  -8.762   2.457
   44   2HB   LYS   6          1HB       LYS   6 -21.986 -10.086   1.786
   45   1HG   LYS   6          2HG       LYS   6 -20.846  -8.080   0.448
   46   2HG   LYS   6          1HG       LYS   6 -21.409  -7.183   1.858
   47   1HD   LYS   6          2HD       LYS   6 -19.816  -9.726   2.090
   48   2HD   LYS   6          1HD       LYS   6 -19.060  -8.139   1.979
   49   1HE   LYS   6          2HE       LYS   6 -20.960  -9.106   4.107
   50   2HE   LYS   6          1HE       LYS   6 -19.245  -8.736   4.296
   51   1HZ   LYS   6          1HZ       LYS   6 -19.873  -6.407   3.568
   52   2HZ   LYS   6          3HZ       LYS   6 -21.483  -6.856   3.837
   53   3HZ   LYS   6          2HZ       LYS   6 -20.375  -6.875   5.114
   54    H    VAL   7           H        VAL   7 -25.738  -9.314   0.744
   55    HA   VAL   7           HA       VAL   7 -26.635  -6.823  -0.161
   56    HB   VAL   7           HB       VAL   7 -28.758  -7.395   0.633
   57   1HG1  VAL   7          1HG1      VAL   7 -27.506  -9.096  -0.917
   58   2HG1  VAL   7          3HG1      VAL   7 -27.663 -10.160   0.481
   59   3HG1  VAL   7          2HG1      VAL   7 -29.103  -9.474  -0.273
   60   1HG2  VAL   7          1HG2      VAL   7 -27.295  -8.907   2.768
   61   2HG2  VAL   7          3HG2      VAL   7 -28.537  -7.666   2.933
   62   3HG2  VAL   7          2HG2      VAL   7 -28.975  -9.285   2.387
   63    H    TYR   8           H        TYR   8 -27.206  -4.931   0.880
   64    HA   TYR   8           HA       TYR   8 -25.781  -4.420   3.343
   65   1HB   TYR   8          2HB       TYR   8 -25.652  -2.735   1.608
   66   2HB   TYR   8          1HB       TYR   8 -27.404  -2.618   1.534
   67    HD1  TYR   8           HD1      TYR   8 -26.023  -2.883   4.886
   68    HD2  TYR   8           HD2      TYR   8 -27.020  -0.153   1.769
   69    HE1  TYR   8           HE1      TYR   8 -25.947  -1.032   6.489
   70    HE2  TYR   8           HE2      TYR   8 -26.943   1.705   3.377
   71    HH   TYR   8           HH       TYR   8 -27.258   1.574   6.354
   72    H    GLU   9           H        GLU   9 -27.392  -6.134   4.220
   73    HA   GLU   9           HA       GLU   9 -29.351  -6.702   5.300
   74   1HB   GLU   9          2HB       GLU   9 -28.507  -4.162   6.699
   75   2HB   GLU   9          1HB       GLU   9 -29.571  -5.390   7.376
   76   1HG   GLU   9          2HG       GLU   9 -26.978  -6.382   6.398
   77   2HG   GLU   9          1HG       GLU   9 -26.895  -5.294   7.786
   78    H    ASN  10           H        ASN  10 -31.145  -5.014   6.710
   79    HA   ASN  10           HA       ASN  10 -33.110  -4.593   4.784
   80   1HB   ASN  10          2HB       ASN  10 -32.844  -3.570   7.607
   81   2HB   ASN  10          1HB       ASN  10 -34.281  -3.300   6.624
   82   1HD2  ASN  10          2HD2      ASN  10 -35.609  -6.259   7.792
   83   2HD2  ASN  10          1HD2      ASN  10 -35.772  -4.561   7.522
   84    H    TYR  11           H        TYR  11 -30.942  -3.244   3.735
   85    HA   TYR  11           HA       TYR  11 -30.745  -0.530   4.196
   86   1HB   TYR  11          2HB       TYR  11 -29.164  -1.345   2.701
   87   2HB   TYR  11          1HB       TYR  11 -30.360  -2.234   1.765
   88    HD1  TYR  11           HD2      TYR  11 -28.863   1.072   2.359
   89    HD2  TYR  11           HD1      TYR  11 -31.572  -1.178  -0.028
   90    HE1  TYR  11           HE2      TYR  11 -28.943   2.911   0.728
   91    HE2  TYR  11           HE1      TYR  11 -31.658   0.654  -1.665
   92    HH   TYR  11           HH       TYR  11 -29.472   3.157  -1.758
   93    HA   PRO  12           HA       PRO  12 -34.745   1.280   3.367
   94   1HB   PRO  12          2HB       PRO  12 -33.059   3.193   1.791
   95   2HB   PRO  12          1HB       PRO  12 -34.385   3.527   2.911
   96   1HG   PRO  12          2HG       PRO  12 -31.829   3.801   3.658
   97   2HG   PRO  12          1HG       PRO  12 -33.071   3.213   4.778
   98   1HD   PRO  12          2HD       PRO  12 -30.855   1.743   3.493
   99   2HD   PRO  12          1HD       PRO  12 -31.761   1.357   4.968
  100    H    VAL  13           H        VAL  13 -35.304  -0.544   2.010
  101    HA   VAL  13           HA       VAL  13 -34.628  -0.850  -0.674
  102    HB   VAL  13           HB       VAL  13 -35.871  -2.490   0.801
  103   1HG1  VAL  13          2HG1      VAL  13 -37.621  -0.629   1.319
  104   2HG1  VAL  13          1HG1      VAL  13 -38.395  -1.216  -0.153
  105   3HG1  VAL  13          3HG1      VAL  13 -38.131  -2.313   1.203
  106   1HG2  VAL  13          2HG2      VAL  13 -35.621  -2.510  -1.811
  107   2HG2  VAL  13          1HG2      VAL  13 -36.697  -3.653  -1.008
  108   3HG2  VAL  13          3HG2      VAL  13 -37.359  -2.211  -1.771
  109    H    SER  14           H        SER  14 -36.038   1.785   0.606
  110    HA   SER  14           HA       SER  14 -38.198   2.354  -1.094
  111   1HB   SER  14          2HB       SER  14 -37.760   4.745  -0.448
  112   2HB   SER  14          1HB       SER  14 -37.910   3.637   0.915
  113    HG   SER  14           HG       SER  14 -35.346   3.820   0.045
  114    H    LYS  15           H        LYS  15 -35.592   4.645  -1.281
  115    HA   LYS  15           HA       LYS  15 -35.852   4.905  -4.084
  116   1HB   LYS  15          2HB       LYS  15 -35.006   6.621  -2.334
  117   2HB   LYS  15          1HB       LYS  15 -33.439   5.861  -2.575
  118   1HG   LYS  15          2HG       LYS  15 -33.484   6.410  -4.923
  119   2HG   LYS  15          1HG       LYS  15 -35.114   7.067  -4.768
  120   1HD   LYS  15          2HD       LYS  15 -33.299   8.306  -2.862
  121   2HD   LYS  15          1HD       LYS  15 -32.699   8.471  -4.511
  122   1HE   LYS  15          2HE       LYS  15 -34.225  10.313  -3.648
  123   2HE   LYS  15          1HE       LYS  15 -34.624   9.614  -5.216
  124   1HZ   LYS  15          3HZ       LYS  15 -35.886   8.270  -3.012
  125   2HZ   LYS  15          2HZ       LYS  15 -36.341   9.893  -3.145
  126   3HZ   LYS  15          1HZ       LYS  15 -36.557   8.845  -4.454
  127    H    CYS  16           H        CYS  16 -35.192   3.507  -5.539
  128    HA   CYS  16           HA       CYS  16 -32.514   2.722  -5.842
  129   1HB   CYS  16          2HB       CYS  16 -34.018   1.074  -4.049
  130   2HB   CYS  16          1HB       CYS  16 -33.682   0.134  -5.499
  131    H    GLN  17           H        GLN  17 -32.507   2.964  -7.991
  132    HA   GLN  17           HA       GLN  17 -34.338   1.331  -9.588
  133   1HB   GLN  17          2HB       GLN  17 -34.086   4.318  -9.703
  134   2HB   GLN  17          1HB       GLN  17 -34.536   3.408 -11.139
  135   1HG   GLN  17          2HG       GLN  17 -36.045   2.854  -8.654
  136   2HG   GLN  17          1HG       GLN  17 -36.330   4.401  -9.450
  137   1HE2  GLN  17          2HE2      GLN  17 -37.661   2.888 -12.417
  138   2HE2  GLN  17          1HE2      GLN  17 -36.586   4.144 -11.914
  139    H    LEU  18           H        LEU  18 -31.337   2.989  -9.206
  140    HA   LEU  18           HA       LEU  18 -30.039   1.379 -11.158
  141   1HB   LEU  18          2HB       LEU  18 -30.892   4.133 -11.843
  142   2HB   LEU  18          1HB       LEU  18 -29.247   3.724 -12.279
  143    HG   LEU  18           HG       LEU  18 -31.088   1.640 -13.113
  144   1HD1  LEU  18          3HD1      LEU  18 -31.636   4.435 -14.068
  145   2HD1  LEU  18          2HD1      LEU  18 -32.111   2.991 -14.963
  146   3HD1  LEU  18          1HD1      LEU  18 -32.770   3.287 -13.355
  147   1HD2  LEU  18          1HD2      LEU  18 -28.724   2.100 -13.886
  148   2HD2  LEU  18          3HD2      LEU  18 -29.909   1.768 -15.148
  149   3HD2  LEU  18          2HD2      LEU  18 -29.397   3.426 -14.834
  150    H    ALA  19           H        ALA  19 -27.732   2.466 -11.581
  151    HA   ALA  19           HA       ALA  19 -26.344   2.356  -9.173
  152   1HB   ALA  19          1HB       ALA  19 -25.412   1.984 -11.473
  153   2HB   ALA  19          3HB       ALA  19 -25.367   3.737 -11.658
  154   3HB   ALA  19          2HB       ALA  19 -24.403   2.959 -10.403
  155    H    ASN  20           H        ASN  20 -26.485   3.739  -7.539
  156    HA   ASN  20           HA       ASN  20 -25.666   6.414  -7.757
  157   1HB   ASN  20          2HB       ASN  20 -27.866   6.735  -8.802
  158   2HB   ASN  20          1HB       ASN  20 -28.645   6.053  -7.378
  159   1HD2  ASN  20          2HD2      ASN  20 -26.705   9.266  -6.054
  160   2HD2  ASN  20          1HD2      ASN  20 -25.946   7.772  -6.476
  161    H    GLN  21           H        GLN  21 -28.320   6.112  -5.643
  162    HA   GLN  21           HA       GLN  21 -26.923   6.536  -3.317
  163   1HB   GLN  21          2HB       GLN  21 -29.491   4.962  -3.576
  164   2HB   GLN  21          1HB       GLN  21 -28.900   5.747  -2.117
  165   1HG   GLN  21          2HG       GLN  21 -30.145   6.926  -4.540
  166   2HG   GLN  21          1HG       GLN  21 -30.411   7.294  -2.837
  167   1HE2  GLN  21          2HE2      GLN  21 -27.498   9.414  -2.638
  168   2HE2  GLN  21          1HE2      GLN  21 -28.265   8.130  -1.774
  169    H    CYS  22           H        CYS  22 -28.154   3.392  -4.460
  170    HA   CYS  22           HA       CYS  22 -27.053   1.813  -2.460
  171   1HB   CYS  22          2HB       CYS  22 -28.703   1.177  -4.332
  172   2HB   CYS  22          1HB       CYS  22 -27.272   0.876  -5.311
  173    H    ASN  23           H        ASN  23 -25.696   2.374  -5.720
  174    HA   ASN  23           HA       ASN  23 -23.314   1.018  -5.406
  175   1HB   ASN  23          2HB       ASN  23 -24.191   2.090  -7.515
  176   2HB   ASN  23          1HB       ASN  23 -23.599   3.631  -6.902
  177   1HD2  ASN  23          2HD2      ASN  23 -20.693   0.831  -7.517
  178   2HD2  ASN  23          1HD2      ASN  23 -22.121   0.447  -6.624
  179    H    TYR  24           H        TYR  24 -23.639   4.561  -5.090
  180    HA   TYR  24           HA       TYR  24 -21.165   5.056  -3.966
  181   1HB   TYR  24          2HB       TYR  24 -22.028   7.112  -4.292
  182   2HB   TYR  24          1HB       TYR  24 -23.669   6.486  -4.283
  183    HD1  TYR  24           HD1      TYR  24 -21.012   6.836  -1.683
  184    HD2  TYR  24           HD2      TYR  24 -25.014   7.678  -2.851
  185    HE1  TYR  24           HE1      TYR  24 -21.403   7.917   0.481
  186    HE2  TYR  24           HE2      TYR  24 -25.420   8.766  -0.682
  187    HH   TYR  24           HH       TYR  24 -24.526   8.766   1.579
  188    H    ASP  25           H        ASP  25 -24.219   4.306  -2.300
  189    HA   ASP  25           HA       ASP  25 -23.365   4.549   0.315
  190   1HB   ASP  25          2HB       ASP  25 -25.413   2.770  -0.978
  191   2HB   ASP  25          1HB       ASP  25 -25.072   2.633   0.744
  192    H    CYS  26           H        CYS  26 -23.538   1.414  -1.424
  193    HA   CYS  26           HA       CYS  26 -22.120  -0.056   0.444
  194   1HB   CYS  26          2HB       CYS  26 -22.164  -0.327  -2.571
  195   2HB   CYS  26          1HB       CYS  26 -21.436  -1.518  -1.501
  196    H    LYS  27           H        LYS  27 -20.895   1.689  -2.379
  197    HA   LYS  27           HA       LYS  27 -18.177   1.171  -1.977
  198   1HB   LYS  27          2HB       LYS  27 -19.524   2.215  -3.992
  199   2HB   LYS  27          1HB       LYS  27 -19.047   3.729  -3.238
  200   1HG   LYS  27          2HG       LYS  27 -16.771   3.317  -3.581
  201   2HG   LYS  27          1HG       LYS  27 -17.037   1.600  -3.882
  202   1HD   LYS  27          2HD       LYS  27 -17.876   1.975  -6.019
  203   2HD   LYS  27          1HD       LYS  27 -18.248   3.667  -5.679
  204   1HE   LYS  27          2HE       LYS  27 -15.412   2.760  -5.568
  205   2HE   LYS  27          1HE       LYS  27 -16.166   3.001  -7.143
  206   1HZ   LYS  27          3HZ       LYS  27 -16.480   5.125  -5.163
  207   2HZ   LYS  27          2HZ       LYS  27 -14.951   4.942  -5.863
  208   3HZ   LYS  27          1HZ       LYS  27 -16.300   5.230  -6.842
  209    H    LEU  28           H        LEU  28 -19.844   2.456   0.380
  210    HA   LEU  28           HA       LEU  28 -17.595   3.909   1.419
  211   1HB   LEU  28          2HB       LEU  28 -18.587   5.625  -0.006
  212   2HB   LEU  28          1HB       LEU  28 -20.125   5.433   0.811
  213    HG   LEU  28           HG       LEU  28 -18.780   7.446   1.495
  214   1HD1  LEU  28          3HD1      LEU  28 -20.456   5.922   2.981
  215   2HD1  LEU  28          2HD1      LEU  28 -19.012   5.902   3.991
  216   3HD1  LEU  28          1HD1      LEU  28 -19.739   7.436   3.527
  217   1HD2  LEU  28          2HD2      LEU  28 -16.609   6.094   1.432
  218   2HD2  LEU  28          1HD2      LEU  28 -16.819   7.251   2.747
  219   3HD2  LEU  28          3HD2      LEU  28 -17.066   5.528   3.038
  220    H    ASP  29           H        ASP  29 -21.039   3.168   1.793
  221    HA   ASP  29           HA       ASP  29 -21.137   3.634   4.585
  222   1HB   ASP  29          2HB       ASP  29 -22.883   1.961   2.772
  223   2HB   ASP  29          1HB       ASP  29 -23.239   2.256   4.472
  224    H    LYS  30           H        LYS  30 -20.748   0.669   2.670
  225    HA   LYS  30           HA       LYS  30 -20.061  -0.799   5.120
  226   1HB   LYS  30          2HB       LYS  30 -20.759  -1.751   2.339
  227   2HB   LYS  30          1HB       LYS  30 -20.262  -2.816   3.647
  228   1HG   LYS  30          2HG       LYS  30 -22.321  -1.321   4.759
  229   2HG   LYS  30          1HG       LYS  30 -22.863  -1.624   3.108
  230   1HD   LYS  30          2HD       LYS  30 -23.680  -3.460   4.265
  231   2HD   LYS  30          1HD       LYS  30 -22.169  -4.076   3.592
  232   1HE   LYS  30          2HE       LYS  30 -22.624  -3.076   6.402
  233   2HE   LYS  30          1HE       LYS  30 -22.383  -4.751   5.908
  234   1HZ   LYS  30          3HZ       LYS  30 -20.371  -2.598   5.544
  235   2HZ   LYS  30          2HZ       LYS  30 -20.375  -3.690   6.837
  236   3HZ   LYS  30          1HZ       LYS  30 -20.152  -4.253   5.258
  237    H    HIS  31           H        HIS  31 -18.471   1.047   3.060
  238    HA   HIS  31           HA       HIS  31 -16.319   1.227   2.348
  239   1HB   HIS  31          2HB       HIS  31 -15.324  -0.987   4.052
  240   2HB   HIS  31          1HB       HIS  31 -14.751   0.672   3.909
  241    HD1  HIS  31           HD1      HIS  31 -15.668  -1.221   6.507
  242    HD2  HIS  31           HD2      HIS  31 -17.395   2.242   4.994
  243    HE1  HIS  31           HE1      HIS  31 -16.959  -0.222   8.420
  244    HE2  HIS  31           HE2      HIS  31 -18.073   1.820   7.453
  245    H    ALA  32           H        ALA  32 -18.040  -0.500   0.886
  246    HA   ALA  32           HA       ALA  32 -16.474  -2.840   0.186
  247   1HB   ALA  32          3HB       ALA  32 -19.077  -2.590   0.270
  248   2HB   ALA  32          2HB       ALA  32 -18.867  -1.977  -1.370
  249   3HB   ALA  32          1HB       ALA  32 -18.315  -3.602  -0.958
  250    H    ARG  33           H        ARG  33 -16.668  -3.171  -2.426
  251    HA   ARG  33           HA       ARG  33 -14.917  -1.101  -3.496
  252   1HB   ARG  33          2HB       ARG  33 -14.503  -3.667  -3.569
  253   2HB   ARG  33          1HB       ARG  33 -15.655  -3.652  -4.897
  254   1HG   ARG  33          2HG       ARG  33 -13.763  -3.398  -6.111
  255   2HG   ARG  33          1HG       ARG  33 -14.048  -1.698  -5.733
  256   1HD   ARG  33          2HD       ARG  33 -12.547  -1.927  -3.777
  257   2HD   ARG  33          1HD       ARG  33 -12.212  -3.587  -4.266
  258    HE   ARG  33           HE       ARG  33 -11.031  -2.768  -6.143
  259   1HH1  ARG  33          1HH2      ARG  33 -12.170  -0.234  -4.031
  260   2HH1  ARG  33          2HH2      ARG  33 -11.071   0.950  -4.654
  261   1HH2  ARG  33          2HH1      ARG  33  -9.585  -1.213  -6.965
  262   2HH2  ARG  33          1HH1      ARG  33  -9.608   0.396  -6.324
  263    H    SER  34           H        SER  34 -18.103  -2.390  -3.831
  264    HA   SER  34           HA       SER  34 -19.065  -0.220  -5.323
  265   1HB   SER  34          2HB       SER  34 -19.507  -1.248  -7.485
  266   2HB   SER  34          1HB       SER  34 -17.776  -1.308  -7.159
  267    HG   SER  34           HG       SER  34 -18.776  -3.297  -7.963
  268    H    GLY  35           H        GLY  35 -21.205  -1.435  -6.666
  269   1HA   GLY  35          2HA       GLY  35 -22.594  -3.468  -5.549
  270   2HA   GLY  35          1HA       GLY  35 -22.825  -2.169  -4.390
  271    H    GLU  36           H        GLU  36 -25.056  -3.061  -5.372
  272    HA   GLU  36           HA       GLU  36 -26.251  -0.864  -6.643
  273   1HB   GLU  36          2HB       GLU  36 -24.904  -2.122  -8.535
  274   2HB   GLU  36          1HB       GLU  36 -26.284  -3.210  -8.501
  275   1HG   GLU  36          2HG       GLU  36 -27.783  -1.400  -9.021
  276   2HG   GLU  36          1HG       GLU  36 -26.461  -0.237  -8.923
  277    H    CYS  37           H        CYS  37 -28.568  -1.313  -7.201
  278    HA   CYS  37           HA       CYS  37 -29.653  -3.143  -5.233
  279   1HB   CYS  37          2HB       CYS  37 -30.511  -0.706  -6.480
  280   2HB   CYS  37          1HB       CYS  37 -31.749  -1.930  -6.730
  281    H    PHE  38           H        PHE  38 -30.736  -5.001  -5.631
  282    HA   PHE  38           HA       PHE  38 -31.438  -5.718  -8.367
  283   1HB   PHE  38          2HB       PHE  38 -29.354  -7.104  -6.714
  284   2HB   PHE  38          1HB       PHE  38 -30.318  -8.026  -7.863
  285    HD1  PHE  38           HD2      PHE  38 -30.481  -6.862 -10.263
  286    HD2  PHE  38           HD1      PHE  38 -27.343  -6.291  -7.446
  287    HE1  PHE  38           HE2      PHE  38 -28.978  -6.173 -12.084
  288    HE2  PHE  38           HE1      PHE  38 -25.834  -5.598  -9.263
  289    HZ   PHE  38           HZ       PHE  38 -26.651  -5.540 -11.585
  290    H    TYR  39           H        TYR  39 -32.726  -7.729  -8.459
  291    HA   TYR  39           HA       TYR  39 -34.569  -7.790  -6.230
  292   1HB   TYR  39          2HB       TYR  39 -34.591  -8.942  -9.003
  293   2HB   TYR  39          1HB       TYR  39 -35.757  -9.479  -7.800
  294    HD1  TYR  39           HD2      TYR  39 -34.433  -6.320  -9.293
  295    HD2  TYR  39           HD1      TYR  39 -37.774  -8.373  -7.645
  296    HE1  TYR  39           HE2      TYR  39 -35.872  -4.400  -9.837
  297    HE2  TYR  39           HE1      TYR  39 -39.224  -6.460  -8.189
  298    HH   TYR  39           HH       TYR  39 -38.776  -3.853  -8.534
  299    H    ASP  40           H        ASP  40 -35.530 -10.092  -5.794
  300    HA   ASP  40           HA       ASP  40 -33.272 -11.863  -5.119
  301   1HB   ASP  40          2HB       ASP  40 -34.579 -12.652  -3.246
  302   2HB   ASP  40          1HB       ASP  40 -34.549 -10.892  -3.200
  303    H    GLU  41           H        GLU  41 -34.077 -14.224  -4.828
  304    HA   GLU  41           HA       GLU  41 -34.899 -15.132  -7.363
  305   1HB   GLU  41          2HB       GLU  41 -34.606 -16.537  -4.714
  306   2HB   GLU  41          1HB       GLU  41 -35.051 -17.380  -6.192
  307   1HG   GLU  41          2HG       GLU  41 -32.753 -17.693  -6.013
  308   2HG   GLU  41          1HG       GLU  41 -32.925 -16.395  -7.194
  309    H    LYS  42           H        LYS  42 -36.852 -13.364  -6.021
  310    HA   LYS  42           HA       LYS  42 -39.190 -15.043  -6.477
  311   1HB   LYS  42          2HB       LYS  42 -38.370 -14.080  -3.870
  312   2HB   LYS  42          1HB       LYS  42 -39.948 -13.433  -4.296
  313   1HG   LYS  42          2HG       LYS  42 -40.930 -15.520  -4.376
  314   2HG   LYS  42          1HG       LYS  42 -39.395 -16.350  -4.629
  315   1HD   LYS  42          2HD       LYS  42 -40.139 -14.930  -2.078
  316   2HD   LYS  42          1HD       LYS  42 -40.400 -16.652  -2.355
  317   1HE   LYS  42          2HE       LYS  42 -37.869 -15.152  -1.924
  318   2HE   LYS  42          1HE       LYS  42 -38.372 -16.721  -1.300
  319   1HZ   LYS  42          2HZ       LYS  42 -37.607 -16.210  -4.122
  320   2HZ   LYS  42          1HZ       LYS  42 -36.569 -16.854  -2.952
  321   3HZ   LYS  42          3HZ       LYS  42 -37.950 -17.712  -3.425
  322    H    ARG  43           H        ARG  43 -38.725 -11.784  -5.145
  323    HA   ARG  43           HA       ARG  43 -39.026 -10.235  -7.366
  324   1HB   ARG  43          2HB       ARG  43 -41.124 -11.145  -7.959
  325   2HB   ARG  43          1HB       ARG  43 -41.694 -11.132  -6.296
  326   1HG   ARG  43          2HG       ARG  43 -42.493  -9.042  -6.487
  327   2HG   ARG  43          1HG       ARG  43 -41.013  -8.462  -7.249
  328   1HD   ARG  43          2HD       ARG  43 -43.256  -9.924  -8.633
  329   2HD   ARG  43          1HD       ARG  43 -42.934  -8.195  -8.721
  330    HE   ARG  43           HE       ARG  43 -41.071 -10.245  -9.732
  331   1HH1  ARG  43          1HH2      ARG  43 -42.662  -7.146 -10.031
  332   2HH1  ARG  43          2HH2      ARG  43 -41.850  -6.738 -11.503
  333   1HH2  ARG  43          2HH1      ARG  43 -40.005  -9.699 -11.660
  334   2HH2  ARG  43          1HH1      ARG  43 -40.344  -8.185 -12.430
  335    H    ASN  44           H        ASN  44 -37.556  -9.441  -5.588
  336    HA   ASN  44           HA       ASN  44 -38.970  -7.375  -4.070
  337   1HB   ASN  44          2HB       ASN  44 -36.910  -9.228  -2.847
  338   2HB   ASN  44          1HB       ASN  44 -37.620  -7.824  -2.055
  339   1HD2  ASN  44          2HD2      ASN  44 -39.417 -11.343  -1.822
  340   2HD2  ASN  44          1HD2      ASN  44 -37.795 -11.091  -2.362
  341    H    LEU  45           H        LEU  45 -36.544  -6.588  -2.667
  342    HA   LEU  45           HA       LEU  45 -34.639  -5.968  -4.770
  343   1HB   LEU  45          2HB       LEU  45 -36.522  -4.003  -3.585
  344   2HB   LEU  45          1HB       LEU  45 -34.864  -3.469  -3.751
  345    HG   LEU  45           HG       LEU  45 -35.312  -4.453  -6.257
  346   1HD1  LEU  45          1HD1      LEU  45 -37.939  -3.333  -5.295
  347   2HD1  LEU  45          3HD1      LEU  45 -37.513  -3.620  -6.982
  348   3HD1  LEU  45          2HD1      LEU  45 -37.637  -4.974  -5.860
  349   1HD2  LEU  45          2HD2      LEU  45 -35.686  -1.716  -5.093
  350   2HD2  LEU  45          1HD2      LEU  45 -34.340  -2.346  -6.042
  351   3HD2  LEU  45          3HD2      LEU  45 -35.887  -2.010  -6.819
  352    H    GLN  46           H        GLN  46 -32.603  -5.712  -4.030
  353    HA   GLN  46           HA       GLN  46 -32.127  -5.204  -1.201
  354   1HB   GLN  46          2HB       GLN  46 -31.522  -7.774  -2.609
  355   2HB   GLN  46          1HB       GLN  46 -30.415  -7.208  -1.365
  356   1HG   GLN  46          2HG       GLN  46 -31.969  -7.456   0.320
  357   2HG   GLN  46          1HG       GLN  46 -33.337  -7.380  -0.788
  358   1HE2  GLN  46          2HE2      GLN  46 -33.294 -10.792  -1.598
  359   2HE2  GLN  46          1HE2      GLN  46 -33.804  -9.215  -2.084
  360    H    CYS  47           H        CYS  47 -30.210  -4.183  -0.806
  361    HA   CYS  47           HA       CYS  47 -28.772  -3.185  -3.108
  362   1HB   CYS  47          2HB       CYS  47 -29.161  -2.380  -0.345
  363   2HB   CYS  47          1HB       CYS  47 -27.462  -2.290  -0.790
  364    H    ILE  48           H        ILE  48 -27.473  -4.712  -3.992
  365    HA   ILE  48           HA       ILE  48 -25.901  -6.487  -2.342
  366    HB   ILE  48           HB       ILE  48 -25.929  -6.114  -5.339
  367   1HG1  ILE  48          2HG1      ILE  48 -27.966  -7.088  -3.946
  368   2HG1  ILE  48          1HG1      ILE  48 -27.481  -7.808  -5.478
  369   1HG2  ILE  48          1HG2      ILE  48 -24.474  -8.050  -3.569
  370   2HG2  ILE  48          3HG2      ILE  48 -24.825  -8.411  -5.259
  371   3HG2  ILE  48          2HG2      ILE  48 -23.826  -7.019  -4.844
  372   1HD1  ILE  48          1HD1      ILE  48 -26.379  -8.825  -2.893
  373   2HD1  ILE  48          3HD1      ILE  48 -27.957  -9.346  -3.482
  374   3HD1  ILE  48          2HD1      ILE  48 -26.513  -9.645  -4.449
  375    H    CYS  49           H        CYS  49 -24.100  -5.797  -1.400
  376    HA   CYS  49           HA       CYS  49 -22.497  -3.699  -2.666
  377   1HB   CYS  49          2HB       CYS  49 -22.244  -4.943   0.082
  378   2HB   CYS  49          1HB       CYS  49 -21.315  -3.574  -0.514
  379    H    ASP  50           H        ASP  50 -20.865  -4.284  -3.930
  380    HA   ASP  50           HA       ASP  50 -19.713  -6.962  -3.663
  381   1HB   ASP  50          2HB       ASP  50 -18.844  -5.102  -5.826
  382   2HB   ASP  50          1HB       ASP  50 -19.129  -6.840  -5.880
  383    H    TYR  51           H        TYR  51 -17.572  -7.358  -3.304
  384    HA   TYR  51           HA       TYR  51 -15.998  -5.066  -2.317
  385   1HB   TYR  51          2HB       TYR  51 -16.139  -7.936  -1.425
  386   2HB   TYR  51          1HB       TYR  51 -14.837  -6.858  -0.927
  387    HD1  TYR  51           HD1      TYR  51 -18.574  -6.753  -1.142
  388    HD2  TYR  51           HD2      TYR  51 -15.098  -5.906   1.162
  389    HE1  TYR  51           HE1      TYR  51 -19.995  -5.912   0.675
  390    HE2  TYR  51           HE2      TYR  51 -16.512  -5.062   2.989
  391    HH   TYR  51           HH       TYR  51 -20.037  -5.249   2.828
  392    H    CYS  52           H        CYS  52 -16.008  -7.846  -4.423
  393    HA   CYS  52           HA       CYS  52 -13.150  -7.541  -4.983
  394   1HB   CYS  52          2HB       CYS  52 -15.198  -9.596  -5.802
  395   2HB   CYS  52          1HB       CYS  52 -13.598  -9.527  -6.530
  396    H    GLU  53           H        GLU  53 -14.860  -8.732  -7.620
  397    HA   GLU  53           HA       GLU  53 -15.048  -7.976  -9.764
  398   1HB   GLU  53          2HB       GLU  53 -17.046  -6.968  -8.854
  399   2HB   GLU  53          1HB       GLU  53 -16.129  -5.598  -8.242
  400   1HG   GLU  53          2HG       GLU  53 -15.855  -6.037 -11.127
  401   2HG   GLU  53          1HG       GLU  53 -17.493  -5.645 -10.606
  402    H    TYR  54           HN       TYR  54 -13.183  -7.688 -10.821
  403    HA   TYR  54           HA       TYR  54 -11.547  -5.324 -10.203
  404   1HB   TYR  54          2HB       TYR  54 -10.931  -8.073 -10.864
  405   2HB   TYR  54          1HB       TYR  54 -10.137  -6.987 -11.998
  406    HD1  TYR  54           HD2      TYR  54 -10.771  -7.131  -8.312
  407    HD2  TYR  54           HD1      TYR  54  -7.994  -6.384 -11.447
  408    HE1  TYR  54           HE2      TYR  54  -9.017  -6.683  -6.647
  409    HE2  TYR  54           HE1      TYR  54  -6.234  -5.931  -9.791
  410    HH   TYR  54           HH       TYR  54  -6.332  -6.835  -6.715
   
  No H/Q in entry =         410
  Start of MODEL   15
    1    HN   PCA   1           HN       PCA   1 -15.642 -19.112   1.618
    2    HA   PCA   1           HA       PCA   1 -16.853 -16.876   1.435
    3   1HB   PCA   1          1HB       PCA   1 -16.179 -15.293   2.903
    4   2HB   PCA   1          2HB       PCA   1 -14.578 -15.227   2.127
    5   1HG   PCA   1          1HG       PCA   1 -15.321 -16.517   4.614
    6   2HG   PCA   1          2HG       PCA   1 -13.718 -16.433   3.864
    7    H    ASP   2           H        ASP   2 -16.743 -15.802  -0.504
    8    HA   ASP   2           HA       ASP   2 -14.310 -15.428  -1.946
    9   1HB   ASP   2          2HB       ASP   2 -14.972 -17.945  -2.201
   10   2HB   ASP   2          1HB       ASP   2 -16.188 -17.326  -3.315
   11    H    LYS   3           H        LYS   3 -17.829 -15.629  -2.041
   12    HA   LYS   3           HA       LYS   3 -18.562 -14.354  -4.284
   13   1HB   LYS   3          2HB       LYS   3 -19.884 -14.973  -2.056
   14   2HB   LYS   3          1HB       LYS   3 -19.744 -13.245  -1.774
   15   1HG   LYS   3          2HG       LYS   3 -21.039 -12.710  -3.632
   16   2HG   LYS   3          1HG       LYS   3 -20.820 -14.299  -4.365
   17   1HD   LYS   3          2HD       LYS   3 -22.335 -13.814  -1.803
   18   2HD   LYS   3          1HD       LYS   3 -23.089 -13.912  -3.394
   19   1HE   LYS   3          2HE       LYS   3 -21.750 -16.191  -3.490
   20   2HE   LYS   3          1HE       LYS   3 -21.854 -16.052  -1.735
   21   1HZ   LYS   3          3HZ       LYS   3 -24.194 -15.911  -3.555
   22   2HZ   LYS   3          2HZ       LYS   3 -23.702 -17.313  -2.748
   23   3HZ   LYS   3          1HZ       LYS   3 -24.221 -15.968  -1.864
   24    H    CYS   4           H        CYS   4 -18.361 -12.448  -5.246
   25    HA   CYS   4           HA       CYS   4 -16.649 -10.453  -3.976
   26   1HB   CYS   4          2HB       CYS   4 -17.454 -11.082  -6.788
   27   2HB   CYS   4          1HB       CYS   4 -16.833  -9.478  -6.403
   28    H    LYS   5           H        LYS   5 -19.806 -11.007  -3.911
   29    HA   LYS   5           HA       LYS   5 -20.444  -8.180  -3.622
   30   1HB   LYS   5          2HB       LYS   5 -22.670  -8.647  -4.837
   31   2HB   LYS   5          1HB       LYS   5 -21.232  -8.369  -5.806
   32   1HG   LYS   5          2HG       LYS   5 -22.051 -10.185  -6.892
   33   2HG   LYS   5          1HG       LYS   5 -21.085 -11.018  -5.675
   34   1HD   LYS   5          2HD       LYS   5 -23.077 -11.282  -4.276
   35   2HD   LYS   5          1HD       LYS   5 -24.040 -10.437  -5.488
   36   1HE   LYS   5          2HE       LYS   5 -23.110 -12.276  -7.091
   37   2HE   LYS   5          1HE       LYS   5 -22.824 -13.162  -5.594
   38   1HZ   LYS   5          1HZ       LYS   5 -25.456 -11.967  -5.903
   39   2HZ   LYS   5          3HZ       LYS   5 -25.108 -13.269  -6.926
   40   3HZ   LYS   5          2HZ       LYS   5 -25.017 -13.462  -5.248
   41    H    LYS   6           H        LYS   6 -22.314  -7.774  -2.314
   42    HA   LYS   6           HA       LYS   6 -23.556 -10.065  -1.014
   43   1HB   LYS   6          2HB       LYS   6 -22.893  -9.543   1.191
   44   2HB   LYS   6          1HB       LYS   6 -21.417  -9.497   0.235
   45   1HG   LYS   6          2HG       LYS   6 -21.928  -6.959   0.049
   46   2HG   LYS   6          1HG       LYS   6 -22.951  -7.249   1.457
   47   1HD   LYS   6          2HD       LYS   6 -20.020  -7.937   1.261
   48   2HD   LYS   6          1HD       LYS   6 -20.677  -6.510   2.065
   49   1HE   LYS   6          2HE       LYS   6 -20.609  -7.821   3.904
   50   2HE   LYS   6          1HE       LYS   6 -22.115  -8.479   3.263
   51   1HZ   LYS   6          1HZ       LYS   6 -19.547  -9.642   2.423
   52   2HZ   LYS   6          3HZ       LYS   6 -20.199 -10.061   3.928
   53   3HZ   LYS   6          2HZ       LYS   6 -21.072 -10.366   2.511
   54    H    VAL   7           H        VAL   7 -25.626  -9.698  -0.608
   55    HA   VAL   7           HA       VAL   7 -26.889  -7.283  -1.307
   56    HB   VAL   7           HB       VAL   7 -28.932  -8.248  -0.586
   57   1HG1  VAL   7          3HG1      VAL   7 -26.997  -9.929  -2.024
   58   2HG1  VAL   7          2HG1      VAL   7 -28.369 -10.809  -1.353
   59   3HG1  VAL   7          1HG1      VAL   7 -28.641  -9.462  -2.456
   60   1HG2  VAL   7          1HG2      VAL   7 -27.189  -9.962   1.145
   61   2HG2  VAL   7          3HG2      VAL   7 -28.568  -8.958   1.596
   62   3HG2  VAL   7          2HG2      VAL   7 -28.825 -10.467   0.720
   63    H    TYR   8           H        TYR   8 -27.871  -5.696  -0.083
   64    HA   TYR   8           HA       TYR   8 -26.719  -5.315   2.574
   65   1HB   TYR   8          2HB       TYR   8 -26.970  -3.517   0.664
   66   2HB   TYR   8          1HB       TYR   8 -28.606  -3.372   1.292
   67    HD1  TYR   8           HD1      TYR   8 -28.701  -3.144   3.958
   68    HD2  TYR   8           HD2      TYR   8 -25.384  -2.087   1.515
   69    HE1  TYR   8           HE1      TYR   8 -27.893  -1.632   5.721
   70    HE2  TYR   8           HE2      TYR   8 -24.565  -0.574   3.269
   71    HH   TYR   8           HH       TYR   8 -25.567   0.705   5.213
   72    H    GLU   9           H        GLU   9 -27.964  -7.113   3.438
   73    HA   GLU   9           HA       GLU   9 -30.754  -7.223   3.469
   74   1HB   GLU   9          2HB       GLU   9 -30.318  -8.569   5.650
   75   2HB   GLU   9          1HB       GLU   9 -29.737  -9.198   4.115
   76   1HG   GLU   9          2HG       GLU   9 -27.533  -8.753   4.608
   77   2HG   GLU   9          1HG       GLU   9 -27.939  -7.507   5.786
   78    H    ASN  10           H        ASN  10 -31.408  -5.046   3.848
   79    HA   ASN  10           HA       ASN  10 -32.603  -4.398   6.112
   80   1HB   ASN  10          2HB       ASN  10 -30.867  -4.494   7.629
   81   2HB   ASN  10          1HB       ASN  10 -29.678  -3.899   6.475
   82   1HD2  ASN  10          2HD2      ASN  10 -32.102  -1.200   8.384
   83   2HD2  ASN  10          1HD2      ASN  10 -32.693  -2.770   7.977
   84    H    TYR  11           H        TYR  11 -31.277  -3.514   3.227
   85    HA   TYR  11           HA       TYR  11 -31.232  -0.758   3.199
   86   1HB   TYR  11          2HB       TYR  11 -30.728  -2.555   1.338
   87   2HB   TYR  11          1HB       TYR  11 -32.369  -2.166   0.835
   88    HD1  TYR  11           HD2      TYR  11 -29.054  -0.652   1.538
   89    HD2  TYR  11           HD1      TYR  11 -32.811  -0.226  -0.410
   90    HE1  TYR  11           HE2      TYR  11 -28.219   1.351   0.381
   91    HE2  TYR  11           HE1      TYR  11 -31.988   1.777  -1.567
   92    HH   TYR  11           HH       TYR  11 -28.646   2.729  -1.453
   93    HA   PRO  12           HA       PRO  12 -35.544   0.296   4.026
   94   1HB   PRO  12          2HB       PRO  12 -34.971   2.851   2.654
   95   2HB   PRO  12          1HB       PRO  12 -35.553   2.560   4.295
   96   1HG   PRO  12          2HG       PRO  12 -33.049   3.383   3.779
   97   2HG   PRO  12          1HG       PRO  12 -33.440   2.320   5.142
   98   1HD   PRO  12          2HD       PRO  12 -32.155   1.667   2.533
   99   2HD   PRO  12          1HD       PRO  12 -31.877   0.991   4.151
  100    H    VAL  13           H        VAL  13 -35.113  -1.282   1.763
  101    HA   VAL  13           HA       VAL  13 -35.599  -1.231  -0.633
  102    HB   VAL  13           HB       VAL  13 -38.138  -1.736   0.892
  103   1HG1  VAL  13          1HG1      VAL  13 -37.129  -2.582  -1.804
  104   2HG1  VAL  13          3HG1      VAL  13 -38.429  -3.436  -0.974
  105   3HG1  VAL  13          2HG1      VAL  13 -38.624  -1.737  -1.404
  106   1HG2  VAL  13          2HG2      VAL  13 -35.700  -3.443   0.490
  107   2HG2  VAL  13          1HG2      VAL  13 -36.525  -3.041   1.997
  108   3HG2  VAL  13          3HG2      VAL  13 -37.281  -4.139   0.842
  109    H    SER  14           H        SER  14 -35.541   0.749  -1.594
  110    HA   SER  14           HA       SER  14 -38.016   1.856  -2.426
  111   1HB   SER  14          2HB       SER  14 -37.891   4.054  -1.423
  112   2HB   SER  14          1HB       SER  14 -37.857   2.848  -0.136
  113    HG   SER  14           HG       SER  14 -35.934   4.652  -0.914
  114    H    LYS  15           H        LYS  15 -35.416   4.081  -1.913
  115    HA   LYS  15           HA       LYS  15 -35.100   4.611  -4.669
  116   1HB   LYS  15          2HB       LYS  15 -34.418   5.924  -2.392
  117   2HB   LYS  15          1HB       LYS  15 -32.845   5.305  -2.869
  118   1HG   LYS  15          2HG       LYS  15 -32.912   6.466  -4.930
  119   2HG   LYS  15          1HG       LYS  15 -34.621   6.856  -4.732
  120   1HD   LYS  15          2HD       LYS  15 -34.174   8.403  -3.012
  121   2HD   LYS  15          1HD       LYS  15 -32.530   7.804  -2.792
  122   1HE   LYS  15          2HE       LYS  15 -32.308   9.844  -3.946
  123   2HE   LYS  15          1HE       LYS  15 -32.082   8.587  -5.161
  124   1HZ   LYS  15          1HZ       LYS  15 -34.786   9.622  -4.769
  125   2HZ   LYS  15          3HZ       LYS  15 -33.675  10.624  -5.558
  126   3HZ   LYS  15          2HZ       LYS  15 -34.027   9.093  -6.184
  127    H    CYS  16           H        CYS  16 -34.131   3.339  -6.141
  128    HA   CYS  16           HA       CYS  16 -31.526   2.288  -5.755
  129   1HB   CYS  16          2HB       CYS  16 -33.714   0.674  -4.820
  130   2HB   CYS  16          1HB       CYS  16 -32.903  -0.162  -6.141
  131    H    GLN  17           H        GLN  17 -34.253   2.892  -7.685
  132    HA   GLN  17           HA       GLN  17 -33.407   1.354  -9.962
  133   1HB   GLN  17          2HB       GLN  17 -35.338   3.618 -10.205
  134   2HB   GLN  17          1HB       GLN  17 -35.360   2.038 -10.978
  135   1HG   GLN  17          2HG       GLN  17 -35.930   2.527  -8.066
  136   2HG   GLN  17          1HG       GLN  17 -37.159   2.354  -9.319
  137   1HE2  GLN  17          2HE2      GLN  17 -35.601  -0.865  -7.557
  138   2HE2  GLN  17          1HE2      GLN  17 -35.336   0.759  -7.027
  139    H    LEU  18           H        LEU  18 -31.462   3.166  -8.881
  140    HA   LEU  18           HA       LEU  18 -30.566   4.397 -11.282
  141   1HB   LEU  18          2HB       LEU  18 -32.023   5.996  -9.303
  142   2HB   LEU  18          1HB       LEU  18 -30.455   6.666  -9.711
  143    HG   LEU  18           HG       LEU  18 -32.244   5.847 -11.936
  144   1HD1  LEU  18          3HD1      LEU  18 -33.726   7.087 -10.429
  145   2HD1  LEU  18          2HD1      LEU  18 -32.576   8.424 -10.413
  146   3HD1  LEU  18          1HD1      LEU  18 -33.396   7.983 -11.911
  147   1HD2  LEU  18          2HD2      LEU  18 -29.940   6.651 -12.321
  148   2HD2  LEU  18          1HD2      LEU  18 -31.161   7.675 -13.076
  149   3HD2  LEU  18          3HD2      LEU  18 -30.382   8.188 -11.580
  150    H    ALA  19           H        ALA  19 -28.464   3.948 -11.227
  151    HA   ALA  19           HA       ALA  19 -27.017   3.159  -8.975
  152   1HB   ALA  19          3HB       ALA  19 -26.154   4.184 -11.666
  153   2HB   ALA  19          2HB       ALA  19 -24.994   3.685 -10.433
  154   3HB   ALA  19          1HB       ALA  19 -26.162   2.525 -11.068
  155    H    ASN  20           H        ASN  20 -27.023   4.497  -7.238
  156    HA   ASN  20           HA       ASN  20 -25.280   6.738  -7.261
  157   1HB   ASN  20          2HB       ASN  20 -27.209   7.836  -8.288
  158   2HB   ASN  20          1HB       ASN  20 -28.235   7.314  -6.956
  159   1HD2  ASN  20          2HD2      ASN  20 -25.513   9.618  -5.226
  160   2HD2  ASN  20          1HD2      ASN  20 -25.249   7.986  -5.730
  161    H    GLN  21           H        GLN  21 -28.191   6.584  -5.295
  162    HA   GLN  21           HA       GLN  21 -27.025   6.875  -2.854
  163   1HB   GLN  21          2HB       GLN  21 -29.519   6.753  -3.486
  164   2HB   GLN  21          1HB       GLN  21 -29.367   5.022  -3.217
  165   1HG   GLN  21          2HG       GLN  21 -30.112   5.711  -1.172
  166   2HG   GLN  21          1HG       GLN  21 -28.369   5.766  -0.921
  167   1HE2  GLN  21          2HE2      GLN  21 -28.633   9.004   0.229
  168   2HE2  GLN  21          1HE2      GLN  21 -28.041   7.393   0.429
  169    H    CYS  22           H        CYS  22 -28.021   3.703  -4.152
  170    HA   CYS  22           HA       CYS  22 -26.808   2.158  -2.177
  171   1HB   CYS  22          2HB       CYS  22 -28.481   1.464  -4.004
  172   2HB   CYS  22          1HB       CYS  22 -27.065   1.233  -5.027
  173    H    ASN  23           H        ASN  23 -25.579   2.898  -5.438
  174    HA   ASN  23           HA       ASN  23 -23.155   1.603  -5.280
  175   1HB   ASN  23          2HB       ASN  23 -24.369   3.185  -7.135
  176   2HB   ASN  23          1HB       ASN  23 -23.061   4.245  -6.613
  177   1HD2  ASN  23          2HD2      ASN  23 -20.727   2.648  -8.571
  178   2HD2  ASN  23          1HD2      ASN  23 -21.274   4.061  -7.741
  179    H    TYR  24           H        TYR  24 -23.592   5.102  -4.687
  180    HA   TYR  24           HA       TYR  24 -21.090   5.615  -3.633
  181   1HB   TYR  24          2HB       TYR  24 -22.061   7.652  -3.730
  182   2HB   TYR  24          1HB       TYR  24 -23.672   6.952  -3.682
  183    HD1  TYR  24           HD1      TYR  24 -20.839   7.310  -1.273
  184    HD2  TYR  24           HD2      TYR  24 -24.997   7.809  -2.012
  185    HE1  TYR  24           HE1      TYR  24 -21.134   8.150   1.012
  186    HE2  TYR  24           HE2      TYR  24 -25.306   8.657   0.275
  187    HH   TYR  24           HH       TYR  24 -24.304   8.738   2.361
  188    H    ASP  25           H        ASP  25 -24.034   4.622  -1.911
  189    HA   ASP  25           HA       ASP  25 -23.099   4.673   0.676
  190   1HB   ASP  25          2HB       ASP  25 -25.128   2.983  -0.732
  191   2HB   ASP  25          1HB       ASP  25 -24.698   2.592   0.929
  192    H    CYS  26           H        CYS  26 -23.142   1.722  -1.363
  193    HA   CYS  26           HA       CYS  26 -21.600   0.166   0.350
  194   1HB   CYS  26          2HB       CYS  26 -21.639   0.088  -2.679
  195   2HB   CYS  26          1HB       CYS  26 -21.024  -1.188  -1.636
  196    H    LYS  27           H        LYS  27 -20.645   2.421  -2.176
  197    HA   LYS  27           HA       LYS  27 -17.890   1.954  -2.160
  198   1HB   LYS  27          2HB       LYS  27 -19.326   3.351  -3.780
  199   2HB   LYS  27          1HB       LYS  27 -19.097   4.664  -2.633
  200   1HG   LYS  27          2HG       LYS  27 -17.219   5.153  -3.745
  201   2HG   LYS  27          1HG       LYS  27 -16.529   3.698  -3.025
  202   1HD   LYS  27          2HD       LYS  27 -17.091   2.394  -4.948
  203   2HD   LYS  27          1HD       LYS  27 -18.046   3.710  -5.631
  204   1HE   LYS  27          2HE       LYS  27 -15.818   3.453  -6.688
  205   2HE   LYS  27          1HE       LYS  27 -16.076   5.042  -5.969
  206   1HZ   LYS  27          1HZ       LYS  27 -14.962   3.641  -3.948
  207   2HZ   LYS  27          3HZ       LYS  27 -14.153   3.014  -5.294
  208   3HZ   LYS  27          2HZ       LYS  27 -14.122   4.676  -4.989
  209    H    LEU  28           H        LEU  28 -19.523   2.697   0.524
  210    HA   LEU  28           HA       LEU  28 -17.188   3.783   1.807
  211   1HB   LEU  28          2HB       LEU  28 -18.569   5.715   0.704
  212   2HB   LEU  28          1HB       LEU  28 -19.624   5.494   2.085
  213    HG   LEU  28           HG       LEU  28 -18.216   7.220   2.749
  214   1HD1  LEU  28          3HD1      LEU  28 -18.317   5.317   4.372
  215   2HD1  LEU  28          2HD1      LEU  28 -16.735   4.812   3.779
  216   3HD1  LEU  28          1HD1      LEU  28 -16.926   6.383   4.557
  217   1HD2  LEU  28          3HD2      LEU  28 -16.123   5.733   1.237
  218   2HD2  LEU  28          2HD2      LEU  28 -16.586   7.432   1.150
  219   3HD2  LEU  28          1HD2      LEU  28 -15.640   6.846   2.517
  220    H    ASP  29           H        ASP  29 -20.644   3.052   2.077
  221    HA   ASP  29           HA       ASP  29 -20.687   2.888   4.903
  222   1HB   ASP  29          2HB       ASP  29 -22.505   1.725   2.791
  223   2HB   ASP  29          1HB       ASP  29 -22.817   1.577   4.517
  224    H    LYS  30           H        LYS  30 -20.607   0.323   2.423
  225    HA   LYS  30           HA       LYS  30 -19.726  -1.570   4.491
  226   1HB   LYS  30          2HB       LYS  30 -20.732  -2.110   1.691
  227   2HB   LYS  30          1HB       LYS  30 -20.339  -3.326   2.898
  228   1HG   LYS  30          2HG       LYS  30 -22.385  -1.229   3.477
  229   2HG   LYS  30          1HG       LYS  30 -22.807  -2.655   2.530
  230   1HD   LYS  30          2HD       LYS  30 -21.339  -3.116   5.069
  231   2HD   LYS  30          1HD       LYS  30 -23.006  -2.556   5.209
  232   1HE   LYS  30          2HE       LYS  30 -22.574  -4.757   3.291
  233   2HE   LYS  30          1HE       LYS  30 -22.288  -5.161   4.981
  234   1HZ   LYS  30          3HZ       LYS  30 -24.770  -3.892   3.962
  235   2HZ   LYS  30          2HZ       LYS  30 -24.591  -5.548   4.252
  236   3HZ   LYS  30          1HZ       LYS  30 -24.489  -4.450   5.534
  237    H    HIS  31           H        HIS  31 -17.990   0.454   3.307
  238    HA   HIS  31           HA       HIS  31 -16.032   0.687   2.093
  239   1HB   HIS  31          2HB       HIS  31 -15.276  -1.806   3.600
  240   2HB   HIS  31          1HB       HIS  31 -14.264  -0.421   3.199
  241    HD1  HIS  31           HD1      HIS  31 -15.334  -1.802   6.081
  242    HD2  HIS  31           HD2      HIS  31 -15.997   1.979   4.492
  243    HE1  HIS  31           HE1      HIS  31 -15.923  -0.344   8.043
  244    HE2  HIS  31           HE2      HIS  31 -16.373   1.928   7.050
  245    H    ALA  32           H        ALA  32 -17.876  -0.699   0.495
  246    HA   ALA  32           HA       ALA  32 -16.451  -2.958  -0.655
  247   1HB   ALA  32          3HB       ALA  32 -19.075  -2.542  -0.348
  248   2HB   ALA  32          2HB       ALA  32 -18.878  -1.885  -1.974
  249   3HB   ALA  32          1HB       ALA  32 -18.414  -3.552  -1.631
  250    H    ARG  33           H        ARG  33 -16.779  -2.846  -3.275
  251    HA   ARG  33           HA       ARG  33 -15.106  -0.579  -4.075
  252   1HB   ARG  33          2HB       ARG  33 -14.347  -2.864  -4.626
  253   2HB   ARG  33          1HB       ARG  33 -15.806  -3.111  -5.576
  254   1HG   ARG  33          2HG       ARG  33 -15.102  -1.741  -7.273
  255   2HG   ARG  33          1HG       ARG  33 -14.031  -0.810  -6.223
  256   1HD   ARG  33          2HD       ARG  33 -13.585  -3.656  -7.121
  257   2HD   ARG  33          1HD       ARG  33 -12.776  -2.234  -7.777
  258    HE   ARG  33           HE       ARG  33 -12.470  -2.547  -4.932
  259   1HH1  ARG  33          1HH2      ARG  33 -11.215  -3.397  -8.065
  260   2HH1  ARG  33          2HH2      ARG  33  -9.613  -3.713  -7.485
  261   1HH2  ARG  33          2HH1      ARG  33 -10.365  -2.957  -4.151
  262   2HH2  ARG  33          1HH1      ARG  33  -9.129  -3.459  -5.256
  263    H    SER  34           H        SER  34 -18.258  -1.925  -4.488
  264    HA   SER  34           HA       SER  34 -19.337   0.423  -5.602
  265   1HB   SER  34          2HB       SER  34 -19.415   0.066  -7.854
  266   2HB   SER  34          1HB       SER  34 -18.004  -0.943  -7.540
  267    HG   SER  34           HG       SER  34 -20.136  -1.746  -8.675
  268    H    GLY  35           H        GLY  35 -21.477  -0.801  -7.078
  269   1HA   GLY  35          2HA       GLY  35 -22.692  -2.990  -5.997
  270   2HA   GLY  35          1HA       GLY  35 -23.044  -1.713  -4.846
  271    H    GLU  36           H        GLU  36 -25.248  -2.491  -5.565
  272    HA   GLU  36           HA       GLU  36 -26.480  -0.496  -7.092
  273   1HB   GLU  36          2HB       GLU  36 -25.281  -2.205  -8.799
  274   2HB   GLU  36          1HB       GLU  36 -26.805  -3.048  -8.590
  275   1HG   GLU  36          2HG       GLU  36 -28.035  -1.312  -9.532
  276   2HG   GLU  36          1HG       GLU  36 -26.742  -0.137  -9.296
  277    H    CYS  37           H        CYS  37 -28.513  -2.480  -8.141
  278    HA   CYS  37           HA       CYS  37 -29.579  -3.633  -5.699
  279   1HB   CYS  37          2HB       CYS  37 -30.417  -1.075  -6.588
  280   2HB   CYS  37          1HB       CYS  37 -31.744  -2.181  -6.924
  281    H    PHE  38           H        PHE  38 -30.700  -5.453  -6.080
  282    HA   PHE  38           HA       PHE  38 -31.897  -5.919  -8.687
  283   1HB   PHE  38          2HB       PHE  38 -29.731  -7.720  -7.587
  284   2HB   PHE  38          1HB       PHE  38 -30.710  -8.054  -9.013
  285    HD1  PHE  38           HD2      PHE  38 -30.663  -6.174 -10.845
  286    HD2  PHE  38           HD1      PHE  38 -27.677  -6.726  -7.866
  287    HE1  PHE  38           HE2      PHE  38 -29.050  -4.947 -12.241
  288    HE2  PHE  38           HE1      PHE  38 -26.059  -5.500  -9.254
  289    HZ   PHE  38           HZ       PHE  38 -26.743  -4.609 -11.446
  290    H    TYR  39           H        TYR  39 -32.666  -8.402  -8.638
  291    HA   TYR  39           HA       TYR  39 -34.416  -8.539  -6.319
  292   1HB   TYR  39          2HB       TYR  39 -34.379  -9.874  -9.009
  293   2HB   TYR  39          1HB       TYR  39 -35.390 -10.500  -7.713
  294    HD1  TYR  39           HD2      TYR  39 -34.699  -7.425  -9.685
  295    HD2  TYR  39           HD1      TYR  39 -37.480  -9.560  -7.281
  296    HE1  TYR  39           HE2      TYR  39 -36.434  -5.774 -10.239
  297    HE2  TYR  39           HE1      TYR  39 -39.225  -7.915  -7.826
  298    HH   TYR  39           HH       TYR  39 -39.413  -6.128 -10.130
  299    H    ASP  40           H        ASP  40 -34.941 -11.240  -6.178
  300    HA   ASP  40           HA       ASP  40 -32.693 -12.908  -6.004
  301   1HB   ASP  40          2HB       ASP  40 -33.031 -12.773  -3.254
  302   2HB   ASP  40          1HB       ASP  40 -31.693 -12.067  -4.156
  303    H    GLU  41           H        GLU  41 -33.274 -14.639  -4.043
  304    HA   GLU  41           HA       GLU  41 -35.514 -16.004  -5.018
  305   1HB   GLU  41          2HB       GLU  41 -33.897 -16.296  -2.492
  306   2HB   GLU  41          1HB       GLU  41 -35.260 -17.348  -2.843
  307   1HG   GLU  41          2HG       GLU  41 -33.800 -18.670  -3.900
  308   2HG   GLU  41          1HG       GLU  41 -33.767 -17.447  -5.169
  309    H    LYS  42           H        LYS  42 -35.469 -13.238  -3.264
  310    HA   LYS  42           HA       LYS  42 -37.910 -13.837  -1.744
  311   1HB   LYS  42          2HB       LYS  42 -36.389 -11.244  -1.630
  312   2HB   LYS  42          1HB       LYS  42 -37.459 -11.946  -0.424
  313   1HG   LYS  42          2HG       LYS  42 -34.835 -13.190  -1.198
  314   2HG   LYS  42          1HG       LYS  42 -34.992 -12.002   0.095
  315   1HD   LYS  42          2HD       LYS  42 -35.910 -13.497   1.521
  316   2HD   LYS  42          1HD       LYS  42 -36.918 -14.219   0.267
  317   1HE   LYS  42          2HE       LYS  42 -35.388 -15.881   1.047
  318   2HE   LYS  42          1HE       LYS  42 -34.904 -15.409  -0.581
  319   1HZ   LYS  42          1HZ       LYS  42 -33.569 -13.744   1.211
  320   2HZ   LYS  42          3HZ       LYS  42 -33.394 -15.325   1.787
  321   3HZ   LYS  42          2HZ       LYS  42 -32.907 -14.939   0.214
  322    H    ARG  43           H        ARG  43 -37.110 -12.791  -4.742
  323    HA   ARG  43           HA       ARG  43 -38.203 -11.684  -6.398
  324   1HB   ARG  43          2HB       ARG  43 -40.369 -12.486  -4.519
  325   2HB   ARG  43          1HB       ARG  43 -40.788 -11.324  -5.768
  326   1HG   ARG  43          2HG       ARG  43 -40.969 -12.951  -7.287
  327   2HG   ARG  43          1HG       ARG  43 -39.330 -13.501  -6.956
  328   1HD   ARG  43          2HD       ARG  43 -40.053 -14.999  -5.291
  329   2HD   ARG  43          1HD       ARG  43 -41.647 -14.251  -5.197
  330    HE   ARG  43           HE       ARG  43 -41.536 -15.135  -7.748
  331   1HH1  ARG  43          1HH2      ARG  43 -40.953 -16.660  -4.669
  332   2HH1  ARG  43          2HH2      ARG  43 -41.454 -18.229  -5.206
  333   1HH2  ARG  43          2HH1      ARG  43 -42.196 -17.193  -8.464
  334   2HH2  ARG  43          1HH1      ARG  43 -42.159 -18.531  -7.367
  335    H    ASN  44           H        ASN  44 -37.656 -10.331  -3.452
  336    HA   ASN  44           HA       ASN  44 -38.920  -7.764  -4.071
  337   1HB   ASN  44          2HB       ASN  44 -37.197  -8.242  -1.663
  338   2HB   ASN  44          1HB       ASN  44 -38.566  -7.151  -1.852
  339   1HD2  ASN  44          2HD2      ASN  44 -40.969  -9.837  -1.541
  340   2HD2  ASN  44          1HD2      ASN  44 -40.616  -8.505  -2.583
  341    H    LEU  45           H        LEU  45 -37.638  -5.779  -3.969
  342    HA   LEU  45           HA       LEU  45 -35.094  -6.132  -5.334
  343   1HB   LEU  45          2HB       LEU  45 -37.038  -3.918  -4.970
  344   2HB   LEU  45          1HB       LEU  45 -35.359  -3.445  -5.163
  345    HG   LEU  45           HG       LEU  45 -36.486  -5.370  -7.140
  346   1HD1  LEU  45          1HD1      LEU  45 -37.300  -2.509  -6.873
  347   2HD1  LEU  45          3HD1      LEU  45 -37.126  -3.230  -8.474
  348   3HD1  LEU  45          2HD1      LEU  45 -38.268  -3.917  -7.317
  349   1HD2  LEU  45          3HD2      LEU  45 -34.130  -4.722  -7.208
  350   2HD2  LEU  45          2HD2      LEU  45 -34.993  -4.169  -8.644
  351   3HD2  LEU  45          1HD2      LEU  45 -34.598  -3.029  -7.357
  352    H    GLN  46           H        GLN  46 -33.126  -5.769  -4.446
  353    HA   GLN  46           HA       GLN  46 -32.938  -4.323  -1.924
  354   1HB   GLN  46          2HB       GLN  46 -32.511  -7.245  -2.223
  355   2HB   GLN  46          1HB       GLN  46 -31.340  -6.378  -1.237
  356   1HG   GLN  46          2HG       GLN  46 -33.001  -5.651   0.272
  357   2HG   GLN  46          1HG       GLN  46 -34.303  -6.147  -0.808
  358   1HE2  GLN  46          2HE2      GLN  46 -33.122  -8.615   2.003
  359   2HE2  GLN  46          1HE2      GLN  46 -32.884  -6.903   1.971
  360    H    CYS  47           H        CYS  47 -30.780  -3.764  -1.323
  361    HA   CYS  47           HA       CYS  47 -29.210  -2.955  -3.546
  362   1HB   CYS  47          2HB       CYS  47 -29.279  -2.484  -0.671
  363   2HB   CYS  47          1HB       CYS  47 -27.635  -2.553  -1.295
  364    H    ILE  48           H        ILE  48 -26.978  -3.411  -3.882
  365    HA   ILE  48           HA       ILE  48 -25.961  -5.945  -2.845
  366    HB   ILE  48           HB       ILE  48 -26.599  -5.366  -5.717
  367   1HG1  ILE  48          2HG1      ILE  48 -27.805  -6.972  -3.900
  368   2HG1  ILE  48          1HG1      ILE  48 -27.834  -7.275  -5.632
  369   1HG2  ILE  48          3HG2      ILE  48 -24.317  -7.049  -4.731
  370   2HG2  ILE  48          2HG2      ILE  48 -25.079  -7.321  -6.297
  371   3HG2  ILE  48          1HG2      ILE  48 -24.301  -5.775  -5.951
  372   1HD1  ILE  48          2HD1      ILE  48 -25.841  -8.472  -3.722
  373   2HD1  ILE  48          1HD1      ILE  48 -27.308  -9.270  -4.286
  374   3HD1  ILE  48          3HD1      ILE  48 -26.036  -8.853  -5.433
  375    H    CYS  49           H        CYS  49 -24.070  -5.370  -2.007
  376    HA   CYS  49           HA       CYS  49 -22.526  -3.207  -3.203
  377   1HB   CYS  49          2HB       CYS  49 -22.104  -4.774  -0.653
  378   2HB   CYS  49          1HB       CYS  49 -21.099  -3.431  -1.186
  379    H    ASP  50           H        ASP  50 -21.023  -3.607  -4.654
  380    HA   ASP  50           HA       ASP  50 -19.928  -6.298  -4.930
  381   1HB   ASP  50          2HB       ASP  50 -20.804  -4.650  -6.834
  382   2HB   ASP  50          1HB       ASP  50 -19.142  -4.073  -6.761
  383    H    TYR  51           H        TYR  51 -17.616  -6.599  -5.236
  384    HA   TYR  51           HA       TYR  51 -15.973  -4.582  -3.844
  385   1HB   TYR  51          2HB       TYR  51 -16.124  -7.553  -3.385
  386   2HB   TYR  51          1HB       TYR  51 -14.714  -6.612  -2.905
  387    HD1  TYR  51           HD1      TYR  51 -18.402  -6.829  -2.443
  388    HD2  TYR  51           HD2      TYR  51 -14.685  -5.526  -0.833
  389    HE1  TYR  51           HE1      TYR  51 -19.523  -6.265  -0.329
  390    HE2  TYR  51           HE2      TYR  51 -15.796  -4.958   1.285
  391    HH   TYR  51           HH       TYR  51 -17.719  -5.304   2.510
  392    H    CYS  52           H        CYS  52 -16.124  -7.249  -6.140
  393    HA   CYS  52           HA       CYS  52 -13.412  -6.665  -7.071
  394   1HB   CYS  52          2HB       CYS  52 -15.273  -8.876  -7.955
  395   2HB   CYS  52          1HB       CYS  52 -13.548  -8.748  -8.283
  396    H    GLU  53           H        GLU  53 -15.263  -8.070  -9.470
  397    HA   GLU  53           HA       GLU  53 -15.869  -5.495 -10.760
  398   1HB   GLU  53          2HB       GLU  53 -14.485  -7.873 -12.019
  399   2HB   GLU  53          1HB       GLU  53 -15.094  -6.488 -12.916
  400   1HG   GLU  53          2HG       GLU  53 -12.913  -6.476 -10.844
  401   2HG   GLU  53          1HG       GLU  53 -12.727  -6.262 -12.584
  402    H    TYR  54           HN       TYR  54 -16.241  -7.947 -12.929
  403    HA   TYR  54           HA       TYR  54 -18.159  -8.688 -13.959
  404   1HB   TYR  54          2HB       TYR  54 -19.071  -9.777 -11.341
  405   2HB   TYR  54          1HB       TYR  54 -18.901 -10.581 -12.897
  406    HD1  TYR  54           HD1      TYR  54 -16.374 -10.780 -13.728
  407    HD2  TYR  54           HD2      TYR  54 -17.582 -10.348  -9.671
  408    HE1  TYR  54           HE1      TYR  54 -14.242 -11.761 -12.996
  409    HE2  TYR  54           HE2      TYR  54 -15.452 -11.327  -8.928
  410    HH   TYR  54           HH       TYR  54 -13.666 -12.672  -9.712
   
  No H/Q in entry =         410
  Start of MODEL   16
    1    HN   PCA   1           HN       PCA   1 -17.186 -15.023  -9.376
    2    HA   PCA   1           HA       PCA   1 -15.062 -14.026  -8.420
    3   1HB   PCA   1          1HB       PCA   1 -15.180 -11.797  -8.050
    4   2HB   PCA   1          2HB       PCA   1 -16.250 -12.099  -6.660
    5   1HG   PCA   1          1HG       PCA   1 -16.966 -11.038  -9.235
    6   2HG   PCA   1          2HG       PCA   1 -18.055 -11.441  -7.894
    7    H    ASP   2           H        ASP   2 -17.693 -13.351  -6.142
    8    HA   ASP   2           HA       ASP   2 -18.429 -14.472  -4.288
    9   1HB   ASP   2          2HB       ASP   2 -18.004 -16.526  -5.865
   10   2HB   ASP   2          1HB       ASP   2 -16.597 -16.782  -4.837
   11    H    LYS   3           H        LYS   3 -15.402 -13.426  -4.928
   12    HA   LYS   3           HA       LYS   3 -14.393 -13.979  -2.211
   13   1HB   LYS   3          2HB       LYS   3 -12.920 -13.221  -4.738
   14   2HB   LYS   3          1HB       LYS   3 -12.166 -13.320  -3.154
   15   1HG   LYS   3          2HG       LYS   3 -13.572 -15.633  -4.466
   16   2HG   LYS   3          1HG       LYS   3 -11.849 -15.310  -4.645
   17   1HD   LYS   3          2HD       LYS   3 -11.576 -16.586  -2.810
   18   2HD   LYS   3          1HD       LYS   3 -12.205 -15.211  -1.904
   19   1HE   LYS   3          2HE       LYS   3 -13.552 -16.931  -1.167
   20   2HE   LYS   3          1HE       LYS   3 -14.524 -16.242  -2.464
   21   1HZ   LYS   3          1HZ       LYS   3 -12.704 -18.536  -2.892
   22   2HZ   LYS   3          3HZ       LYS   3 -14.323 -18.731  -2.439
   23   3HZ   LYS   3          2HZ       LYS   3 -13.938 -17.983  -3.906
   24    H    CYS   4           H        CYS   4 -15.896 -11.632  -4.009
   25    HA   CYS   4           HA       CYS   4 -15.277  -9.596  -2.058
   26   1HB   CYS   4          2HB       CYS   4 -14.275  -9.460  -4.873
   27   2HB   CYS   4          1HB       CYS   4 -14.767  -7.971  -4.073
   28    H    LYS   5           H        LYS   5 -17.657 -10.774  -2.399
   29    HA   LYS   5           HA       LYS   5 -19.289  -8.586  -3.431
   30   1HB   LYS   5          2HB       LYS   5 -20.689  -9.950  -4.777
   31   2HB   LYS   5          1HB       LYS   5 -19.034 -10.299  -5.252
   32   1HG   LYS   5          2HG       LYS   5 -19.759 -12.435  -5.120
   33   2HG   LYS   5          1HG       LYS   5 -19.364 -12.223  -3.415
   34   1HD   LYS   5          2HD       LYS   5 -21.655 -11.780  -2.872
   35   2HD   LYS   5          1HD       LYS   5 -22.101 -11.711  -4.577
   36   1HE   LYS   5          2HE       LYS   5 -21.355 -14.108  -4.754
   37   2HE   LYS   5          1HE       LYS   5 -21.225 -14.118  -2.995
   38   1HZ   LYS   5          3HZ       LYS   5 -23.719 -13.389  -4.423
   39   2HZ   LYS   5          2HZ       LYS   5 -23.372 -14.969  -3.930
   40   3HZ   LYS   5          1HZ       LYS   5 -23.531 -13.741  -2.779
   41    H    LYS   6           H        LYS   6 -21.106  -8.226  -2.292
   42    HA   LYS   6           HA       LYS   6 -22.112 -10.232  -0.438
   43   1HB   LYS   6          2HB       LYS   6 -21.244  -7.489   0.504
   44   2HB   LYS   6          1HB       LYS   6 -22.036  -8.713   1.485
   45   1HG   LYS   6          2HG       LYS   6 -20.096 -10.184   1.205
   46   2HG   LYS   6          1HG       LYS   6 -19.303  -8.941   0.237
   47   1HD   LYS   6          2HD       LYS   6 -18.424  -8.769   2.440
   48   2HD   LYS   6          1HD       LYS   6 -19.513  -7.402   2.211
   49   1HE   LYS   6          2HE       LYS   6 -20.837  -9.768   3.322
   50   2HE   LYS   6          1HE       LYS   6 -19.551  -9.137   4.349
   51   1HZ   LYS   6          3HZ       LYS   6 -20.712  -6.883   3.869
   52   2HZ   LYS   6          2HZ       LYS   6 -22.053  -7.847   3.505
   53   3HZ   LYS   6          1HZ       LYS   6 -21.349  -7.925   5.040
   54    H    VAL   7           H        VAL   7 -23.697  -8.287   1.020
   55    HA   VAL   7           HA       VAL   7 -25.200  -6.695  -0.785
   56    HB   VAL   7           HB       VAL   7 -26.683  -8.157  -1.633
   57   1HG1  VAL   7          3HG1      VAL   7 -25.170 -10.138   0.014
   58   2HG1  VAL   7          2HG1      VAL   7 -26.603 -10.622  -0.887
   59   3HG1  VAL   7          1HG1      VAL   7 -25.223  -9.939  -1.737
   60   1HG2  VAL   7          1HG2      VAL   7 -28.115  -7.605   0.255
   61   2HG2  VAL   7          3HG2      VAL   7 -28.347  -9.282  -0.234
   62   3HG2  VAL   7          2HG2      VAL   7 -27.396  -8.907   1.202
   63    H    TYR   8           H        TYR   8 -27.060  -5.672   0.272
   64    HA   TYR   8           HA       TYR   8 -26.507  -5.268   3.089
   65   1HB   TYR   8          2HB       TYR   8 -27.218  -3.544   1.143
   66   2HB   TYR   8          1HB       TYR   8 -28.806  -3.887   1.820
   67    HD1  TYR   8           HD1      TYR   8 -28.142  -4.205   4.684
   68    HD2  TYR   8           HD2      TYR   8 -26.759  -1.364   1.838
   69    HE1  TYR   8           HE1      TYR   8 -27.745  -2.591   6.496
   70    HE2  TYR   8           HE2      TYR   8 -26.357   0.258   3.641
   71    HH   TYR   8           HH       TYR   8 -27.468  -0.276   6.874
   72    H    GLU   9           H        GLU   9 -27.405  -6.522   4.576
   73    HA   GLU   9           HA       GLU   9 -29.591  -8.239   4.102
   74   1HB   GLU   9          2HB       GLU   9 -28.619  -7.326   6.807
   75   2HB   GLU   9          1HB       GLU   9 -29.455  -8.822   6.420
   76   1HG   GLU   9          2HG       GLU   9 -27.569  -9.737   5.377
   77   2HG   GLU   9          1HG       GLU   9 -26.763  -8.171   5.272
   78    H    ASN  10           H        ASN  10 -29.733  -5.027   4.197
   79    HA   ASN  10           HA       ASN  10 -32.494  -4.814   4.495
   80   1HB   ASN  10          2HB       ASN  10 -32.675  -3.617   6.640
   81   2HB   ASN  10          1HB       ASN  10 -32.107  -5.263   6.884
   82   1HD2  ASN  10          2HD2      ASN  10 -29.011  -4.358   8.187
   83   2HD2  ASN  10          1HD2      ASN  10 -30.017  -5.622   7.577
   84    H    TYR  11           H        TYR  11 -33.148  -2.884   3.699
   85    HA   TYR  11           HA       TYR  11 -31.795  -0.430   3.921
   86   1HB   TYR  11          2HB       TYR  11 -30.080  -1.462   2.554
   87   2HB   TYR  11          1HB       TYR  11 -31.275  -2.010   1.396
   88    HD1  TYR  11           HD2      TYR  11 -31.727   1.394   2.608
   89    HD2  TYR  11           HD1      TYR  11 -29.784  -1.012  -0.289
   90    HE1  TYR  11           HE2      TYR  11 -31.272   3.395   1.258
   91    HE2  TYR  11           HE1      TYR  11 -29.318   0.967  -1.642
   92    HH   TYR  11           HH       TYR  11 -30.043   3.186  -1.973
   93    HA   PRO  12           HA       PRO  12 -36.255  -0.011   2.829
   94   1HB   PRO  12          2HB       PRO  12 -35.327   2.824   3.075
   95   2HB   PRO  12          1HB       PRO  12 -36.812   2.070   3.669
   96   1HG   PRO  12          2HG       PRO  12 -34.784   2.565   5.322
   97   2HG   PRO  12          1HG       PRO  12 -35.753   1.089   5.478
   98   1HD   PRO  12          2HD       PRO  12 -32.991   1.439   4.462
   99   2HD   PRO  12          1HD       PRO  12 -33.734   0.038   5.251
  100    H    VAL  13           H        VAL  13 -35.094  -0.793   0.710
  101    HA   VAL  13           HA       VAL  13 -34.242  -0.201  -1.453
  102    HB   VAL  13           HB       VAL  13 -37.193   0.218  -1.747
  103   1HG1  VAL  13          1HG1      VAL  13 -35.086  -1.248  -3.319
  104   2HG1  VAL  13          3HG1      VAL  13 -36.813  -1.359  -3.654
  105   3HG1  VAL  13          2HG1      VAL  13 -35.986   0.191  -3.795
  106   1HG2  VAL  13          2HG2      VAL  13 -35.787  -2.209  -0.708
  107   2HG2  VAL  13          1HG2      VAL  13 -37.304  -1.481  -0.179
  108   3HG2  VAL  13          3HG2      VAL  13 -37.239  -2.383  -1.694
  109    H    SER  14           H        SER  14 -33.636   2.144  -0.322
  110    HA   SER  14           HA       SER  14 -35.142   4.351  -1.263
  111   1HB   SER  14          2HB       SER  14 -33.579   5.682  -0.231
  112   2HB   SER  14          1HB       SER  14 -33.303   4.166   0.622
  113    HG   SER  14           HG       SER  14 -31.786   5.328  -1.456
  114    H    LYS  15           H        LYS  15 -35.038   5.523  -3.050
  115    HA   LYS  15           HA       LYS  15 -34.844   5.642  -5.365
  116   1HB   LYS  15          2HB       LYS  15 -33.155   7.152  -3.899
  117   2HB   LYS  15          1HB       LYS  15 -32.000   6.333  -4.940
  118   1HG   LYS  15          2HG       LYS  15 -32.455   8.159  -6.223
  119   2HG   LYS  15          1HG       LYS  15 -33.700   7.057  -6.819
  120   1HD   LYS  15          2HD       LYS  15 -35.331   8.061  -5.317
  121   2HD   LYS  15          1HD       LYS  15 -34.093   9.142  -4.674
  122   1HE   LYS  15          2HE       LYS  15 -34.575   9.120  -7.611
  123   2HE   LYS  15          1HE       LYS  15 -35.756   9.919  -6.574
  124   1HZ   LYS  15          3HZ       LYS  15 -33.763  11.119  -5.590
  125   2HZ   LYS  15          2HZ       LYS  15 -32.895  10.572  -6.937
  126   3HZ   LYS  15          1HZ       LYS  15 -34.242  11.575  -7.149
  127    H    CYS  16           H        CYS  16 -34.256   2.841  -4.629
  128    HA   CYS  16           HA       CYS  16 -31.902   2.056  -6.056
  129   1HB   CYS  16          2HB       CYS  16 -33.861   0.767  -4.419
  130   2HB   CYS  16          1HB       CYS  16 -33.753  -0.130  -5.927
  131    H    GLN  17           H        GLN  17 -32.167   3.199  -8.031
  132    HA   GLN  17           HA       GLN  17 -33.452   1.634 -10.069
  133   1HB   GLN  17          2HB       GLN  17 -34.537   4.320  -9.270
  134   2HB   GLN  17          1HB       GLN  17 -34.678   3.757 -10.929
  135   1HG   GLN  17          2HG       GLN  17 -35.750   1.661  -9.921
  136   2HG   GLN  17          1HG       GLN  17 -35.913   2.620  -8.451
  137   1HE2  GLN  17          2HE2      GLN  17 -38.167   3.487 -11.747
  138   2HE2  GLN  17          1HE2      GLN  17 -36.722   2.551 -11.884
  139    H    LEU  18           H        LEU  18 -31.890   4.689  -9.216
  140    HA   LEU  18           HA       LEU  18 -30.883   5.191 -11.844
  141   1HB   LEU  18          2HB       LEU  18 -30.246   6.338  -9.138
  142   2HB   LEU  18          1HB       LEU  18 -29.397   6.844 -10.586
  143    HG   LEU  18           HG       LEU  18 -31.709   7.403 -11.545
  144   1HD1  LEU  18          2HD1      LEU  18 -32.368   7.011  -8.643
  145   2HD1  LEU  18          1HD1      LEU  18 -33.337   8.023  -9.712
  146   3HD1  LEU  18          3HD1      LEU  18 -33.158   6.302 -10.049
  147   1HD2  LEU  18          2HD2      LEU  18 -30.055   9.079 -10.841
  148   2HD2  LEU  18          1HD2      LEU  18 -31.708   9.593 -10.501
  149   3HD2  LEU  18          3HD2      LEU  18 -30.685   8.995  -9.195
  150    H    ALA  19           H        ALA  19 -28.519   5.504  -9.425
  151    HA   ALA  19           HA       ALA  19 -27.146   3.061  -9.570
  152   1HB   ALA  19          3HB       ALA  19 -26.969   4.008 -11.995
  153   2HB   ALA  19          2HB       ALA  19 -25.761   5.078 -11.286
  154   3HB   ALA  19          1HB       ALA  19 -25.541   3.328 -11.215
  155    H    ASN  20           H        ASN  20 -27.838   5.478  -7.931
  156    HA   ASN  20           HA       ASN  20 -25.136   6.111  -6.946
  157   1HB   ASN  20          2HB       ASN  20 -26.202   8.116  -7.704
  158   2HB   ASN  20          1HB       ASN  20 -27.697   7.710  -6.865
  159   1HD2  ASN  20          2HD2      ASN  20 -24.492   9.119  -4.745
  160   2HD2  ASN  20          1HD2      ASN  20 -24.261   8.291  -6.244
  161    H    GLN  21           H        GLN  21 -27.609   7.167  -4.931
  162    HA   GLN  21           HA       GLN  21 -27.372   6.483  -2.576
  163   1HB   GLN  21          2HB       GLN  21 -29.678   5.227  -4.068
  164   2HB   GLN  21          1HB       GLN  21 -29.574   5.284  -2.314
  165   1HG   GLN  21          2HG       GLN  21 -29.771   7.608  -4.209
  166   2HG   GLN  21          1HG       GLN  21 -30.973   7.064  -3.040
  167   1HE2  GLN  21          2HE2      GLN  21 -27.774   9.296  -1.862
  168   2HE2  GLN  21          1HE2      GLN  21 -27.800   8.518  -3.403
  169    H    CYS  22           H        CYS  22 -28.389   3.618  -4.431
  170    HA   CYS  22           HA       CYS  22 -27.449   1.750  -2.559
  171   1HB   CYS  22          2HB       CYS  22 -29.133   1.240  -4.303
  172   2HB   CYS  22          1HB       CYS  22 -27.875   1.358  -5.528
  173    H    ASN  23           H        ASN  23 -26.091   2.287  -5.814
  174    HA   ASN  23           HA       ASN  23 -23.721   0.956  -5.454
  175   1HB   ASN  23          2HB       ASN  23 -24.799   2.702  -7.387
  176   2HB   ASN  23          1HB       ASN  23 -23.249   3.412  -6.948
  177   1HD2  ASN  23          2HD2      ASN  23 -21.326   0.727  -8.232
  178   2HD2  ASN  23          1HD2      ASN  23 -21.376   1.938  -7.001
  179    H    TYR  24           H        TYR  24 -24.464   4.334  -4.679
  180    HA   TYR  24           HA       TYR  24 -21.970   5.085  -3.659
  181   1HB   TYR  24          2HB       TYR  24 -23.414   6.879  -3.979
  182   2HB   TYR  24          1HB       TYR  24 -24.780   6.040  -3.253
  183    HD1  TYR  24           HD1      TYR  24 -21.429   7.397  -2.309
  184    HD2  TYR  24           HD2      TYR  24 -25.453   6.670  -1.132
  185    HE1  TYR  24           HE1      TYR  24 -21.016   8.575  -0.193
  186    HE2  TYR  24           HE2      TYR  24 -25.050   7.849   0.990
  187    HH   TYR  24           HH       TYR  24 -21.857   8.841   1.961
  188    H    ASP  25           H        ASP  25 -24.831   3.762  -2.015
  189    HA   ASP  25           HA       ASP  25 -23.889   3.738   0.584
  190   1HB   ASP  25          2HB       ASP  25 -25.889   2.128  -0.931
  191   2HB   ASP  25          1HB       ASP  25 -25.396   1.519   0.642
  192    H    CYS  26           H        CYS  26 -23.689   1.024  -1.756
  193    HA   CYS  26           HA       CYS  26 -22.079  -0.586  -0.123
  194   1HB   CYS  26          2HB       CYS  26 -22.231  -0.456  -3.144
  195   2HB   CYS  26          1HB       CYS  26 -21.392  -1.717  -2.246
  196    H    LYS  27           H        LYS  27 -21.261   1.861  -2.540
  197    HA   LYS  27           HA       LYS  27 -18.459   1.612  -2.407
  198   1HB   LYS  27          2HB       LYS  27 -19.943   2.931  -4.078
  199   2HB   LYS  27          1HB       LYS  27 -19.832   4.238  -2.907
  200   1HG   LYS  27          2HG       LYS  27 -17.489   4.398  -3.150
  201   2HG   LYS  27          1HG       LYS  27 -17.402   2.873  -4.028
  202   1HD   LYS  27          2HD       LYS  27 -17.309   4.248  -5.831
  203   2HD   LYS  27          1HD       LYS  27 -19.063   4.242  -5.658
  204   1HE   LYS  27          2HE       LYS  27 -17.233   6.289  -4.413
  205   2HE   LYS  27          1HE       LYS  27 -18.080   6.508  -5.943
  206   1HZ   LYS  27          2HZ       LYS  27 -20.050   5.764  -4.240
  207   2HZ   LYS  27          1HZ       LYS  27 -19.067   6.728  -3.257
  208   3HZ   LYS  27          3HZ       LYS  27 -19.700   7.355  -4.696
  209    H    LEU  28           H        LEU  28 -20.266   1.996   0.115
  210    HA   LEU  28           HA       LEU  28 -18.267   3.302   1.698
  211   1HB   LEU  28          2HB       LEU  28 -19.812   5.129   0.696
  212   2HB   LEU  28          1HB       LEU  28 -21.023   4.504   1.800
  213    HG   LEU  28           HG       LEU  28 -19.177   4.899   3.616
  214   1HD1  LEU  28          1HD1      LEU  28 -17.486   5.460   1.807
  215   2HD1  LEU  28          3HD1      LEU  28 -18.349   6.987   1.621
  216   3HD1  LEU  28          2HD1      LEU  28 -17.597   6.581   3.165
  217   1HD2  LEU  28          1HD2      LEU  28 -20.925   6.942   2.291
  218   2HD2  LEU  28          3HD2      LEU  28 -21.162   6.098   3.821
  219   3HD2  LEU  28          2HD2      LEU  28 -19.937   7.360   3.691
  220    H    ASP  29           H        ASP  29 -20.781   3.842   3.543
  221    HA   ASP  29           HA       ASP  29 -21.510   2.741   5.430
  222   1HB   ASP  29          2HB       ASP  29 -22.427   0.924   3.195
  223   2HB   ASP  29          1HB       ASP  29 -23.028   0.835   4.849
  224    H    LYS  30           H        LYS  30 -20.788  -0.146   3.471
  225    HA   LYS  30           HA       LYS  30 -19.395  -1.314   5.749
  226   1HB   LYS  30          2HB       LYS  30 -19.766  -2.669   3.097
  227   2HB   LYS  30          1HB       LYS  30 -19.646  -3.392   4.692
  228   1HG   LYS  30          2HG       LYS  30 -21.980  -1.689   3.851
  229   2HG   LYS  30          1HG       LYS  30 -21.917  -3.430   3.579
  230   1HD   LYS  30          2HD       LYS  30 -21.310  -3.383   6.196
  231   2HD   LYS  30          1HD       LYS  30 -22.272  -1.908   6.100
  232   1HE   LYS  30          2HE       LYS  30 -23.843  -3.551   6.594
  233   2HE   LYS  30          1HE       LYS  30 -23.987  -3.358   4.848
  234   1HZ   LYS  30          3HZ       LYS  30 -22.050  -5.335   5.605
  235   2HZ   LYS  30          2HZ       LYS  30 -23.607  -5.707   6.150
  236   3HZ   LYS  30          1HZ       LYS  30 -23.329  -5.444   4.502
  237    H    HIS  31           H        HIS  31 -18.639   0.497   3.048
  238    HA   HIS  31           HA       HIS  31 -16.615   1.243   2.292
  239   1HB   HIS  31          2HB       HIS  31 -15.154  -0.926   3.761
  240   2HB   HIS  31          1HB       HIS  31 -14.618   0.702   3.362
  241    HD1  HIS  31           HD1      HIS  31 -15.134  -1.004   6.242
  242    HD2  HIS  31           HD2      HIS  31 -16.866   2.492   4.813
  243    HE1  HIS  31           HE1      HIS  31 -15.992   0.200   8.274
  244    HE2  HIS  31           HE2      HIS  31 -16.959   2.352   7.394
  245    H    ALA  32           H        ALA  32 -18.114  -0.315   0.713
  246    HA   ALA  32           HA       ALA  32 -16.481  -2.475  -0.356
  247   1HB   ALA  32          3HB       ALA  32 -19.094  -2.388  -0.092
  248   2HB   ALA  32          2HB       ALA  32 -19.010  -1.582  -1.657
  249   3HB   ALA  32          1HB       ALA  32 -18.351  -3.207  -1.465
  250    H    ARG  33           H        ARG  33 -17.889  -1.704  -3.028
  251    HA   ARG  33           HA       ARG  33 -16.159   0.502  -3.864
  252   1HB   ARG  33          2HB       ARG  33 -16.007  -2.320  -4.828
  253   2HB   ARG  33          1HB       ARG  33 -15.779  -1.036  -6.009
  254   1HG   ARG  33          2HG       ARG  33 -14.040  -0.116  -4.340
  255   2HG   ARG  33          1HG       ARG  33 -14.100  -1.733  -3.636
  256   1HD   ARG  33          2HD       ARG  33 -13.587  -2.674  -5.864
  257   2HD   ARG  33          1HD       ARG  33 -13.430  -1.034  -6.490
  258    HE   ARG  33           HE       ARG  33 -11.739  -1.722  -4.230
  259   1HH1  ARG  33          1HH2      ARG  33 -12.056  -1.360  -7.678
  260   2HH1  ARG  33          2HH2      ARG  33 -10.349  -1.255  -7.955
  261   1HH2  ARG  33          2HH1      ARG  33  -9.487  -1.579  -4.583
  262   2HH2  ARG  33          1HH1      ARG  33  -8.889  -1.379  -6.196
  263    H    SER  34           H        SER  34 -18.536  -1.889  -5.047
  264    HA   SER  34           HA       SER  34 -20.264   0.252  -5.936
  265   1HB   SER  34          2HB       SER  34 -20.329  -0.987  -8.291
  266   2HB   SER  34          1HB       SER  34 -19.173   0.304  -7.958
  267    HG   SER  34           HG       SER  34 -17.601  -1.088  -8.063
  268    H    GLY  35           H        GLY  35 -22.360  -0.346  -5.827
  269   1HA   GLY  35          2HA       GLY  35 -22.878  -3.191  -5.260
  270   2HA   GLY  35          1HA       GLY  35 -23.863  -1.849  -4.706
  271    H    GLU  36           H        GLU  36 -25.689  -3.012  -5.504
  272    HA   GLU  36           HA       GLU  36 -26.437  -2.184  -8.123
  273   1HB   GLU  36          2HB       GLU  36 -24.870  -4.343  -8.295
  274   2HB   GLU  36          1HB       GLU  36 -26.401  -5.162  -8.006
  275   1HG   GLU  36          2HG       GLU  36 -25.810  -3.220 -10.235
  276   2HG   GLU  36          1HG       GLU  36 -25.939  -4.974 -10.379
  277    H    CYS  37           H        CYS  37 -28.575  -2.026  -8.248
  278    HA   CYS  37           HA       CYS  37 -30.226  -3.175  -6.134
  279   1HB   CYS  37          2HB       CYS  37 -30.840  -1.202  -8.342
  280   2HB   CYS  37          1HB       CYS  37 -32.014  -1.735  -7.142
  281    H    PHE  38           H        PHE  38 -31.356  -5.052  -6.468
  282    HA   PHE  38           HA       PHE  38 -32.356  -5.636  -9.156
  283   1HB   PHE  38          2HB       PHE  38 -31.395  -7.934  -9.115
  284   2HB   PHE  38          1HB       PHE  38 -30.164  -6.673  -9.204
  285    HD1  PHE  38           HD2      PHE  38 -28.999  -5.986  -7.091
  286    HD2  PHE  38           HD1      PHE  38 -31.392  -9.487  -7.361
  287    HE1  PHE  38           HE2      PHE  38 -27.969  -6.840  -5.055
  288    HE2  PHE  38           HE1      PHE  38 -30.345 -10.360  -5.313
  289    HZ   PHE  38           HZ       PHE  38 -28.624  -9.028  -4.162
  290    H    TYR  39           H        TYR  39 -34.172  -6.857  -9.209
  291    HA   TYR  39           HA       TYR  39 -35.646  -7.184  -6.791
  292   1HB   TYR  39          2HB       TYR  39 -36.195  -7.860  -9.660
  293   2HB   TYR  39          1HB       TYR  39 -37.316  -8.295  -8.372
  294    HD1  TYR  39           HD1      TYR  39 -38.218  -6.406  -6.884
  295    HD2  TYR  39           HD2      TYR  39 -36.215  -5.715 -10.584
  296    HE1  TYR  39           HE1      TYR  39 -39.217  -4.160  -7.009
  297    HE2  TYR  39           HE2      TYR  39 -37.209  -3.469 -10.708
  298    HH   TYR  39           HH       TYR  39 -38.231  -1.833  -9.398
  299    H    ASP  40           H        ASP  40 -36.006  -8.891  -5.580
  300    HA   ASP  40           HA       ASP  40 -35.337 -11.568  -6.506
  301   1HB   ASP  40          2HB       ASP  40 -34.001 -12.002  -4.434
  302   2HB   ASP  40          1HB       ASP  40 -33.232 -10.886  -5.556
  303    H    GLU  41           H        GLU  41 -35.496 -12.863  -4.144
  304    HA   GLU  41           HA       GLU  41 -37.323 -14.011  -3.323
  305   1HB   GLU  41          2HB       GLU  41 -36.076 -12.199  -1.669
  306   2HB   GLU  41          1HB       GLU  41 -37.777 -11.854  -1.394
  307   1HG   GLU  41          2HG       GLU  41 -38.174 -14.190  -0.836
  308   2HG   GLU  41          1HG       GLU  41 -36.475 -14.554  -1.133
  309    H    LYS  42           H        LYS  42 -38.317 -12.795  -5.514
  310    HA   LYS  42           HA       LYS  42 -40.294 -12.378  -6.508
  311   1HB   LYS  42          2HB       LYS  42 -41.542 -12.621  -3.799
  312   2HB   LYS  42          1HB       LYS  42 -42.355 -12.744  -5.349
  313   1HG   LYS  42          2HG       LYS  42 -41.755 -14.892  -5.645
  314   2HG   LYS  42          1HG       LYS  42 -40.125 -14.622  -5.028
  315   1HD   LYS  42          2HD       LYS  42 -41.644 -16.171  -3.696
  316   2HD   LYS  42          1HD       LYS  42 -40.795 -14.904  -2.812
  317   1HE   LYS  42          2HE       LYS  42 -42.705 -13.794  -2.301
  318   2HE   LYS  42          1HE       LYS  42 -43.458 -14.171  -3.851
  319   1HZ   LYS  42          2HZ       LYS  42 -43.762 -16.481  -2.972
  320   2HZ   LYS  42          1HZ       LYS  42 -43.266 -15.914  -1.457
  321   3HZ   LYS  42          3HZ       LYS  42 -44.668 -15.295  -2.176
  322    H    ARG  43           H        ARG  43 -39.535 -10.329  -6.933
  323    HA   ARG  43           HA       ARG  43 -39.731  -8.068  -7.134
  324   1HB   ARG  43          2HB       ARG  43 -42.186  -8.784  -7.098
  325   2HB   ARG  43          1HB       ARG  43 -42.198  -8.221  -5.432
  326   1HG   ARG  43          2HG       ARG  43 -41.290  -6.019  -6.366
  327   2HG   ARG  43          1HG       ARG  43 -41.792  -6.637  -7.941
  328   1HD   ARG  43          2HD       ARG  43 -43.502  -5.213  -6.904
  329   2HD   ARG  43          1HD       ARG  43 -44.065  -6.861  -7.167
  330    HE   ARG  43           HE       ARG  43 -44.079  -7.210  -4.859
  331   1HH1  ARG  43          1HH2      ARG  43 -42.902  -4.038  -5.676
  332   2HH1  ARG  43          2HH2      ARG  43 -43.038  -3.425  -4.062
  333   1HH2  ARG  43          2HH1      ARG  43 -44.268  -6.414  -2.724
  334   2HH2  ARG  43          1HH1      ARG  43 -43.815  -4.777  -2.384
  335    H    ASN  44           H        ASN  44 -37.905  -8.673  -5.262
  336    HA   ASN  44           HA       ASN  44 -38.587  -7.219  -2.836
  337   1HB   ASN  44          2HB       ASN  44 -36.401  -9.076  -3.601
  338   2HB   ASN  44          1HB       ASN  44 -36.104  -7.936  -2.292
  339   1HD2  ASN  44          2HD2      ASN  44 -39.313 -10.365  -1.647
  340   2HD2  ASN  44          1HD2      ASN  44 -39.166  -9.449  -3.105
  341    H    LEU  45           H        LEU  45 -35.880  -7.164  -5.052
  342    HA   LEU  45           HA       LEU  45 -34.682  -5.411  -5.945
  343   1HB   LEU  45          2HB       LEU  45 -37.010  -4.242  -5.807
  344   2HB   LEU  45          1HB       LEU  45 -36.318  -3.431  -4.419
  345    HG   LEU  45           HG       LEU  45 -34.581  -2.445  -5.777
  346   1HD1  LEU  45          1HD1      LEU  45 -35.567  -4.380  -7.796
  347   2HD1  LEU  45          3HD1      LEU  45 -35.000  -2.814  -8.379
  348   3HD1  LEU  45          2HD1      LEU  45 -33.925  -3.846  -7.438
  349   1HD2  LEU  45          2HD2      LEU  45 -37.427  -2.123  -6.571
  350   2HD2  LEU  45          1HD2      LEU  45 -36.315  -0.965  -5.842
  351   3HD2  LEU  45          3HD2      LEU  45 -36.201  -1.331  -7.562
  352    H    GLN  46           H        GLN  46 -33.292  -6.566  -4.304
  353    HA   GLN  46           HA       GLN  46 -32.662  -4.936  -1.972
  354   1HB   GLN  46          2HB       GLN  46 -32.386  -7.726  -2.676
  355   2HB   GLN  46          1HB       GLN  46 -30.838  -7.087  -2.137
  356   1HG   GLN  46          2HG       GLN  46 -31.983  -6.226  -0.101
  357   2HG   GLN  46          1HG       GLN  46 -33.443  -7.061  -0.632
  358   1HE2  GLN  46          2HE2      GLN  46 -30.243  -9.196   0.758
  359   2HE2  GLN  46          1HE2      GLN  46 -30.032  -7.601   0.129
  360    H    CYS  47           H        CYS  47 -30.031  -5.103  -1.618
  361    HA   CYS  47           HA       CYS  47 -28.849  -3.959  -4.061
  362   1HB   CYS  47          2HB       CYS  47 -29.080  -2.831  -1.347
  363   2HB   CYS  47          1HB       CYS  47 -27.536  -2.580  -2.150
  364    H    ILE  48           H        ILE  48 -27.084  -4.893  -4.717
  365    HA   ILE  48           HA       ILE  48 -25.604  -6.708  -2.992
  366    HB   ILE  48           HB       ILE  48 -25.790  -6.242  -5.924
  367   1HG1  ILE  48          2HG1      ILE  48 -26.491  -8.321  -4.210
  368   2HG1  ILE  48          1HG1      ILE  48 -26.444  -8.401  -5.962
  369   1HG2  ILE  48          2HG2      ILE  48 -23.240  -7.160  -4.627
  370   2HG2  ILE  48          1HG2      ILE  48 -23.645  -7.481  -6.314
  371   3HG2  ILE  48          3HG2      ILE  48 -23.474  -5.820  -5.751
  372   1HD1  ILE  48          3HD1      ILE  48 -24.112  -9.084  -4.207
  373   2HD1  ILE  48          2HD1      ILE  48 -25.295 -10.254  -4.789
  374   3HD1  ILE  48          1HD1      ILE  48 -24.288  -9.372  -5.936
  375    H    CYS  49           H        CYS  49 -23.283  -6.479  -2.728
  376    HA   CYS  49           HA       CYS  49 -22.239  -3.771  -3.200
  377   1HB   CYS  49          2HB       CYS  49 -22.176  -5.273  -0.582
  378   2HB   CYS  49          1HB       CYS  49 -21.171  -3.869  -0.924
  379    H    ASP  50           H        ASP  50 -20.611  -4.094  -4.556
  380    HA   ASP  50           HA       ASP  50 -18.910  -6.456  -4.264
  381   1HB   ASP  50          2HB       ASP  50 -18.932  -4.341  -6.434
  382   2HB   ASP  50          1HB       ASP  50 -17.980  -5.823  -6.445
  383    H    TYR  51           H        TYR  51 -16.874  -6.407  -3.604
  384    HA   TYR  51           HA       TYR  51 -15.832  -3.856  -2.600
  385   1HB   TYR  51          2HB       TYR  51 -15.259  -6.736  -1.932
  386   2HB   TYR  51          1HB       TYR  51 -14.272  -5.412  -1.317
  387    HD1  TYR  51           HD2      TYR  51 -17.914  -6.240  -1.609
  388    HD2  TYR  51           HD1      TYR  51 -14.769  -4.738   0.834
  389    HE1  TYR  51           HE2      TYR  51 -19.502  -5.950   0.244
  390    HE2  TYR  51           HE1      TYR  51 -16.350  -4.445   2.695
  391    HH   TYR  51           HH       TYR  51 -18.788  -4.147   3.012
  392    H    CYS  52           H        CYS  52 -15.260  -6.361  -4.899
  393    HA   CYS  52           HA       CYS  52 -12.917  -4.918  -5.887
  394   1HB   CYS  52          2HB       CYS  52 -12.901  -7.926  -5.739
  395   2HB   CYS  52          1HB       CYS  52 -11.550  -6.839  -6.018
  396    H    GLU  53           H        GLU  53 -13.172  -7.884  -7.352
  397    HA   GLU  53           HA       GLU  53 -15.268  -8.090  -8.967
  398   1HB   GLU  53          2HB       GLU  53 -14.514  -6.817 -11.077
  399   2HB   GLU  53          1HB       GLU  53 -15.329  -5.912  -9.815
  400   1HG   GLU  53          2HG       GLU  53 -12.558  -5.811  -9.236
  401   2HG   GLU  53          1HG       GLU  53 -12.732  -5.490 -10.958
  402    H    TYR  54           HN       TYR  54 -12.739  -7.329 -11.084
  403    HA   TYR  54           HA       TYR  54 -12.159 -10.152 -11.478
  404   1HB   TYR  54          2HB       TYR  54 -11.361  -7.707 -13.068
  405   2HB   TYR  54          1HB       TYR  54 -10.992  -9.369 -13.522
  406    HD1  TYR  54           HD1      TYR  54 -12.927 -10.951 -13.940
  407    HD2  TYR  54           HD2      TYR  54 -13.428  -6.739 -13.639
  408    HE1  TYR  54           HE1      TYR  54 -15.096 -11.135 -15.072
  409    HE2  TYR  54           HE2      TYR  54 -15.601  -6.909 -14.775
  410    HH   TYR  54           HH       TYR  54 -16.790  -8.419 -16.264
   
  No H/Q in entry =         410
  Start of MODEL   17
    1    HN   PCA   1           HN       PCA   1 -18.884 -18.979  -8.201
    2    HA   PCA   1           HA       PCA   1 -17.492 -20.849  -7.214
    3   1HB   PCA   1          1HB       PCA   1 -15.399 -20.972  -8.069
    4   2HB   PCA   1          2HB       PCA   1 -14.955 -19.521  -7.141
    5   1HG   PCA   1          1HG       PCA   1 -15.380 -19.730  -9.972
    6   2HG   PCA   1          2HG       PCA   1 -15.070 -18.254  -9.038
    7    H    ASP   2           H        ASP   2 -17.333 -17.383  -6.864
    8    HA   ASP   2           HA       ASP   2 -17.754 -17.641  -4.000
    9   1HB   ASP   2          2HB       ASP   2 -15.964 -15.697  -3.789
   10   2HB   ASP   2          1HB       ASP   2 -15.480 -17.389  -3.746
   11    H    LYS   3           H        LYS   3 -18.633 -15.738  -3.035
   12    HA   LYS   3           HA       LYS   3 -19.916 -13.964  -5.001
   13   1HB   LYS   3          2HB       LYS   3 -20.999 -15.459  -2.940
   14   2HB   LYS   3          1HB       LYS   3 -20.938 -13.844  -2.252
   15   1HG   LYS   3          2HG       LYS   3 -23.016 -13.865  -3.224
   16   2HG   LYS   3          1HG       LYS   3 -22.040 -13.132  -4.496
   17   1HD   LYS   3          2HD       LYS   3 -21.936 -15.188  -5.705
   18   2HD   LYS   3          1HD       LYS   3 -22.658 -16.080  -4.363
   19   1HE   LYS   3          2HE       LYS   3 -24.183 -15.524  -6.315
   20   2HE   LYS   3          1HE       LYS   3 -24.767 -15.100  -4.706
   21   1HZ   LYS   3          2HZ       LYS   3 -23.322 -12.928  -5.721
   22   2HZ   LYS   3          1HZ       LYS   3 -24.410 -13.423  -6.918
   23   3HZ   LYS   3          3HZ       LYS   3 -24.975 -13.015  -5.376
   24    H    CYS   4           H        CYS   4 -18.968 -12.065  -5.246
   25    HA   CYS   4           HA       CYS   4 -17.498 -10.864  -3.016
   26   1HB   CYS   4          2HB       CYS   4 -17.426 -10.601  -5.976
   27   2HB   CYS   4          1HB       CYS   4 -17.019  -9.166  -5.040
   28    H    LYS   5           H        LYS   5 -20.554 -10.876  -4.119
   29    HA   LYS   5           HA       LYS   5 -21.058  -8.077  -3.337
   30   1HB   LYS   5          2HB       LYS   5 -23.031  -9.618  -4.967
   31   2HB   LYS   5          1HB       LYS   5 -22.731  -7.886  -4.920
   32   1HG   LYS   5          2HG       LYS   5 -21.941  -8.507  -7.001
   33   2HG   LYS   5          1HG       LYS   5 -20.483  -8.440  -6.013
   34   1HD   LYS   5          2HD       LYS   5 -20.048 -10.512  -6.778
   35   2HD   LYS   5          1HD       LYS   5 -21.325 -11.057  -5.690
   36   1HE   LYS   5          2HE       LYS   5 -22.952 -10.953  -7.451
   37   2HE   LYS   5          1HE       LYS   5 -21.792 -10.193  -8.540
   38   1HZ   LYS   5          3HZ       LYS   5 -20.437 -12.270  -8.301
   39   2HZ   LYS   5          2HZ       LYS   5 -21.765 -12.978  -7.527
   40   3HZ   LYS   5          1HZ       LYS   5 -21.899 -12.457  -9.130
   41    H    LYS   6           H        LYS   6 -22.237  -7.803  -1.526
   42    HA   LYS   6           HA       LYS   6 -23.962 -10.034  -0.644
   43   1HB   LYS   6          2HB       LYS   6 -22.598  -8.491   1.493
   44   2HB   LYS   6          1HB       LYS   6 -22.998 -10.202   1.415
   45   1HG   LYS   6          2HG       LYS   6 -20.736  -8.903  -0.087
   46   2HG   LYS   6          1HG       LYS   6 -20.572  -9.736   1.458
   47   1HD   LYS   6          2HD       LYS   6 -21.968 -11.339  -0.551
   48   2HD   LYS   6          1HD       LYS   6 -20.334 -10.897  -1.046
   49   1HE   LYS   6          2HE       LYS   6 -20.576 -13.074   0.209
   50   2HE   LYS   6          1HE       LYS   6 -19.380 -11.944   0.841
   51   1HZ   LYS   6          1HZ       LYS   6 -21.719 -11.319   2.136
   52   2HZ   LYS   6          3HZ       LYS   6 -21.693 -13.011   2.108
   53   3HZ   LYS   6          2HZ       LYS   6 -20.400 -12.155   2.785
   54    H    VAL   7           H        VAL   7 -25.881  -9.506   0.222
   55    HA   VAL   7           HA       VAL   7 -26.992  -6.969  -0.240
   56    HB   VAL   7           HB       VAL   7 -28.985  -7.841   0.471
   57   1HG1  VAL   7          2HG1      VAL   7 -27.710  -9.453  -1.077
   58   2HG1  VAL   7          1HG1      VAL   7 -27.577 -10.483   0.346
   59   3HG1  VAL   7          3HG1      VAL   7 -29.166 -10.038  -0.275
   60   1HG2  VAL   7          3HG2      VAL   7 -27.411  -9.123   2.668
   61   2HG2  VAL   7          2HG2      VAL   7 -28.808  -8.050   2.766
   62   3HG2  VAL   7          1HG2      VAL   7 -29.020  -9.728   2.271
   63    H    TYR   8           H        TYR   8 -27.582  -5.296   1.182
   64    HA   TYR   8           HA       TYR   8 -25.879  -5.115   3.540
   65   1HB   TYR   8          2HB       TYR   8 -25.768  -3.185   2.147
   66   2HB   TYR   8          1HB       TYR   8 -27.520  -3.087   2.023
   67    HD1  TYR   8           HD2      TYR   8 -25.892  -3.717   5.259
   68    HD2  TYR   8           HD1      TYR   8 -27.561  -0.761   2.691
   69    HE1  TYR   8           HE2      TYR   8 -25.943  -2.131   7.128
   70    HE2  TYR   8           HE1      TYR   8 -27.613   0.836   4.559
   71    HH   TYR   8           HH       TYR   8 -26.686  -0.137   7.832
   72    H    GLU   9           H        GLU   9 -27.913  -6.948   3.787
   73    HA   GLU   9           HA       GLU   9 -30.048  -7.318   4.739
   74   1HB   GLU   9          2HB       GLU   9 -29.536  -7.105   7.303
   75   2HB   GLU   9          1HB       GLU   9 -28.691  -8.285   6.312
   76   1HG   GLU   9          2HG       GLU   9 -26.825  -6.661   6.075
   77   2HG   GLU   9          1HG       GLU   9 -27.661  -5.609   7.218
   78    H    ASN  10           H        ASN  10 -31.206  -5.489   3.852
   79    HA   ASN  10           HA       ASN  10 -33.027  -4.151   4.480
   80   1HB   ASN  10          2HB       ASN  10 -31.353  -2.999   6.716
   81   2HB   ASN  10          1HB       ASN  10 -33.071  -2.782   6.435
   82   1HD2  ASN  10          2HD2      ASN  10 -33.524  -6.411   7.252
   83   2HD2  ASN  10          1HD2      ASN  10 -33.632  -5.503   5.784
   84    H    TYR  11           H        TYR  11 -33.476  -2.114   3.737
   85    HA   TYR  11           HA       TYR  11 -31.669  -0.004   3.447
   86   1HB   TYR  11          2HB       TYR  11 -30.605  -1.653   1.840
   87   2HB   TYR  11          1HB       TYR  11 -32.044  -1.478   0.840
   88    HD1  TYR  11           HD1      TYR  11 -29.391   0.573   2.474
   89    HD2  TYR  11           HD2      TYR  11 -32.090   0.182  -0.790
   90    HE1  TYR  11           HE1      TYR  11 -28.404   2.567   1.429
   91    HE2  TYR  11           HE2      TYR  11 -31.112   2.178  -1.844
   92    HH   TYR  11           HH       TYR  11 -29.445   3.672  -1.770
   93    HA   PRO  12           HA       PRO  12 -35.761   1.845   3.026
   94   1HB   PRO  12          2HB       PRO  12 -34.100   3.874   1.575
   95   2HB   PRO  12          1HB       PRO  12 -35.373   4.118   2.777
   96   1HG   PRO  12          2HG       PRO  12 -32.790   4.298   3.438
   97   2HG   PRO  12          1HG       PRO  12 -33.987   3.607   4.549
   98   1HD   PRO  12          2HD       PRO  12 -31.859   2.260   2.995
   99   2HD   PRO  12          1HD       PRO  12 -32.658   1.753   4.495
  100    H    VAL  13           H        VAL  13 -36.319   0.103   1.493
  101    HA   VAL  13           HA       VAL  13 -35.740   0.105  -1.225
  102    HB   VAL  13           HB       VAL  13 -38.475  -0.675  -0.300
  103   1HG1  VAL  13          3HG1      VAL  13 -37.675  -0.935  -2.671
  104   2HG1  VAL  13          2HG1      VAL  13 -36.523  -2.129  -2.070
  105   3HG1  VAL  13          1HG1      VAL  13 -38.257  -2.413  -1.903
  106   1HG2  VAL  13          2HG2      VAL  13 -35.884  -1.926   0.530
  107   2HG2  VAL  13          1HG2      VAL  13 -37.309  -1.563   1.505
  108   3HG2  VAL  13          3HG2      VAL  13 -37.343  -2.902   0.356
  109    H    SER  14           H        SER  14 -35.804   2.083  -2.207
  110    HA   SER  14           HA       SER  14 -38.258   2.989  -3.241
  111   1HB   SER  14          2HB       SER  14 -38.003   5.353  -2.108
  112   2HB   SER  14          1HB       SER  14 -38.878   4.061  -1.286
  113    HG   SER  14           HG       SER  14 -37.508   4.664   0.243
  114    H    LYS  15           H        LYS  15 -35.352   4.769  -2.164
  115    HA   LYS  15           HA       LYS  15 -35.023   6.095  -4.637
  116   1HB   LYS  15          2HB       LYS  15 -33.008   5.599  -2.432
  117   2HB   LYS  15          1HB       LYS  15 -32.791   6.726  -3.764
  118   1HG   LYS  15          2HG       LYS  15 -33.631   8.265  -2.366
  119   2HG   LYS  15          1HG       LYS  15 -35.194   7.534  -2.730
  120   1HD   LYS  15          2HD       LYS  15 -35.232   7.496  -0.436
  121   2HD   LYS  15          1HD       LYS  15 -34.530   5.911  -0.768
  122   1HE   LYS  15          2HE       LYS  15 -33.212   6.893   0.942
  123   2HE   LYS  15          1HE       LYS  15 -32.266   6.992  -0.542
  124   1HZ   LYS  15          1HZ       LYS  15 -33.147   9.312  -0.768
  125   2HZ   LYS  15          3HZ       LYS  15 -33.757   9.172   0.804
  126   3HZ   LYS  15          2HZ       LYS  15 -32.090   9.072   0.531
  127    H    CYS  16           H        CYS  16 -34.025   3.018  -3.450
  128    HA   CYS  16           HA       CYS  16 -31.927   2.497  -5.276
  129   1HB   CYS  16          2HB       CYS  16 -33.147   1.186  -3.090
  130   2HB   CYS  16          1HB       CYS  16 -33.262   0.079  -4.449
  131    H    GLN  17           H        GLN  17 -32.617   3.045  -7.316
  132    HA   GLN  17           HA       GLN  17 -34.106   1.008  -8.705
  133   1HB   GLN  17          2HB       GLN  17 -35.200   3.782  -8.344
  134   2HB   GLN  17          1HB       GLN  17 -35.602   2.835  -9.769
  135   1HG   GLN  17          2HG       GLN  17 -36.377   1.025  -8.186
  136   2HG   GLN  17          1HG       GLN  17 -36.235   2.223  -6.900
  137   1HE2  GLN  17          2HE2      GLN  17 -39.118   2.690  -9.775
  138   2HE2  GLN  17          1HE2      GLN  17 -37.651   1.853 -10.134
  139    H    LEU  18           H        LEU  18 -31.420   2.479  -8.692
  140    HA   LEU  18           HA       LEU  18 -31.070   2.479 -11.520
  141   1HB   LEU  18          2HB       LEU  18 -30.123   5.082 -10.830
  142   2HB   LEU  18          1HB       LEU  18 -31.326   4.648 -12.023
  143    HG   LEU  18           HG       LEU  18 -33.104   4.930 -10.435
  144   1HD1  LEU  18          3HD1      LEU  18 -31.016   4.551  -8.476
  145   2HD1  LEU  18          2HD1      LEU  18 -31.911   6.030  -8.141
  146   3HD1  LEU  18          1HD1      LEU  18 -32.765   4.497  -8.278
  147   1HD2  LEU  18          1HD2      LEU  18 -31.078   7.129 -10.577
  148   2HD2  LEU  18          3HD2      LEU  18 -32.611   6.962 -11.433
  149   3HD2  LEU  18          2HD2      LEU  18 -32.598   7.349  -9.712
  150    H    ALA  19           H        ALA  19 -29.389   4.478  -9.118
  151    HA   ALA  19           HA       ALA  19 -27.332   2.674  -8.454
  152   1HB   ALA  19          3HB       ALA  19 -26.709   4.530 -10.749
  153   2HB   ALA  19          2HB       ALA  19 -25.499   3.649  -9.818
  154   3HB   ALA  19          1HB       ALA  19 -26.689   2.768 -10.773
  155    H    ASN  20           H        ASN  20 -25.176   4.495  -8.343
  156    HA   ASN  20           HA       ASN  20 -24.315   6.082  -6.984
  157   1HB   ASN  20          2HB       ASN  20 -25.766   7.546  -8.446
  158   2HB   ASN  20          1HB       ASN  20 -26.996   7.461  -7.188
  159   1HD2  ASN  20          2HD2      ASN  20 -24.868   9.253  -4.833
  160   2HD2  ASN  20          1HD2      ASN  20 -25.738   7.763  -4.904
  161    H    GLN  21           H        GLN  21 -27.732   6.188  -5.952
  162    HA   GLN  21           HA       GLN  21 -27.420   6.478  -3.286
  163   1HB   GLN  21          2HB       GLN  21 -29.344   4.444  -4.422
  164   2HB   GLN  21          1HB       GLN  21 -29.528   5.384  -2.948
  165   1HG   GLN  21          2HG       GLN  21 -29.409   6.626  -5.681
  166   2HG   GLN  21          1HG       GLN  21 -30.911   6.124  -4.906
  167   1HE2  GLN  21          2HE2      GLN  21 -28.871   9.391  -3.546
  168   2HE2  GLN  21          1HE2      GLN  21 -28.081   8.191  -4.505
  169    H    CYS  22           H        CYS  22 -28.049   3.203  -4.491
  170    HA   CYS  22           HA       CYS  22 -26.923   1.896  -2.286
  171   1HB   CYS  22          2HB       CYS  22 -28.481   1.035  -4.212
  172   2HB   CYS  22          1HB       CYS  22 -26.962   0.626  -5.001
  173    H    ASN  23           H        ASN  23 -25.587   2.613  -5.481
  174    HA   ASN  23           HA       ASN  23 -23.140   1.342  -5.270
  175   1HB   ASN  23          2HB       ASN  23 -24.353   2.797  -7.185
  176   2HB   ASN  23          1HB       ASN  23 -23.169   3.983  -6.636
  177   1HD2  ASN  23          2HD2      ASN  23 -20.608   1.261  -7.342
  178   2HD2  ASN  23          1HD2      ASN  23 -21.313   1.798  -5.860
  179    H    TYR  24           H        TYR  24 -23.350   4.888  -5.053
  180    HA   TYR  24           HA       TYR  24 -20.943   5.316  -3.799
  181   1HB   TYR  24          2HB       TYR  24 -21.665   7.406  -4.205
  182   2HB   TYR  24          1HB       TYR  24 -23.330   6.857  -4.326
  183    HD1  TYR  24           HD2      TYR  24 -20.759   7.545  -1.723
  184    HD2  TYR  24           HD1      TYR  24 -24.856   7.725  -2.830
  185    HE1  TYR  24           HE2      TYR  24 -21.269   8.674   0.390
  186    HE2  TYR  24           HE1      TYR  24 -25.385   8.854  -0.715
  187    HH   TYR  24           HH       TYR  24 -24.477   9.135   1.506
  188    H    ASP  25           H        ASP  25 -24.080   4.639  -2.263
  189    HA   ASP  25           HA       ASP  25 -23.391   5.009   0.384
  190   1HB   ASP  25          2HB       ASP  25 -25.244   3.038  -0.928
  191   2HB   ASP  25          1HB       ASP  25 -25.019   3.048   0.818
  192    H    CYS  26           H        CYS  26 -23.219   1.877  -1.337
  193    HA   CYS  26           HA       CYS  26 -21.845   0.560   0.695
  194   1HB   CYS  26          2HB       CYS  26 -21.618   0.105  -2.293
  195   2HB   CYS  26          1HB       CYS  26 -21.090  -1.024  -1.051
  196    H    LYS  27           H        LYS  27 -20.708   2.555  -1.961
  197    HA   LYS  27           HA       LYS  27 -17.958   2.136  -1.698
  198   1HB   LYS  27          2HB       LYS  27 -19.279   3.376  -3.534
  199   2HB   LYS  27          1HB       LYS  27 -19.136   4.782  -2.490
  200   1HG   LYS  27          2HG       LYS  27 -17.110   5.192  -3.335
  201   2HG   LYS  27          1HG       LYS  27 -16.544   3.652  -2.691
  202   1HD   LYS  27          2HD       LYS  27 -16.061   3.542  -4.977
  203   2HD   LYS  27          1HD       LYS  27 -17.551   2.612  -4.808
  204   1HE   LYS  27          2HE       LYS  27 -18.798   4.709  -5.417
  205   2HE   LYS  27          1HE       LYS  27 -17.239   5.432  -5.814
  206   1HZ   LYS  27          3HZ       LYS  27 -17.422   2.943  -7.089
  207   2HZ   LYS  27          2HZ       LYS  27 -18.841   3.803  -7.418
  208   3HZ   LYS  27          1HZ       LYS  27 -17.336   4.480  -7.792
  209    H    LEU  28           H        LEU  28 -19.801   3.069   0.768
  210    HA   LEU  28           HA       LEU  28 -17.597   4.264   2.162
  211   1HB   LEU  28          2HB       LEU  28 -18.794   6.117   0.791
  212   2HB   LEU  28          1HB       LEU  28 -20.040   5.994   2.018
  213    HG   LEU  28           HG       LEU  28 -17.237   6.375   2.956
  214   1HD1  LEU  28          3HD1      LEU  28 -18.824   8.421   1.456
  215   2HD1  LEU  28          2HD1      LEU  28 -17.734   8.905   2.757
  216   3HD1  LEU  28          1HD1      LEU  28 -17.104   8.043   1.354
  217   1HD2  LEU  28          3HD2      LEU  28 -19.494   6.159   4.298
  218   2HD2  LEU  28          2HD2      LEU  28 -18.222   7.263   4.820
  219   3HD2  LEU  28          1HD2      LEU  28 -19.613   7.880   3.928
  220    H    ASP  29           H        ASP  29 -20.876   3.118   2.069
  221    HA   ASP  29           HA       ASP  29 -21.426   3.362   4.850
  222   1HB   ASP  29          2HB       ASP  29 -22.650   1.774   2.608
  223   2HB   ASP  29          1HB       ASP  29 -23.170   1.531   4.273
  224    H    LYS  30           H        LYS  30 -20.451   0.602   2.823
  225    HA   LYS  30           HA       LYS  30 -19.605  -0.820   5.264
  226   1HB   LYS  30          2HB       LYS  30 -20.106  -2.040   2.552
  227   2HB   LYS  30          1HB       LYS  30 -19.921  -2.875   4.088
  228   1HG   LYS  30          2HG       LYS  30 -22.153  -0.926   3.733
  229   2HG   LYS  30          1HG       LYS  30 -22.281  -2.547   3.046
  230   1HD   LYS  30          2HD       LYS  30 -21.432  -2.237   5.888
  231   2HD   LYS  30          1HD       LYS  30 -23.138  -2.050   5.474
  232   1HE   LYS  30          2HE       LYS  30 -21.407  -4.445   4.867
  233   2HE   LYS  30          1HE       LYS  30 -22.644  -4.348   6.121
  234   1HZ   LYS  30          2HZ       LYS  30 -23.613  -3.646   3.510
  235   2HZ   LYS  30          1HZ       LYS  30 -23.032  -5.232   3.590
  236   3HZ   LYS  30          3HZ       LYS  30 -24.253  -4.726   4.645
  237    H    HIS  31           H        HIS  31 -18.363   1.036   2.892
  238    HA   HIS  31           HA       HIS  31 -16.253   1.423   2.136
  239   1HB   HIS  31          2HB       HIS  31 -15.050  -0.779   3.746
  240   2HB   HIS  31          1HB       HIS  31 -14.487   0.870   3.494
  241    HD1  HIS  31           HD1      HIS  31 -14.739  -0.592   6.297
  242    HD2  HIS  31           HD2      HIS  31 -17.422   2.156   4.710
  243    HE1  HIS  31           HE1      HIS  31 -15.952   0.383   8.273
  244    HE2  HIS  31           HE2      HIS  31 -17.532   2.083   7.293
  245    H    ALA  32           H        ALA  32 -17.913  -0.256   0.675
  246    HA   ALA  32           HA       ALA  32 -16.384  -2.571  -0.161
  247   1HB   ALA  32          1HB       ALA  32 -18.983  -2.281  -0.019
  248   2HB   ALA  32          3HB       ALA  32 -18.789  -1.608  -1.638
  249   3HB   ALA  32          2HB       ALA  32 -18.258  -3.254  -1.298
  250    H    ARG  33           H        ARG  33 -16.502  -2.823  -2.745
  251    HA   ARG  33           HA       ARG  33 -14.872  -0.617  -3.764
  252   1HB   ARG  33          2HB       ARG  33 -15.023  -3.515  -4.248
  253   2HB   ARG  33          1HB       ARG  33 -14.824  -2.567  -5.713
  254   1HG   ARG  33          2HG       ARG  33 -12.671  -3.219  -4.899
  255   2HG   ARG  33          1HG       ARG  33 -12.857  -1.476  -4.690
  256   1HD   ARG  33          2HD       ARG  33 -13.012  -1.628  -2.403
  257   2HD   ARG  33          1HD       ARG  33 -13.610  -3.286  -2.447
  258    HE   ARG  33           HE       ARG  33 -10.849  -2.823  -3.265
  259   1HH1  ARG  33          1HH2      ARG  33 -13.101  -3.932  -0.855
  260   2HH1  ARG  33          2HH2      ARG  33 -11.911  -4.818   0.040
  261   1HH2  ARG  33          2HH1      ARG  33  -9.269  -3.983  -2.095
  262   2HH2  ARG  33          1HH1      ARG  33  -9.732  -4.847  -0.666
  263    H    SER  34           H        SER  34 -18.020  -1.726  -3.848
  264    HA   SER  34           HA       SER  34 -19.010   0.250  -5.496
  265   1HB   SER  34          2HB       SER  34 -19.633  -1.724  -7.362
  266   2HB   SER  34          1HB       SER  34 -18.435  -0.448  -7.573
  267    HG   SER  34           HG       SER  34 -16.856  -1.837  -7.207
  268    H    GLY  35           H        GLY  35 -21.246  -0.861  -6.618
  269   1HA   GLY  35          2HA       GLY  35 -22.534  -2.875  -5.192
  270   2HA   GLY  35          1HA       GLY  35 -22.831  -1.375  -4.328
  271    H    GLU  36           H        GLU  36 -24.944  -2.695  -5.244
  272    HA   GLU  36           HA       GLU  36 -26.299  -0.824  -6.791
  273   1HB   GLU  36          2HB       GLU  36 -24.727  -2.611  -8.348
  274   2HB   GLU  36          1HB       GLU  36 -26.391  -3.119  -8.563
  275   1HG   GLU  36          2HG       GLU  36 -26.727  -1.482 -10.038
  276   2HG   GLU  36          1HG       GLU  36 -26.273  -0.267  -8.855
  277    H    CYS  37           H        CYS  37 -28.534  -1.378  -7.058
  278    HA   CYS  37           HA       CYS  37 -29.367  -3.363  -5.114
  279   1HB   CYS  37          2HB       CYS  37 -30.460  -0.904  -6.193
  280   2HB   CYS  37          1HB       CYS  37 -31.662  -2.190  -6.216
  281    H    PHE  38           H        PHE  38 -30.441  -5.230  -5.549
  282    HA   PHE  38           HA       PHE  38 -31.348  -5.763  -8.271
  283   1HB   PHE  38          2HB       PHE  38 -29.276  -7.444  -6.848
  284   2HB   PHE  38          1HB       PHE  38 -30.130  -7.949  -8.302
  285    HD1  PHE  38           HD1      PHE  38 -30.044  -6.046 -10.223
  286    HD2  PHE  38           HD2      PHE  38 -27.158  -6.638  -7.151
  287    HE1  PHE  38           HE1      PHE  38 -28.343  -4.938 -11.613
  288    HE2  PHE  38           HE2      PHE  38 -25.452  -5.530  -8.533
  289    HZ   PHE  38           HZ       PHE  38 -26.044  -4.676 -10.766
  290    H    TYR  39           H        TYR  39 -32.628  -7.738  -8.439
  291    HA   TYR  39           HA       TYR  39 -34.426  -8.002  -6.252
  292   1HB   TYR  39          2HB       TYR  39 -34.135  -9.376  -8.904
  293   2HB   TYR  39          1HB       TYR  39 -35.289  -9.963  -7.710
  294    HD1  TYR  39           HD2      TYR  39 -34.389  -7.065  -9.823
  295    HD2  TYR  39           HD1      TYR  39 -37.334  -8.847  -7.331
  296    HE1  TYR  39           HE2      TYR  39 -36.030  -5.399 -10.587
  297    HE2  TYR  39           HE1      TYR  39 -38.989  -7.189  -8.087
  298    HH   TYR  39           HH       TYR  39 -39.375  -5.430  -9.380
  299    H    ASP  40           H        ASP  40 -35.017 -10.699  -6.051
  300    HA   ASP  40           HA       ASP  40 -32.629 -12.197  -5.533
  301   1HB   ASP  40          2HB       ASP  40 -32.493 -12.137  -3.241
  302   2HB   ASP  40          1HB       ASP  40 -33.016 -10.490  -3.574
  303    H    GLU  41           H        GLU  41 -32.962 -14.287  -4.764
  304    HA   GLU  41           HA       GLU  41 -34.076 -16.226  -5.572
  305   1HB   GLU  41          2HB       GLU  41 -35.289 -15.529  -2.906
  306   2HB   GLU  41          1HB       GLU  41 -35.050 -17.142  -3.566
  307   1HG   GLU  41          2HG       GLU  41 -32.852 -15.207  -2.871
  308   2HG   GLU  41          1HG       GLU  41 -33.383 -16.556  -1.867
  309    H    LYS  42           H        LYS  42 -36.658 -14.432  -3.890
  310    HA   LYS  42           HA       LYS  42 -38.596 -15.644  -5.670
  311   1HB   LYS  42          2HB       LYS  42 -39.067 -15.590  -3.298
  312   2HB   LYS  42          1HB       LYS  42 -38.917 -13.840  -3.273
  313   1HG   LYS  42          2HG       LYS  42 -41.043 -13.549  -3.922
  314   2HG   LYS  42          1HG       LYS  42 -40.888 -14.737  -5.216
  315   1HD   LYS  42          2HD       LYS  42 -41.209 -15.535  -2.333
  316   2HD   LYS  42          1HD       LYS  42 -42.591 -15.227  -3.384
  317   1HE   LYS  42          2HE       LYS  42 -42.255 -17.116  -4.607
  318   2HE   LYS  42          1HE       LYS  42 -40.503 -17.057  -4.420
  319   1HZ   LYS  42          2HZ       LYS  42 -42.331 -17.774  -2.201
  320   2HZ   LYS  42          1HZ       LYS  42 -41.660 -18.924  -3.246
  321   3HZ   LYS  42          3HZ       LYS  42 -40.653 -17.977  -2.269
  322    H    ARG  43           H        ARG  43 -37.913 -12.280  -4.655
  323    HA   ARG  43           HA       ARG  43 -37.771 -11.054  -7.045
  324   1HB   ARG  43          2HB       ARG  43 -40.525 -11.956  -6.569
  325   2HB   ARG  43          1HB       ARG  43 -40.443 -10.232  -6.856
  326   1HG   ARG  43          2HG       ARG  43 -38.889 -11.222  -8.905
  327   2HG   ARG  43          1HG       ARG  43 -40.123 -12.464  -8.730
  328   1HD   ARG  43          2HD       ARG  43 -41.148 -11.062 -10.215
  329   2HD   ARG  43          1HD       ARG  43 -41.746 -10.398  -8.697
  330    HE   ARG  43           HE       ARG  43 -39.611  -8.887  -9.051
  331   1HH1  ARG  43          1HH2      ARG  43 -42.007  -9.905 -11.366
  332   2HH1  ARG  43          2HH2      ARG  43 -41.816  -8.507 -12.371
  333   1HH2  ARG  43          2HH1      ARG  43 -39.350  -7.045 -10.371
  334   2HH2  ARG  43          1HH1      ARG  43 -40.305  -6.883 -11.807
  335    H    ASN  44           H        ASN  44 -37.112 -10.820  -4.233
  336    HA   ASN  44           HA       ASN  44 -38.340  -8.283  -3.454
  337   1HB   ASN  44          2HB       ASN  44 -36.542 -10.226  -2.013
  338   2HB   ASN  44          1HB       ASN  44 -36.875  -8.621  -1.377
  339   1HD2  ASN  44          2HD2      ASN  44 -40.307 -10.712  -1.872
  340   2HD2  ASN  44          1HD2      ASN  44 -39.257 -10.354  -3.196
  341    H    LEU  45           H        LEU  45 -37.308  -6.366  -3.489
  342    HA   LEU  45           HA       LEU  45 -34.779  -6.236  -4.905
  343   1HB   LEU  45          2HB       LEU  45 -36.835  -4.741  -5.281
  344   2HB   LEU  45          1HB       LEU  45 -36.339  -3.906  -3.824
  345    HG   LEU  45           HG       LEU  45 -35.628  -2.805  -5.946
  346   1HD1  LEU  45          3HD1      LEU  45 -34.416  -2.699  -3.657
  347   2HD1  LEU  45          2HD1      LEU  45 -33.169  -3.640  -4.473
  348   3HD1  LEU  45          1HD1      LEU  45 -33.628  -2.055  -5.095
  349   1HD2  LEU  45          3HD2      LEU  45 -35.094  -5.145  -6.972
  350   2HD2  LEU  45          2HD2      LEU  45 -34.138  -3.734  -7.427
  351   3HD2  LEU  45          1HD2      LEU  45 -33.509  -4.882  -6.244
  352    H    GLN  46           H        GLN  46 -32.844  -5.817  -4.018
  353    HA   GLN  46           HA       GLN  46 -32.716  -4.762  -1.286
  354   1HB   GLN  46          2HB       GLN  46 -31.349  -7.309  -2.170
  355   2HB   GLN  46          1HB       GLN  46 -31.107  -6.510  -0.622
  356   1HG   GLN  46          2HG       GLN  46 -33.386  -6.926   0.011
  357   2HG   GLN  46          1HG       GLN  46 -33.750  -7.580  -1.585
  358   1HE2  GLN  46          2HE2      GLN  46 -31.534  -9.802   1.051
  359   2HE2  GLN  46          1HE2      GLN  46 -31.522  -8.076   1.136
  360    H    CYS  47           H        CYS  47 -30.473  -4.232  -0.630
  361    HA   CYS  47           HA       CYS  47 -29.076  -2.974  -2.870
  362   1HB   CYS  47          2HB       CYS  47 -29.733  -2.168  -0.232
  363   2HB   CYS  47          1HB       CYS  47 -27.977  -2.257  -0.306
  364    H    ILE  48           H        ILE  48 -27.624  -4.343  -3.762
  365    HA   ILE  48           HA       ILE  48 -25.991  -6.044  -2.040
  366    HB   ILE  48           HB       ILE  48 -25.714  -5.996  -5.012
  367   1HG1  ILE  48          2HG1      ILE  48 -28.074  -6.101  -4.853
  368   2HG1  ILE  48          1HG1      ILE  48 -27.550  -7.771  -5.026
  369   1HG2  ILE  48          3HG2      ILE  48 -24.308  -7.364  -3.361
  370   2HG2  ILE  48          2HG2      ILE  48 -25.749  -8.364  -3.177
  371   3HG2  ILE  48          1HG2      ILE  48 -24.988  -8.197  -4.759
  372   1HD1  ILE  48          3HD1      ILE  48 -27.606  -7.594  -2.359
  373   2HD1  ILE  48          2HD1      ILE  48 -28.850  -6.414  -2.764
  374   3HD1  ILE  48          1HD1      ILE  48 -28.992  -8.078  -3.333
  375    H    CYS  49           H        CYS  49 -24.075  -5.422  -1.344
  376    HA   CYS  49           HA       CYS  49 -22.674  -3.226  -2.683
  377   1HB   CYS  49          2HB       CYS  49 -22.196  -4.585  -0.021
  378   2HB   CYS  49          1HB       CYS  49 -21.204  -3.280  -0.661
  379    H    ASP  50           H        ASP  50 -21.052  -3.611  -4.041
  380    HA   ASP  50           HA       ASP  50 -19.929  -6.306  -4.192
  381   1HB   ASP  50          2HB       ASP  50 -20.670  -5.490  -6.303
  382   2HB   ASP  50          1HB       ASP  50 -19.849  -3.948  -6.071
  383    H    TYR  51           H        TYR  51 -17.881  -6.821  -3.810
  384    HA   TYR  51           HA       TYR  51 -16.126  -4.713  -2.737
  385   1HB   TYR  51          2HB       TYR  51 -16.355  -7.643  -2.155
  386   2HB   TYR  51          1HB       TYR  51 -14.984  -6.685  -1.615
  387    HD1  TYR  51           HD2      TYR  51 -15.293  -4.942   0.095
  388    HD2  TYR  51           HD1      TYR  51 -18.507  -7.451  -1.113
  389    HE1  TYR  51           HE2      TYR  51 -16.560  -4.270   2.093
  390    HE2  TYR  51           HE1      TYR  51 -19.784  -6.790   0.879
  391    HH   TYR  51           HH       TYR  51 -18.581  -5.529   3.501
  392    H    CYS  52           H        CYS  52 -16.526  -6.784  -5.373
  393    HA   CYS  52           HA       CYS  52 -13.699  -6.435  -6.124
  394   1HB   CYS  52          2HB       CYS  52 -15.185  -8.947  -6.831
  395   2HB   CYS  52          1HB       CYS  52 -13.450  -8.653  -6.833
  396    H    GLU  53           H        GLU  53 -16.979  -7.196  -7.258
  397    HA   GLU  53           HA       GLU  53 -18.104  -6.333  -9.074
  398   1HB   GLU  53          2HB       GLU  53 -16.315  -4.424  -8.853
  399   2HB   GLU  53          1HB       GLU  53 -15.589  -5.208 -10.250
  400   1HG   GLU  53          2HG       GLU  53 -17.000  -3.416 -10.981
  401   2HG   GLU  53          1HG       GLU  53 -17.704  -4.956 -11.468
  402    H    TYR  54           HN       TYR  54 -14.807  -7.091 -10.183
  403    HA   TYR  54           HA       TYR  54 -15.252  -9.602 -11.213
  404   1HB   TYR  54          2HB       TYR  54 -16.621  -7.705 -12.773
  405   2HB   TYR  54          1HB       TYR  54 -15.180  -8.091 -13.701
  406    HD1  TYR  54           HD2      TYR  54 -17.368 -10.214 -11.529
  407    HD2  TYR  54           HD1      TYR  54 -15.795  -9.492 -15.415
  408    HE1  TYR  54           HE2      TYR  54 -18.435 -12.277 -12.338
  409    HE2  TYR  54           HE1      TYR  54 -16.859 -11.552 -16.236
  410    HH   TYR  54           HH       TYR  54 -17.632 -13.845 -14.993
   
  No H/Q in entry =         410
  Start of MODEL   18
    1    HN   PCA   1           HN       PCA   1 -16.470 -14.906   1.771
    2    HA   PCA   1           HA       PCA   1 -14.024 -15.029   1.014
    3   1HB   PCA   1          1HB       PCA   1 -12.779 -16.669   1.952
    4   2HB   PCA   1          2HB       PCA   1 -13.850 -17.923   1.283
    5   1HG   PCA   1          1HG       PCA   1 -13.792 -16.815   3.982
    6   2HG   PCA   1          2HG       PCA   1 -14.766 -18.162   3.362
    7    H    ASP   2           H        ASP   2 -13.258 -16.422  -0.925
    8    HA   ASP   2           HA       ASP   2 -13.705 -16.813  -3.138
    9   1HB   ASP   2          2HB       ASP   2 -13.995 -19.036  -1.950
   10   2HB   ASP   2          1HB       ASP   2 -15.732 -18.757  -2.030
   11    H    LYS   3           H        LYS   3 -15.177 -14.621  -2.128
   12    HA   LYS   3           HA       LYS   3 -17.099 -14.315  -4.185
   13   1HB   LYS   3          2HB       LYS   3 -18.173 -15.703  -2.139
   14   2HB   LYS   3          1HB       LYS   3 -18.476 -14.069  -1.564
   15   1HG   LYS   3          2HG       LYS   3 -19.752 -13.543  -3.505
   16   2HG   LYS   3          1HG       LYS   3 -19.282 -15.052  -4.289
   17   1HD   LYS   3          2HD       LYS   3 -20.487 -16.323  -2.596
   18   2HD   LYS   3          1HD       LYS   3 -20.920 -14.829  -1.763
   19   1HE   LYS   3          2HE       LYS   3 -21.923 -14.180  -4.091
   20   2HE   LYS   3          1HE       LYS   3 -21.925 -15.924  -4.352
   21   1HZ   LYS   3          1HZ       LYS   3 -23.009 -15.106  -1.807
   22   2HZ   LYS   3          3HZ       LYS   3 -23.891 -14.546  -3.138
   23   3HZ   LYS   3          2HZ       LYS   3 -23.619 -16.204  -2.941
   24    H    CYS   4           H        CYS   4 -18.270 -12.180  -3.960
   25    HA   CYS   4           HA       CYS   4 -16.921 -10.282  -2.206
   26   1HB   CYS   4          2HB       CYS   4 -16.810 -10.220  -5.211
   27   2HB   CYS   4          1HB       CYS   4 -16.573  -8.765  -4.245
   28    H    LYS   5           H        LYS   5 -19.694 -11.414  -3.581
   29    HA   LYS   5           HA       LYS   5 -21.092  -8.833  -3.526
   30   1HB   LYS   5          2HB       LYS   5 -22.174 -11.524  -4.374
   31   2HB   LYS   5          1HB       LYS   5 -22.901  -9.947  -4.658
   32   1HG   LYS   5          2HG       LYS   5 -20.181 -10.481  -5.741
   33   2HG   LYS   5          1HG       LYS   5 -21.577 -11.199  -6.548
   34   1HD   LYS   5          2HD       LYS   5 -21.733  -8.312  -5.866
   35   2HD   LYS   5          1HD       LYS   5 -20.645  -8.774  -7.175
   36   1HE   LYS   5          2HE       LYS   5 -23.178  -8.198  -7.631
   37   2HE   LYS   5          1HE       LYS   5 -22.347  -9.463  -8.536
   38   1HZ   LYS   5          1HZ       LYS   5 -23.368 -10.624  -6.221
   39   2HZ   LYS   5          3HZ       LYS   5 -24.612  -9.689  -6.888
   40   3HZ   LYS   5          2HZ       LYS   5 -23.860 -10.887  -7.818
   41    H    LYS   6           H        LYS   6 -22.081  -8.260  -1.675
   42    HA   LYS   6           HA       LYS   6 -23.503 -10.294  -0.152
   43   1HB   LYS   6          2HB       LYS   6 -21.636  -8.519   1.375
   44   2HB   LYS   6          1HB       LYS   6 -22.377 -10.034   1.869
   45   1HG   LYS   6          2HG       LYS   6 -20.940 -11.220   0.247
   46   2HG   LYS   6          1HG       LYS   6 -20.148  -9.684  -0.122
   47   1HD   LYS   6          2HD       LYS   6 -19.579  -9.503   2.312
   48   2HD   LYS   6          1HD       LYS   6 -20.183 -11.149   2.512
   49   1HE   LYS   6          2HE       LYS   6 -17.919 -10.285   0.715
   50   2HE   LYS   6          1HE       LYS   6 -17.761 -11.137   2.252
   51   1HZ   LYS   6          1HZ       LYS   6 -19.437 -12.344   0.178
   52   2HZ   LYS   6          3HZ       LYS   6 -17.758 -12.411  -0.027
   53   3HZ   LYS   6          2HZ       LYS   6 -18.469 -13.086   1.350
   54    H    VAL   7           H        VAL   7 -25.459  -9.504   0.143
   55    HA   VAL   7           HA       VAL   7 -26.007  -6.712   0.041
   56    HB   VAL   7           HB       VAL   7 -28.183  -7.284  -0.198
   57   1HG1  VAL   7          1HG1      VAL   7 -26.760  -9.129  -1.359
   58   2HG1  VAL   7          3HG1      VAL   7 -27.463 -10.177  -0.126
   59   3HG1  VAL   7          2HG1      VAL   7 -28.512  -9.304  -1.243
   60   1HG2  VAL   7          1HG2      VAL   7 -27.850  -9.209   2.103
   61   2HG2  VAL   7          3HG2      VAL   7 -28.596  -7.610   2.148
   62   3HG2  VAL   7          2HG2      VAL   7 -29.369  -8.919   1.256
   63    H    TYR   8           H        TYR   8 -26.750  -5.328   1.626
   64    HA   TYR   8           HA       TYR   8 -25.837  -6.170   4.311
   65   1HB   TYR   8          2HB       TYR   8 -25.714  -3.750   4.846
   66   2HB   TYR   8          1HB       TYR   8 -24.643  -4.253   3.546
   67    HD1  TYR   8           HD2      TYR   8 -28.283  -3.321   3.430
   68    HD2  TYR   8           HD1      TYR   8 -24.315  -2.397   2.246
   69    HE1  TYR   8           HE2      TYR   8 -29.144  -1.617   1.999
   70    HE2  TYR   8           HE1      TYR   8 -25.178  -0.613   0.793
   71    HH   TYR   8           HH       TYR   8 -26.998   0.367  -0.040
   72    H    GLU   9           H        GLU   9 -28.569  -5.772   2.556
   73    HA   GLU   9           HA       GLU   9 -30.741  -5.164   3.016
   74   1HB   GLU   9          2HB       GLU   9 -30.331  -7.608   3.625
   75   2HB   GLU   9          1HB       GLU   9 -30.374  -7.078   5.299
   76   1HG   GLU   9          2HG       GLU   9 -32.647  -6.028   3.877
   77   2HG   GLU   9          1HG       GLU   9 -32.557  -7.776   3.667
   78    H    ASN  10           H        ASN  10 -31.193  -3.205   3.719
   79    HA   ASN  10           HA       ASN  10 -32.097  -2.633   6.228
   80   1HB   ASN  10          2HB       ASN  10 -30.158  -1.052   6.980
   81   2HB   ASN  10          1HB       ASN  10 -30.076  -2.770   7.346
   82   1HD2  ASN  10          2HD2      ASN  10 -27.699  -1.340   4.331
   83   2HD2  ASN  10          1HD2      ASN  10 -29.280  -0.693   4.572
   84    H    TYR  11           H        TYR  11 -30.181  -1.187   3.617
   85    HA   TYR  11           HA       TYR  11 -31.041   1.433   3.786
   86   1HB   TYR  11          2HB       TYR  11 -29.270   0.575   2.264
   87   2HB   TYR  11          1HB       TYR  11 -30.530  -0.115   1.242
   88    HD1  TYR  11           HD2      TYR  11 -31.916   1.289  -0.138
   89    HD2  TYR  11           HD1      TYR  11 -28.833   2.936   2.282
   90    HE1  TYR  11           HE2      TYR  11 -32.039   3.394  -1.419
   91    HE2  TYR  11           HE1      TYR  11 -28.928   5.034   1.007
   92    HH   TYR  11           HH       TYR  11 -29.758   5.602  -1.534
   93    HA   PRO  12           HA       PRO  12 -35.436   1.580   3.073
   94   1HB   PRO  12          2HB       PRO  12 -34.633   3.595   1.005
   95   2HB   PRO  12          1HB       PRO  12 -35.924   3.677   2.208
   96   1HG   PRO  12          2HG       PRO  12 -33.596   4.953   2.565
   97   2HG   PRO  12          1HG       PRO  12 -34.485   4.235   3.918
   98   1HD   PRO  12          2HD       PRO  12 -31.964   3.362   2.654
   99   2HD   PRO  12          1HD       PRO  12 -32.598   3.008   4.274
  100    H    VAL  13           H        VAL  13 -35.696  -0.460   2.110
  101    HA   VAL  13           HA       VAL  13 -34.885  -1.260  -0.410
  102    HB   VAL  13           HB       VAL  13 -36.020  -2.645   1.432
  103   1HG1  VAL  13          1HG1      VAL  13 -38.069  -1.220   1.486
  104   2HG1  VAL  13          3HG1      VAL  13 -38.509  -1.883  -0.089
  105   3HG1  VAL  13          2HG1      VAL  13 -38.385  -2.947   1.313
  106   1HG2  VAL  13          1HG2      VAL  13 -36.272  -2.947  -1.511
  107   2HG2  VAL  13          3HG2      VAL  13 -35.427  -3.956  -0.338
  108   3HG2  VAL  13          2HG2      VAL  13 -37.179  -4.072  -0.500
  109    H    SER  14           H        SER  14 -36.946   1.257   0.294
  110    HA   SER  14           HA       SER  14 -38.880   1.051  -1.754
  111   1HB   SER  14          2HB       SER  14 -39.309   3.409  -1.359
  112   2HB   SER  14          1HB       SER  14 -39.066   2.596   0.186
  113    HG   SER  14           HG       SER  14 -37.922   4.642  -0.111
  114    H    LYS  15           H        LYS  15 -36.672   3.778  -1.811
  115    HA   LYS  15           HA       LYS  15 -36.553   3.818  -4.635
  116   1HB   LYS  15          2HB       LYS  15 -36.250   5.796  -3.120
  117   2HB   LYS  15          1HB       LYS  15 -34.657   5.173  -2.712
  118   1HG   LYS  15          2HG       LYS  15 -34.117   6.669  -4.350
  119   2HG   LYS  15          1HG       LYS  15 -34.320   5.203  -5.311
  120   1HD   LYS  15          2HD       LYS  15 -36.515   5.869  -5.989
  121   2HD   LYS  15          1HD       LYS  15 -36.509   7.229  -4.863
  122   1HE   LYS  15          2HE       LYS  15 -34.545   8.140  -6.129
  123   2HE   LYS  15          1HE       LYS  15 -34.821   6.879  -7.331
  124   1HZ   LYS  15          1HZ       LYS  15 -36.825   8.919  -6.535
  125   2HZ   LYS  15          3HZ       LYS  15 -35.854   9.011  -7.918
  126   3HZ   LYS  15          2HZ       LYS  15 -36.992   7.769  -7.765
  127    H    CYS  16           H        CYS  16 -35.019   3.114  -6.067
  128    HA   CYS  16           HA       CYS  16 -32.440   2.227  -5.357
  129   1HB   CYS  16          2HB       CYS  16 -34.560   0.330  -4.919
  130   2HB   CYS  16          1HB       CYS  16 -33.496  -0.272  -6.184
  131    H    GLN  17           H        GLN  17 -34.117   3.651  -7.409
  132    HA   GLN  17           HA       GLN  17 -33.159   2.247  -9.824
  133   1HB   GLN  17          2HB       GLN  17 -35.312   4.357  -9.733
  134   2HB   GLN  17          1HB       GLN  17 -34.933   3.256 -11.051
  135   1HG   GLN  17          2HG       GLN  17 -35.867   2.253  -8.388
  136   2HG   GLN  17          1HG       GLN  17 -37.000   2.772  -9.634
  137   1HE2  GLN  17          2HE2      GLN  17 -35.827  -0.930  -9.690
  138   2HE2  GLN  17          1HE2      GLN  17 -35.944   0.126  -8.329
  139    H    LEU  18           H        LEU  18 -31.165   3.528  -8.754
  140    HA   LEU  18           HA       LEU  18 -30.486   5.553 -10.611
  141   1HB   LEU  18          2HB       LEU  18 -31.625   6.369  -8.057
  142   2HB   LEU  18          1HB       LEU  18 -30.023   7.044  -8.301
  143    HG   LEU  18           HG       LEU  18 -32.108   7.247 -10.433
  144   1HD1  LEU  18          1HD1      LEU  18 -31.854   8.871  -7.934
  145   2HD1  LEU  18          3HD1      LEU  18 -32.449   9.602  -9.424
  146   3HD1  LEU  18          2HD1      LEU  18 -33.305   8.235  -8.710
  147   1HD2  LEU  18          1HD2      LEU  18 -29.640   8.809  -9.710
  148   2HD2  LEU  18          3HD2      LEU  18 -29.904   7.810 -11.139
  149   3HD2  LEU  18          2HD2      LEU  18 -30.798   9.318 -10.938
  150    H    ALA  19           H        ALA  19 -28.384   5.337 -10.970
  151    HA   ALA  19           HA       ALA  19 -26.728   3.607  -9.508
  152   1HB   ALA  19          1HB       ALA  19 -26.494   4.331 -11.932
  153   2HB   ALA  19          3HB       ALA  19 -25.716   5.787 -11.313
  154   3HB   ALA  19          2HB       ALA  19 -25.003   4.205 -10.999
  155    H    ASN  20           H        ASN  20 -27.594   5.009  -7.475
  156    HA   ASN  20           HA       ASN  20 -25.213   6.198  -6.395
  157   1HB   ASN  20          2HB       ASN  20 -26.394   8.077  -7.645
  158   2HB   ASN  20          1HB       ASN  20 -27.684   7.934  -6.453
  159   1HD2  ASN  20          2HD2      ASN  20 -24.074   9.542  -5.438
  160   2HD2  ASN  20          1HD2      ASN  20 -24.249   8.573  -6.858
  161    H    GLN  21           H        GLN  21 -28.658   6.604  -5.603
  162    HA   GLN  21           HA       GLN  21 -28.423   6.132  -2.890
  163   1HB   GLN  21          2HB       GLN  21 -30.667   6.000  -4.846
  164   2HB   GLN  21          1HB       GLN  21 -30.932   5.293  -3.259
  165   1HG   GLN  21          2HG       GLN  21 -31.727   7.547  -3.249
  166   2HG   GLN  21          1HG       GLN  21 -30.291   7.446  -2.234
  167   1HE2  GLN  21          2HE2      GLN  21 -28.254   9.180  -4.685
  168   2HE2  GLN  21          1HE2      GLN  21 -28.214   7.733  -3.741
  169    H    CYS  22           H        CYS  22 -27.072   4.463  -2.503
  170    HA   CYS  22           HA       CYS  22 -27.265   2.236  -1.513
  171   1HB   CYS  22          2HB       CYS  22 -29.272   1.556  -2.775
  172   2HB   CYS  22          1HB       CYS  22 -28.312   1.473  -4.254
  173    H    ASN  23           H        ASN  23 -26.459   2.601  -4.979
  174    HA   ASN  23           HA       ASN  23 -24.168   1.008  -4.943
  175   1HB   ASN  23          2HB       ASN  23 -25.455   2.194  -6.925
  176   2HB   ASN  23          1HB       ASN  23 -24.241   3.448  -6.677
  177   1HD2  ASN  23          2HD2      ASN  23 -21.536   1.133  -7.461
  178   2HD2  ASN  23          1HD2      ASN  23 -21.987   2.188  -6.169
  179    H    TYR  24           H        TYR  24 -24.425   4.548  -4.665
  180    HA   TYR  24           HA       TYR  24 -21.745   5.095  -4.169
  181   1HB   TYR  24          2HB       TYR  24 -22.860   7.060  -4.499
  182   2HB   TYR  24          1HB       TYR  24 -24.321   6.484  -3.711
  183    HD1  TYR  24           HD2      TYR  24 -20.863   6.745  -2.352
  184    HD2  TYR  24           HD1      TYR  24 -24.869   8.165  -2.196
  185    HE1  TYR  24           HE2      TYR  24 -20.310   8.070  -0.357
  186    HE2  TYR  24           HE1      TYR  24 -24.327   9.496  -0.202
  187    HH   TYR  24           HH       TYR  24 -21.064   9.895   0.909
  188    H    ASP  25           H        ASP  25 -24.369   4.414  -1.862
  189    HA   ASP  25           HA       ASP  25 -22.943   4.691   0.502
  190   1HB   ASP  25          2HB       ASP  25 -24.894   2.437   0.304
  191   2HB   ASP  25          1HB       ASP  25 -24.739   3.682   1.542
  192    H    CYS  26           H        CYS  26 -23.366   1.736  -1.471
  193    HA   CYS  26           HA       CYS  26 -21.751   0.060   0.083
  194   1HB   CYS  26          2HB       CYS  26 -22.448   0.099  -2.847
  195   2HB   CYS  26          1HB       CYS  26 -21.303  -1.081  -2.221
  196    H    LYS  27           H        LYS  27 -21.008   2.256  -2.574
  197    HA   LYS  27           HA       LYS  27 -18.248   1.783  -2.771
  198   1HB   LYS  27          2HB       LYS  27 -19.890   3.162  -4.282
  199   2HB   LYS  27          1HB       LYS  27 -19.404   4.502  -3.253
  200   1HG   LYS  27          2HG       LYS  27 -17.082   4.169  -3.863
  201   2HG   LYS  27          1HG       LYS  27 -17.522   2.765  -4.837
  202   1HD   LYS  27          2HD       LYS  27 -18.711   4.106  -6.392
  203   2HD   LYS  27          1HD       LYS  27 -18.637   5.516  -5.332
  204   1HE   LYS  27          2HE       LYS  27 -17.030   5.436  -7.322
  205   2HE   LYS  27          1HE       LYS  27 -16.361   5.849  -5.744
  206   1HZ   LYS  27          2HZ       LYS  27 -16.299   3.045  -6.149
  207   2HZ   LYS  27          1HZ       LYS  27 -15.527   3.831  -7.431
  208   3HZ   LYS  27          3HZ       LYS  27 -15.017   4.105  -5.841
  209    H    LEU  28           H        LEU  28 -19.620   2.474  -0.034
  210    HA   LEU  28           HA       LEU  28 -17.305   3.698   1.110
  211   1HB   LEU  28          2HB       LEU  28 -18.950   5.534   0.127
  212   2HB   LEU  28          1HB       LEU  28 -19.810   5.249   1.620
  213    HG   LEU  28           HG       LEU  28 -18.404   7.132   1.971
  214   1HD1  LEU  28          3HD1      LEU  28 -17.237   4.658   3.218
  215   2HD1  LEU  28          2HD1      LEU  28 -16.772   6.293   3.680
  216   3HD1  LEU  28          1HD1      LEU  28 -18.437   5.756   3.899
  217   1HD2  LEU  28          1HD2      LEU  28 -16.892   6.528   0.019
  218   2HD2  LEU  28          3HD2      LEU  28 -16.132   7.287   1.418
  219   3HD2  LEU  28          2HD2      LEU  28 -15.984   5.549   1.171
  220    H    ASP  29           H        ASP  29 -19.582   4.639   3.192
  221    HA   ASP  29           HA       ASP  29 -20.085   3.809   5.268
  222   1HB   ASP  29          2HB       ASP  29 -21.507   2.261   3.193
  223   2HB   ASP  29          1HB       ASP  29 -21.510   1.529   4.794
  224    H    LYS  30           H        LYS  30 -19.802   0.639   3.715
  225    HA   LYS  30           HA       LYS  30 -17.988  -0.190   5.854
  226   1HB   LYS  30          2HB       LYS  30 -19.160  -1.991   3.751
  227   2HB   LYS  30          1HB       LYS  30 -18.585  -2.414   5.358
  228   1HG   LYS  30          2HG       LYS  30 -20.472  -1.192   6.340
  229   2HG   LYS  30          1HG       LYS  30 -21.057  -0.819   4.718
  230   1HD   LYS  30          2HD       LYS  30 -20.920  -3.418   4.406
  231   2HD   LYS  30          1HD       LYS  30 -21.006  -3.426   6.169
  232   1HE   LYS  30          2HE       LYS  30 -23.030  -2.504   4.172
  233   2HE   LYS  30          1HE       LYS  30 -23.235  -3.577   5.555
  234   1HZ   LYS  30          3HZ       LYS  30 -22.516  -0.752   5.972
  235   2HZ   LYS  30          2HZ       LYS  30 -24.127  -1.179   5.681
  236   3HZ   LYS  30          1HZ       LYS  30 -23.311  -1.816   7.020
  237    H    HIS  31           H        HIS  31 -17.544   1.222   3.006
  238    HA   HIS  31           HA       HIS  31 -15.715   1.484   1.678
  239   1HB   HIS  31          2HB       HIS  31 -14.309  -0.712   3.176
  240   2HB   HIS  31          1HB       HIS  31 -13.611   0.672   2.344
  241    HD1  HIS  31           HD1      HIS  31 -13.057  -0.070   5.353
  242    HD2  HIS  31           HD2      HIS  31 -15.753   2.794   4.016
  243    HE1  HIS  31           HE1      HIS  31 -13.342   1.531   7.271
  244    HE2  HIS  31           HE2      HIS  31 -14.904   3.307   6.405
  245    H    ALA  32           H        ALA  32 -17.607   0.140   0.450
  246    HA   ALA  32           HA       ALA  32 -16.577  -2.422  -0.492
  247   1HB   ALA  32          1HB       ALA  32 -19.105  -1.646  -0.042
  248   2HB   ALA  32          3HB       ALA  32 -18.984  -1.242  -1.754
  249   3HB   ALA  32          2HB       ALA  32 -18.681  -2.893  -1.214
  250    H    ARG  33           H        ARG  33 -16.944  -2.675  -3.049
  251    HA   ARG  33           HA       ARG  33 -15.281  -0.576  -4.244
  252   1HB   ARG  33          2HB       ARG  33 -14.918  -3.209  -4.342
  253   2HB   ARG  33          1HB       ARG  33 -16.006  -3.078  -5.714
  254   1HG   ARG  33          2HG       ARG  33 -13.658  -1.250  -5.613
  255   2HG   ARG  33          1HG       ARG  33 -13.380  -2.949  -5.985
  256   1HD   ARG  33          2HD       ARG  33 -14.584  -2.857  -7.951
  257   2HD   ARG  33          1HD       ARG  33 -15.515  -1.450  -7.440
  258    HE   ARG  33           HE       ARG  33 -13.887  -0.118  -8.331
  259   1HH1  ARG  33          1HH2      ARG  33 -12.584  -3.304  -7.810
  260   2HH1  ARG  33          2HH2      ARG  33 -11.066  -2.950  -8.566
  261   1HH2  ARG  33          2HH1      ARG  33 -11.885   0.364  -9.322
  262   2HH2  ARG  33          1HH1      ARG  33 -10.667  -0.863  -9.420
  263    H    SER  34           H        SER  34 -18.448  -1.841  -4.219
  264    HA   SER  34           HA       SER  34 -19.807   0.161  -5.344
  265   1HB   SER  34          2HB       SER  34 -20.100  -0.833  -7.787
  266   2HB   SER  34          1HB       SER  34 -18.799   0.298  -7.419
  267    HG   SER  34           HG       SER  34 -18.380  -1.881  -8.537
  268    H    GLY  35           H        GLY  35 -21.957  -0.284  -5.318
  269   1HA   GLY  35          2HA       GLY  35 -22.741  -3.138  -5.251
  270   2HA   GLY  35          1HA       GLY  35 -23.341  -1.986  -4.068
  271    H    GLU  36           H        GLU  36 -25.353  -3.034  -5.034
  272    HA   GLU  36           HA       GLU  36 -26.749  -1.110  -6.496
  273   1HB   GLU  36          2HB       GLU  36 -25.241  -2.983  -8.113
  274   2HB   GLU  36          1HB       GLU  36 -26.960  -3.133  -8.445
  275   1HG   GLU  36          2HG       GLU  36 -27.131  -0.977  -9.243
  276   2HG   GLU  36          1HG       GLU  36 -25.685  -0.435  -8.396
  277    H    CYS  37           H        CYS  37 -28.954  -1.764  -6.972
  278    HA   CYS  37           HA       CYS  37 -29.873  -3.721  -5.039
  279   1HB   CYS  37          2HB       CYS  37 -31.641  -2.109  -6.863
  280   2HB   CYS  37          1HB       CYS  37 -31.993  -2.730  -5.251
  281    H    PHE  38           H        PHE  38 -30.868  -5.629  -5.498
  282    HA   PHE  38           HA       PHE  38 -31.355  -6.313  -8.317
  283   1HB   PHE  38          2HB       PHE  38 -29.590  -7.792  -6.380
  284   2HB   PHE  38          1HB       PHE  38 -30.367  -8.629  -7.719
  285    HD1  PHE  38           HD2      PHE  38 -27.974  -5.966  -6.842
  286    HD2  PHE  38           HD1      PHE  38 -29.543  -8.445  -9.924
  287    HE1  PHE  38           HE2      PHE  38 -26.140  -5.274  -8.327
  288    HE2  PHE  38           HE1      PHE  38 -27.709  -7.759 -11.414
  289    HZ   PHE  38           HZ       PHE  38 -26.005  -6.169 -10.617
  290    H    TYR  39           H        TYR  39 -32.757  -8.151  -8.610
  291    HA   TYR  39           HA       TYR  39 -34.740  -8.321  -6.481
  292   1HB   TYR  39          2HB       TYR  39 -34.766  -9.073  -9.397
  293   2HB   TYR  39          1HB       TYR  39 -36.061  -9.538  -8.299
  294    HD1  TYR  39           HD1      TYR  39 -34.324  -6.653  -9.823
  295    HD2  TYR  39           HD2      TYR  39 -37.716  -7.972  -7.626
  296    HE1  TYR  39           HE1      TYR  39 -35.392  -4.466 -10.170
  297    HE2  TYR  39           HE2      TYR  39 -38.797  -5.789  -7.966
  298    HH   TYR  39           HH       TYR  39 -37.681  -3.249  -8.479
  299    H    ASP  40           H        ASP  40 -35.915 -10.730  -6.927
  300    HA   ASP  40           HA       ASP  40 -34.067 -12.896  -7.025
  301   1HB   ASP  40          2HB       ASP  40 -34.192 -13.609  -4.699
  302   2HB   ASP  40          1HB       ASP  40 -33.507 -11.989  -4.789
  303    H    GLU  41           H        GLU  41 -35.334 -14.854  -5.709
  304    HA   GLU  41           HA       GLU  41 -37.552 -15.389  -7.354
  305   1HB   GLU  41          2HB       GLU  41 -36.570 -16.758  -4.850
  306   2HB   GLU  41          1HB       GLU  41 -37.863 -17.383  -5.863
  307   1HG   GLU  41          2HG       GLU  41 -36.328 -17.549  -7.745
  308   2HG   GLU  41          1HG       GLU  41 -35.029 -16.893  -6.749
  309    H    LYS  42           H        LYS  42 -37.691 -13.018  -5.387
  310    HA   LYS  42           HA       LYS  42 -40.441 -13.580  -4.529
  311   1HB   LYS  42          2HB       LYS  42 -38.288 -12.387  -2.778
  312   2HB   LYS  42          1HB       LYS  42 -40.002 -12.353  -2.390
  313   1HG   LYS  42          2HG       LYS  42 -38.596 -14.937  -2.941
  314   2HG   LYS  42          1HG       LYS  42 -38.534 -14.184  -1.347
  315   1HD   LYS  42          2HD       LYS  42 -40.661 -14.766  -0.862
  316   2HD   LYS  42          1HD       LYS  42 -41.243 -14.331  -2.468
  317   1HE   LYS  42          2HE       LYS  42 -41.544 -16.713  -2.026
  318   2HE   LYS  42          1HE       LYS  42 -40.420 -16.443  -3.357
  319   1HZ   LYS  42          3HZ       LYS  42 -38.656 -16.608  -1.486
  320   2HZ   LYS  42          2HZ       LYS  42 -39.875 -17.419  -0.638
  321   3HZ   LYS  42          1HZ       LYS  42 -39.332 -18.022  -2.122
  322    H    ARG  43           H        ARG  43 -38.910 -11.952  -6.617
  323    HA   ARG  43           HA       ARG  43 -39.049  -9.921  -7.643
  324   1HB   ARG  43          2HB       ARG  43 -41.586 -10.843  -7.105
  325   2HB   ARG  43          1HB       ARG  43 -41.649  -9.208  -6.471
  326   1HG   ARG  43          2HG       ARG  43 -42.317  -8.856  -8.626
  327   2HG   ARG  43          1HG       ARG  43 -40.580  -8.590  -8.780
  328   1HD   ARG  43          2HD       ARG  43 -41.894 -11.250  -9.305
  329   2HD   ARG  43          1HD       ARG  43 -41.647 -10.035 -10.556
  330    HE   ARG  43           HE       ARG  43 -39.178 -10.329  -9.515
  331   1HH1  ARG  43          1HH2      ARG  43 -41.542 -12.598 -10.693
  332   2HH1  ARG  43          2HH2      ARG  43 -40.364 -13.748 -11.226
  333   1HH2  ARG  43          2HH1      ARG  43 -37.617 -11.837 -10.214
  334   2HH2  ARG  43          1HH1      ARG  43 -38.130 -13.317 -10.953
  335    H    ASN  44           H        ASN  44 -38.309 -10.072  -4.601
  336    HA   ASN  44           HA       ASN  44 -38.830  -7.294  -3.854
  337   1HB   ASN  44          2HB       ASN  44 -37.694  -9.651  -2.358
  338   2HB   ASN  44          1HB       ASN  44 -37.673  -8.018  -1.699
  339   1HD2  ASN  44          2HD2      ASN  44 -40.662  -9.702  -0.402
  340   2HD2  ASN  44          1HD2      ASN  44 -38.950  -9.912  -0.305
  341    H    LEU  45           H        LEU  45 -37.264  -5.747  -3.608
  342    HA   LEU  45           HA       LEU  45 -34.755  -6.233  -4.992
  343   1HB   LEU  45          2HB       LEU  45 -36.260  -3.824  -4.073
  344   2HB   LEU  45          1HB       LEU  45 -34.538  -3.667  -4.356
  345    HG   LEU  45           HG       LEU  45 -36.505  -4.646  -6.428
  346   1HD1  LEU  45          1HD1      LEU  45 -36.785  -2.238  -5.638
  347   2HD1  LEU  45          3HD1      LEU  45 -35.199  -1.940  -6.352
  348   3HD1  LEU  45          2HD1      LEU  45 -36.533  -2.493  -7.365
  349   1HD2  LEU  45          3HD2      LEU  45 -33.567  -4.156  -6.374
  350   2HD2  LEU  45          2HD2      LEU  45 -34.480  -5.449  -7.150
  351   3HD2  LEU  45          1HD2      LEU  45 -34.456  -3.836  -7.862
  352    H    GLN  46           H        GLN  46 -32.694  -5.915  -4.102
  353    HA   GLN  46           HA       GLN  46 -32.473  -5.411  -1.235
  354   1HB   GLN  46          2HB       GLN  46 -31.471  -7.945  -2.542
  355   2HB   GLN  46          1HB       GLN  46 -31.051  -7.429  -0.914
  356   1HG   GLN  46          2HG       GLN  46 -32.748  -8.941  -0.548
  357   2HG   GLN  46          1HG       GLN  46 -33.595  -7.395  -0.511
  358   1HE2  GLN  46          2HE2      GLN  46 -33.978  -9.497  -3.998
  359   2HE2  GLN  46          1HE2      GLN  46 -32.430  -9.276  -3.266
  360    H    CYS  47           H        CYS  47 -30.653  -4.314  -0.702
  361    HA   CYS  47           HA       CYS  47 -28.949  -3.433  -2.832
  362   1HB   CYS  47          2HB       CYS  47 -29.344  -2.724   0.013
  363   2HB   CYS  47          1HB       CYS  47 -27.753  -2.400  -0.664
  364    H    ILE  48           H        ILE  48 -27.610  -4.827  -3.629
  365    HA   ILE  48           HA       ILE  48 -25.984  -6.616  -2.029
  366    HB   ILE  48           HB       ILE  48 -26.031  -6.256  -5.014
  367   1HG1  ILE  48          2HG1      ILE  48 -27.630  -8.004  -3.160
  368   2HG1  ILE  48          1HG1      ILE  48 -28.200  -6.987  -4.481
  369   1HG2  ILE  48          2HG2      ILE  48 -23.988  -7.308  -4.059
  370   2HG2  ILE  48          1HG2      ILE  48 -25.011  -8.570  -3.373
  371   3HG2  ILE  48          3HG2      ILE  48 -24.904  -8.373  -5.122
  372   1HD1  ILE  48          2HD1      ILE  48 -27.085  -8.542  -6.066
  373   2HD1  ILE  48          1HD1      ILE  48 -26.721  -9.594  -4.698
  374   3HD1  ILE  48          3HD1      ILE  48 -28.397  -9.268  -5.137
  375    H    CYS  49           H        CYS  49 -24.064  -5.937  -1.225
  376    HA   CYS  49           HA       CYS  49 -22.709  -3.693  -2.535
  377   1HB   CYS  49          2HB       CYS  49 -22.566  -4.943   0.172
  378   2HB   CYS  49          1HB       CYS  49 -21.124  -4.146  -0.430
  379    H    ASP  50           H        ASP  50 -21.280  -4.110  -4.047
  380    HA   ASP  50           HA       ASP  50 -19.888  -6.689  -4.043
  381   1HB   ASP  50          2HB       ASP  50 -20.205  -6.638  -6.268
  382   2HB   ASP  50          1HB       ASP  50 -21.062  -5.115  -6.088
  383    H    TYR  51           H        TYR  51 -17.839  -6.889  -3.594
  384    HA   TYR  51           HA       TYR  51 -16.277  -4.469  -3.038
  385   1HB   TYR  51          2HB       TYR  51 -16.018  -7.329  -2.125
  386   2HB   TYR  51          1HB       TYR  51 -14.823  -6.086  -1.756
  387    HD1  TYR  51           HD1      TYR  51 -18.492  -6.712  -1.494
  388    HD2  TYR  51           HD2      TYR  51 -15.049  -4.919   0.246
  389    HE1  TYR  51           HE1      TYR  51 -19.834  -6.054   0.455
  390    HE2  TYR  51           HE2      TYR  51 -16.380  -4.254   2.206
  391    HH   TYR  51           HH       TYR  51 -18.451  -4.946   3.347
  392    H    CYS  52           H        CYS  52 -16.607  -6.930  -5.326
  393    HA   CYS  52           HA       CYS  52 -14.107  -6.138  -6.600
  394   1HB   CYS  52          2HB       CYS  52 -14.703  -9.061  -6.570
  395   2HB   CYS  52          1HB       CYS  52 -13.159  -8.234  -6.741
  396    H    GLU  53           H        GLU  53 -15.547  -5.065  -8.046
  397    HA   GLU  53           HA       GLU  53 -16.284  -6.678 -10.288
  398   1HB   GLU  53          2HB       GLU  53 -18.226  -6.759  -8.517
  399   2HB   GLU  53          1HB       GLU  53 -18.596  -5.161  -9.151
  400   1HG   GLU  53          2HG       GLU  53 -18.406  -6.453 -11.460
  401   2HG   GLU  53          1HG       GLU  53 -18.848  -7.817 -10.435
  402    H    TYR  54           HN       TYR  54 -14.595  -5.077 -10.894
  403    HA   TYR  54           HA       TYR  54 -13.928  -3.214 -12.013
  404   1HB   TYR  54          2HB       TYR  54 -16.867  -3.274 -12.649
  405   2HB   TYR  54          1HB       TYR  54 -15.835  -1.985 -13.259
  406    HD1  TYR  54           HD1      TYR  54 -13.526  -2.976 -14.307
  407    HD2  TYR  54           HD2      TYR  54 -17.256  -5.011 -14.107
  408    HE1  TYR  54           HE1      TYR  54 -12.840  -4.405 -16.185
  409    HE2  TYR  54           HE2      TYR  54 -16.579  -6.448 -15.988
  410    HH   TYR  54           HH       TYR  54 -13.327  -6.373 -17.275
   
  No H/Q in entry =         410
  Start of MODEL   19
    1    HN   PCA   1           HN       PCA   1 -18.262 -14.797  -9.681
    2    HA   PCA   1           HA       PCA   1 -20.241 -13.441  -8.776
    3   1HB   PCA   1          1HB       PCA   1 -22.302 -14.232  -9.282
    4   2HB   PCA   1          2HB       PCA   1 -21.965 -15.767  -8.448
    5   1HG   PCA   1          1HG       PCA   1 -21.850 -15.167 -11.304
    6   2HG   PCA   1          2HG       PCA   1 -21.675 -16.737 -10.497
    7    H    ASP   2           H        ASP   2 -21.305 -13.902  -6.549
    8    HA   ASP   2           HA       ASP   2 -21.024 -14.393  -4.344
    9   1HB   ASP   2          2HB       ASP   2 -19.767 -16.928  -5.423
   10   2HB   ASP   2          1HB       ASP   2 -20.276 -16.669  -3.759
   11    H    LYS   3           H        LYS   3 -19.457 -14.422  -2.631
   12    HA   LYS   3           HA       LYS   3 -17.471 -13.892  -1.646
   13   1HB   LYS   3          2HB       LYS   3 -16.085 -14.645  -4.212
   14   2HB   LYS   3          1HB       LYS   3 -15.429 -14.673  -2.587
   15   1HG   LYS   3          2HG       LYS   3 -17.754 -16.427  -3.253
   16   2HG   LYS   3          1HG       LYS   3 -16.147 -16.884  -3.809
   17   1HD   LYS   3          2HD       LYS   3 -16.062 -17.940  -1.804
   18   2HD   LYS   3          1HD       LYS   3 -15.605 -16.348  -1.208
   19   1HE   LYS   3          2HE       LYS   3 -17.310 -17.171   0.223
   20   2HE   LYS   3          1HE       LYS   3 -18.042 -15.921  -0.779
   21   1HZ   LYS   3          3HZ       LYS   3 -18.194 -18.774  -1.527
   22   2HZ   LYS   3          2HZ       LYS   3 -19.319 -18.083  -0.470
   23   3HZ   LYS   3          1HZ       LYS   3 -19.170 -17.494  -2.048
   24    H    CYS   4           H        CYS   4 -18.976 -12.114  -3.669
   25    HA   CYS   4           HA       CYS   4 -17.147  -9.898  -3.456
   26   1HB   CYS   4          2HB       CYS   4 -17.786 -11.160  -6.098
   27   2HB   CYS   4          1HB       CYS   4 -17.496  -9.427  -6.001
   28    H    LYS   5           H        LYS   5 -20.041 -10.951  -2.941
   29    HA   LYS   5           HA       LYS   5 -21.281  -8.353  -3.375
   30   1HB   LYS   5          2HB       LYS   5 -23.205  -9.149  -4.462
   31   2HB   LYS   5          1HB       LYS   5 -21.841  -9.853  -5.322
   32   1HG   LYS   5          2HG       LYS   5 -22.231 -11.860  -3.698
   33   2HG   LYS   5          1HG       LYS   5 -23.846 -11.157  -3.552
   34   1HD   LYS   5          2HD       LYS   5 -23.976 -11.160  -6.043
   35   2HD   LYS   5          1HD       LYS   5 -22.462 -12.061  -6.064
   36   1HE   LYS   5          2HE       LYS   5 -23.426 -13.975  -5.252
   37   2HE   LYS   5          1HE       LYS   5 -24.689 -13.101  -4.386
   38   1HZ   LYS   5          3HZ       LYS   5 -24.827 -12.818  -7.248
   39   2HZ   LYS   5          2HZ       LYS   5 -25.031 -14.411  -6.717
   40   3HZ   LYS   5          1HZ       LYS   5 -26.047 -13.189  -6.136
   41    H    LYS   6           H        LYS   6 -22.462  -7.728  -1.657
   42    HA   LYS   6           HA       LYS   6 -23.598  -9.740   0.130
   43   1HB   LYS   6          2HB       LYS   6 -21.817  -7.536   1.182
   44   2HB   LYS   6          1HB       LYS   6 -22.603  -8.794   2.123
   45   1HG   LYS   6          2HG       LYS   6 -20.536  -9.388   0.021
   46   2HG   LYS   6          1HG       LYS   6 -20.135  -9.072   1.705
   47   1HD   LYS   6          2HD       LYS   6 -21.389 -10.968   2.440
   48   2HD   LYS   6          1HD       LYS   6 -22.055 -11.224   0.826
   49   1HE   LYS   6          2HE       LYS   6 -19.808 -12.458   1.865
   50   2HE   LYS   6          1HE       LYS   6 -20.251 -12.385   0.160
   51   1HZ   LYS   6          3HZ       LYS   6 -18.682 -10.227   1.430
   52   2HZ   LYS   6          2HZ       LYS   6 -17.933 -11.615   0.817
   53   3HZ   LYS   6          1HZ       LYS   6 -18.820 -10.607  -0.213
   54    H    VAL   7           H        VAL   7 -25.579  -9.200   0.675
   55    HA   VAL   7           HA       VAL   7 -26.784  -6.804  -0.136
   56    HB   VAL   7           HB       VAL   7 -28.750  -7.713   0.523
   57   1HG1  VAL   7          3HG1      VAL   7 -27.466  -9.494  -0.616
   58   2HG1  VAL   7          2HG1      VAL   7 -27.045 -10.146   0.969
   59   3HG1  VAL   7          1HG1      VAL   7 -28.732 -10.098   0.456
   60   1HG2  VAL   7          2HG2      VAL   7 -27.399  -8.653   3.053
   61   2HG2  VAL   7          1HG2      VAL   7 -28.574  -7.348   2.880
   62   3HG2  VAL   7          3HG2      VAL   7 -29.072  -9.022   2.641
   63    H    TYR   8           H        TYR   8 -26.977  -4.865   0.778
   64    HA   TYR   8           HA       TYR   8 -25.536  -4.210   3.110
   65   1HB   TYR   8          2HB       TYR   8 -25.918  -2.463   1.523
   66   2HB   TYR   8          1HB       TYR   8 -27.656  -2.721   1.569
   67    HD1  TYR   8           HD1      TYR   8 -25.903  -2.747   4.768
   68    HD2  TYR   8           HD2      TYR   8 -27.883  -0.287   1.916
   69    HE1  TYR   8           HE1      TYR   8 -26.125  -0.979   6.455
   70    HE2  TYR   8           HE2      TYR   8 -28.110   1.490   3.603
   71    HH   TYR   8           HH       TYR   8 -26.435   1.846   6.133
   72    H    GLU   9           H        GLU   9 -28.954  -3.604   2.735
   73    HA   GLU   9           HA       GLU   9 -29.973  -5.377   4.563
   74   1HB   GLU   9          2HB       GLU   9 -28.548  -3.199   5.831
   75   2HB   GLU   9          1HB       GLU   9 -30.234  -3.199   6.324
   76   1HG   GLU   9          2HG       GLU   9 -28.693  -5.753   6.378
   77   2HG   GLU   9          1HG       GLU   9 -28.460  -4.562   7.659
   78    H    ASN  10           H        ASN  10 -31.980  -4.188   5.798
   79    HA   ASN  10           HA       ASN  10 -34.122  -4.031   4.399
   80   1HB   ASN  10          2HB       ASN  10 -34.856  -1.915   5.710
   81   2HB   ASN  10          1HB       ASN  10 -34.427  -3.370   6.604
   82   1HD2  ASN  10          2HD2      ASN  10 -31.818  -0.212   6.596
   83   2HD2  ASN  10          1HD2      ASN  10 -32.825  -0.518   5.226
   84    H    TYR  11           H        TYR  11 -31.833  -1.351   4.266
   85    HA   TYR  11           HA       TYR  11 -32.009   0.662   3.098
   86   1HB   TYR  11          2HB       TYR  11 -30.395  -0.862   2.060
   87   2HB   TYR  11          1HB       TYR  11 -31.663  -1.450   0.989
   88    HD1  TYR  11           HD2      TYR  11 -29.435   1.350   1.755
   89    HD2  TYR  11           HD1      TYR  11 -32.448  -0.103  -0.871
   90    HE1  TYR  11           HE2      TYR  11 -28.876   3.125   0.156
   91    HE2  TYR  11           HE1      TYR  11 -31.907   1.677  -2.481
   92    HH   TYR  11           HH       TYR  11 -29.155   3.400  -2.458
   93    HA   PRO  12           HA       PRO  12 -36.108   1.391   1.408
   94   1HB   PRO  12          2HB       PRO  12 -35.724   3.928   0.499
   95   2HB   PRO  12          1HB       PRO  12 -35.974   3.537   2.203
   96   1HG   PRO  12          2HG       PRO  12 -33.426   4.088   0.739
   97   2HG   PRO  12          1HG       PRO  12 -33.940   4.637   2.345
   98   1HD   PRO  12          2HD       PRO  12 -32.226   2.574   1.969
   99   2HD   PRO  12          1HD       PRO  12 -33.339   2.655   3.351
  100    H    VAL  13           H        VAL  13 -36.303   0.050  -0.318
  101    HA   VAL  13           HA       VAL  13 -34.803   0.092  -2.675
  102    HB   VAL  13           HB       VAL  13 -37.684  -0.779  -2.516
  103   1HG1  VAL  13          3HG1      VAL  13 -35.366  -1.396  -4.295
  104   2HG1  VAL  13          2HG1      VAL  13 -36.618  -2.610  -4.038
  105   3HG1  VAL  13          1HG1      VAL  13 -37.041  -1.037  -4.712
  106   1HG2  VAL  13          3HG2      VAL  13 -35.221  -2.098  -1.423
  107   2HG2  VAL  13          2HG2      VAL  13 -36.773  -1.819  -0.633
  108   3HG2  VAL  13          1HG2      VAL  13 -36.637  -3.036  -1.902
  109    H    SER  14           H        SER  14 -36.370   2.654  -1.668
  110    HA   SER  14           HA       SER  14 -38.150   3.415  -3.681
  111   1HB   SER  14          2HB       SER  14 -37.878   5.679  -2.851
  112   2HB   SER  14          1HB       SER  14 -37.913   4.560  -1.488
  113    HG   SER  14           HG       SER  14 -35.773   6.030  -2.544
  114    H    LYS  15           H        LYS  15 -34.881   2.828  -4.027
  115    HA   LYS  15           HA       LYS  15 -34.850   3.913  -6.661
  116   1HB   LYS  15          2HB       LYS  15 -32.565   5.204  -5.515
  117   2HB   LYS  15          1HB       LYS  15 -33.928   5.937  -6.342
  118   1HG   LYS  15          2HG       LYS  15 -35.088   6.322  -4.338
  119   2HG   LYS  15          1HG       LYS  15 -34.056   5.218  -3.431
  120   1HD   LYS  15          2HD       LYS  15 -32.201   6.988  -4.260
  121   2HD   LYS  15          1HD       LYS  15 -33.613   8.042  -4.223
  122   1HE   LYS  15          2HE       LYS  15 -32.678   6.319  -1.931
  123   2HE   LYS  15          1HE       LYS  15 -32.340   8.041  -2.102
  124   1HZ   LYS  15          1HZ       LYS  15 -34.862   8.282  -2.233
  125   2HZ   LYS  15          3HZ       LYS  15 -34.929   6.714  -1.599
  126   3HZ   LYS  15          2HZ       LYS  15 -34.186   7.953  -0.720
  127    H    CYS  16           H        CYS  16 -33.610   2.690  -7.868
  128    HA   CYS  16           HA       CYS  16 -31.048   1.690  -7.088
  129   1HB   CYS  16          2HB       CYS  16 -33.260  -0.349  -7.433
  130   2HB   CYS  16          1HB       CYS  16 -31.557  -0.692  -7.185
  131    H    GLN  17           H        GLN  17 -32.950   2.893  -9.320
  132    HA   GLN  17           HA       GLN  17 -32.223   1.153 -11.544
  133   1HB   GLN  17          2HB       GLN  17 -33.789   3.730 -11.633
  134   2HB   GLN  17          1HB       GLN  17 -33.693   2.501 -12.886
  135   1HG   GLN  17          2HG       GLN  17 -35.373   1.332 -11.984
  136   2HG   GLN  17          1HG       GLN  17 -34.623   1.370 -10.390
  137   1HE2  GLN  17          2HE2      GLN  17 -36.371   4.287  -9.334
  138   2HE2  GLN  17          1HE2      GLN  17 -34.834   3.504  -9.243
  139    H    LEU  18           H        LEU  18 -30.536   3.287  -9.892
  140    HA   LEU  18           HA       LEU  18 -28.806   3.888 -12.098
  141   1HB   LEU  18          2HB       LEU  18 -29.269   6.432 -10.736
  142   2HB   LEU  18          1HB       LEU  18 -29.158   6.083 -12.447
  143    HG   LEU  18           HG       LEU  18 -31.566   5.415 -12.405
  144   1HD1  LEU  18          3HD1      LEU  18 -31.185   6.057  -9.534
  145   2HD1  LEU  18          2HD1      LEU  18 -32.704   6.550 -10.284
  146   3HD1  LEU  18          1HD1      LEU  18 -32.224   4.855 -10.295
  147   1HD2  LEU  18          1HD2      LEU  18 -30.818   8.195 -11.529
  148   2HD2  LEU  18          3HD2      LEU  18 -30.953   7.593 -13.181
  149   3HD2  LEU  18          2HD2      LEU  18 -32.395   7.744 -12.177
  150    H    ALA  19           H        ALA  19 -26.763   4.116 -11.481
  151    HA   ALA  19           HA       ALA  19 -25.940   3.301  -8.941
  152   1HB   ALA  19          3HB       ALA  19 -24.537   4.557 -11.258
  153   2HB   ALA  19          2HB       ALA  19 -23.684   4.275  -9.742
  154   3HB   ALA  19          1HB       ALA  19 -24.395   2.919 -10.619
  155    H    ASN  20           H        ASN  20 -26.138   4.374  -7.098
  156    HA   ASN  20           HA       ASN  20 -24.915   6.857  -6.643
  157   1HB   ASN  20          2HB       ASN  20 -26.889   7.657  -7.956
  158   2HB   ASN  20          1HB       ASN  20 -27.932   7.011  -6.693
  159   1HD2  ASN  20          2HD2      ASN  20 -25.675   9.597  -4.741
  160   2HD2  ASN  20          1HD2      ASN  20 -25.211   7.993  -5.181
  161    H    GLN  21           H        GLN  21 -27.620   7.189  -4.895
  162    HA   GLN  21           HA       GLN  21 -27.010   7.003  -2.424
  163   1HB   GLN  21          2HB       GLN  21 -29.356   6.998  -3.261
  164   2HB   GLN  21          1HB       GLN  21 -29.268   5.246  -3.392
  165   1HG   GLN  21          2HG       GLN  21 -30.399   5.897  -1.353
  166   2HG   GLN  21          1HG       GLN  21 -28.877   5.088  -0.987
  167   1HE2  GLN  21          2HE2      GLN  21 -27.872   7.651   1.077
  168   2HE2  GLN  21          1HE2      GLN  21 -27.958   5.963   0.717
  169    H    CYS  22           H        CYS  22 -28.054   3.830  -3.649
  170    HA   CYS  22           HA       CYS  22 -26.818   2.347  -1.636
  171   1HB   CYS  22          2HB       CYS  22 -28.595   1.657  -3.411
  172   2HB   CYS  22          1HB       CYS  22 -27.198   1.220  -4.388
  173    H    ASN  23           H        ASN  23 -25.703   3.026  -4.946
  174    HA   ASN  23           HA       ASN  23 -23.326   1.605  -4.887
  175   1HB   ASN  23          2HB       ASN  23 -24.358   2.813  -6.870
  176   2HB   ASN  23          1HB       ASN  23 -23.637   4.289  -6.234
  177   1HD2  ASN  23          2HD2      ASN  23 -21.438   2.554  -8.760
  178   2HD2  ASN  23          1HD2      ASN  23 -23.122   2.936  -8.746
  179    H    TYR  24           H        TYR  24 -23.502   5.140  -4.504
  180    HA   TYR  24           HA       TYR  24 -20.984   5.544  -3.472
  181   1HB   TYR  24          2HB       TYR  24 -21.856   7.608  -3.786
  182   2HB   TYR  24          1HB       TYR  24 -23.501   7.031  -3.556
  183    HD1  TYR  24           HD2      TYR  24 -20.447   7.631  -1.479
  184    HD2  TYR  24           HD1      TYR  24 -24.673   7.967  -1.817
  185    HE1  TYR  24           HE2      TYR  24 -20.527   8.742   0.707
  186    HE2  TYR  24           HE1      TYR  24 -24.765   9.080   0.371
  187    HH   TYR  24           HH       TYR  24 -23.558   9.463   2.299
  188    H    ASP  25           H        ASP  25 -23.924   4.588  -1.763
  189    HA   ASP  25           HA       ASP  25 -23.024   4.868   0.854
  190   1HB   ASP  25          2HB       ASP  25 -25.038   3.082  -0.458
  191   2HB   ASP  25          1HB       ASP  25 -24.634   2.814   1.231
  192    H    CYS  26           H        CYS  26 -23.066   1.789  -0.998
  193    HA   CYS  26           HA       CYS  26 -21.453   0.395   0.810
  194   1HB   CYS  26          2HB       CYS  26 -21.402  -0.060  -2.180
  195   2HB   CYS  26          1HB       CYS  26 -21.109  -1.234  -0.907
  196    H    LYS  27           H        LYS  27 -20.663   2.467  -1.912
  197    HA   LYS  27           HA       LYS  27 -17.920   2.011  -2.087
  198   1HB   LYS  27          2HB       LYS  27 -19.733   3.600  -3.396
  199   2HB   LYS  27          1HB       LYS  27 -18.732   4.795  -2.590
  200   1HG   LYS  27          2HG       LYS  27 -16.760   3.950  -3.655
  201   2HG   LYS  27          1HG       LYS  27 -17.655   2.586  -4.327
  202   1HD   LYS  27          2HD       LYS  27 -17.556   4.038  -6.128
  203   2HD   LYS  27          1HD       LYS  27 -19.128   4.422  -5.428
  204   1HE   LYS  27          2HE       LYS  27 -17.439   6.114  -4.061
  205   2HE   LYS  27          1HE       LYS  27 -16.731   6.085  -5.675
  206   1HZ   LYS  27          3HZ       LYS  27 -19.627   6.432  -5.452
  207   2HZ   LYS  27          2HZ       LYS  27 -18.642   7.745  -5.046
  208   3HZ   LYS  27          1HZ       LYS  27 -18.548   7.064  -6.591
  209    H    LEU  28           H        LEU  28 -19.394   2.976   0.667
  210    HA   LEU  28           HA       LEU  28 -16.933   3.980   1.762
  211   1HB   LEU  28          2HB       LEU  28 -17.845   5.991   0.665
  212   2HB   LEU  28          1HB       LEU  28 -19.299   5.850   1.632
  213    HG   LEU  28           HG       LEU  28 -17.677   7.576   2.427
  214   1HD1  LEU  28          2HD1      LEU  28 -19.293   5.973   3.894
  215   2HD1  LEU  28          1HD1      LEU  28 -17.740   5.671   4.671
  216   3HD1  LEU  28          3HD1      LEU  28 -18.361   7.316   4.551
  217   1HD2  LEU  28          3HD2      LEU  28 -15.689   6.061   1.847
  218   2HD2  LEU  28          2HD2      LEU  28 -15.596   7.031   3.317
  219   3HD2  LEU  28          1HD2      LEU  28 -15.981   5.313   3.418
  220    H    ASP  29           H        ASP  29 -20.422   3.563   2.248
  221    HA   ASP  29           HA       ASP  29 -20.289   3.553   5.081
  222   1HB   ASP  29          2HB       ASP  29 -22.357   2.484   3.157
  223   2HB   ASP  29          1HB       ASP  29 -22.559   2.450   4.905
  224    H    LYS  30           H        LYS  30 -19.389   1.264   2.728
  225    HA   LYS  30           HA       LYS  30 -18.890  -0.713   4.823
  226   1HB   LYS  30          2HB       LYS  30 -20.465  -1.224   2.308
  227   2HB   LYS  30          1HB       LYS  30 -19.666  -2.518   3.190
  228   1HG   LYS  30          2HG       LYS  30 -21.537  -0.674   4.610
  229   2HG   LYS  30          1HG       LYS  30 -22.163  -2.010   3.640
  230   1HD   LYS  30          2HD       LYS  30 -20.848  -3.591   4.955
  231   2HD   LYS  30          1HD       LYS  30 -20.190  -2.262   5.910
  232   1HE   LYS  30          2HE       LYS  30 -22.300  -1.782   6.868
  233   2HE   LYS  30          1HE       LYS  30 -23.139  -2.812   5.710
  234   1HZ   LYS  30          3HZ       LYS  30 -21.780  -4.688   6.729
  235   2HZ   LYS  30          2HZ       LYS  30 -21.452  -3.618   7.998
  236   3HZ   LYS  30          1HZ       LYS  30 -23.049  -4.061   7.657
  237    H    HIS  31           H        HIS  31 -17.340   1.170   3.055
  238    HA   HIS  31           HA       HIS  31 -15.525   1.186   1.656
  239   1HB   HIS  31          2HB       HIS  31 -14.067  -1.022   2.693
  240   2HB   HIS  31          1HB       HIS  31 -13.927   0.670   3.150
  241    HD1  HIS  31           HD1      HIS  31 -14.584  -2.532   4.559
  242    HD2  HIS  31           HD2      HIS  31 -15.979   1.320   5.259
  243    HE1  HIS  31           HE1      HIS  31 -15.562  -2.580   6.876
  244    HE2  HIS  31           HE2      HIS  31 -16.426  -0.247   7.267
  245    H    ALA  32           H        ALA  32 -17.645  -0.186   0.443
  246    HA   ALA  32           HA       ALA  32 -16.555  -2.613  -0.724
  247   1HB   ALA  32          1HB       ALA  32 -19.089  -1.943  -0.141
  248   2HB   ALA  32          3HB       ALA  32 -19.041  -1.436  -1.828
  249   3HB   ALA  32          2HB       ALA  32 -18.672  -3.105  -1.399
  250    H    ARG  33           H        ARG  33 -17.289  -2.610  -3.283
  251    HA   ARG  33           HA       ARG  33 -15.518  -0.613  -4.479
  252   1HB   ARG  33          2HB       ARG  33 -15.427  -3.191  -4.850
  253   2HB   ARG  33          1HB       ARG  33 -16.765  -2.914  -5.953
  254   1HG   ARG  33          2HG       ARG  33 -14.109  -1.515  -6.147
  255   2HG   ARG  33          1HG       ARG  33 -14.523  -2.985  -7.030
  256   1HD   ARG  33          2HD       ARG  33 -16.616  -1.523  -7.742
  257   2HD   ARG  33          1HD       ARG  33 -15.508  -0.200  -7.392
  258    HE   ARG  33           HE       ARG  33 -14.019  -1.754  -8.988
  259   1HH1  ARG  33          1HH2      ARG  33 -17.290  -0.598  -9.273
  260   2HH1  ARG  33          2HH2      ARG  33 -17.272  -0.570 -11.004
  261   1HH2  ARG  33          1HH1      ARG  33 -15.387  -1.209 -12.145
  262   2HH2  ARG  33          2HH1      ARG  33 -13.978  -1.720 -11.276
  263    H    SER  34           H        SER  34 -18.788  -1.885  -4.711
  264    HA   SER  34           HA       SER  34 -19.807   0.616  -5.668
  265   1HB   SER  34          2HB       SER  34 -20.281   0.137  -7.852
  266   2HB   SER  34          1HB       SER  34 -18.887  -0.931  -7.685
  267    HG   SER  34           HG       SER  34 -21.616  -1.552  -7.759
  268    H    GLY  35           H        GLY  35 -22.282   0.241  -6.231
  269   1HA   GLY  35          2HA       GLY  35 -23.431  -2.002  -4.813
  270   2HA   GLY  35          1HA       GLY  35 -23.626  -0.463  -3.995
  271    H    GLU  36           H        GLU  36 -25.549  -2.335  -5.157
  272    HA   GLU  36           HA       GLU  36 -27.418  -0.520  -6.161
  273   1HB   GLU  36          2HB       GLU  36 -25.724  -1.808  -8.193
  274   2HB   GLU  36          1HB       GLU  36 -27.442  -2.073  -8.460
  275   1HG   GLU  36          2HG       GLU  36 -27.638   0.492  -8.154
  276   2HG   GLU  36          1HG       GLU  36 -25.905   0.488  -8.470
  277    H    CYS  37           H        CYS  37 -29.473  -1.583  -6.586
  278    HA   CYS  37           HA       CYS  37 -29.644  -4.007  -5.025
  279   1HB   CYS  37          2HB       CYS  37 -32.012  -2.640  -6.217
  280   2HB   CYS  37          1HB       CYS  37 -31.890  -3.526  -4.703
  281    H    PHE  38           H        PHE  38 -30.514  -5.915  -5.601
  282    HA   PHE  38           HA       PHE  38 -31.237  -6.351  -8.396
  283   1HB   PHE  38          2HB       PHE  38 -28.967  -7.726  -6.964
  284   2HB   PHE  38          1HB       PHE  38 -29.776  -8.457  -8.347
  285    HD1  PHE  38           HD1      PHE  38 -29.634  -7.409 -10.563
  286    HD2  PHE  38           HD2      PHE  38 -27.446  -5.919  -7.233
  287    HE1  PHE  38           HE1      PHE  38 -28.181  -6.139 -12.091
  288    HE2  PHE  38           HE2      PHE  38 -25.988  -4.646  -8.752
  289    HZ   PHE  38           HZ       PHE  38 -26.355  -4.754 -11.186
  290    H    TYR  39           H        TYR  39 -32.166  -8.521  -8.726
  291    HA   TYR  39           HA       TYR  39 -34.078  -9.072  -6.686
  292   1HB   TYR  39          2HB       TYR  39 -33.494 -10.209  -9.396
  293   2HB   TYR  39          1HB       TYR  39 -34.669 -10.977  -8.334
  294    HD1  TYR  39           HD1      TYR  39 -36.629  -9.631  -7.537
  295    HD2  TYR  39           HD2      TYR  39 -34.061  -8.279 -10.635
  296    HE1  TYR  39           HE1      TYR  39 -38.367  -8.053  -8.270
  297    HE2  TYR  39           HE2      TYR  39 -35.787  -6.693 -11.384
  298    HH   TYR  39           HH       TYR  39 -38.218  -6.411 -11.242
  299    H    ASP  40           H        ASP  40 -34.551 -11.356  -5.995
  300    HA   ASP  40           HA       ASP  40 -32.492 -13.299  -5.908
  301   1HB   ASP  40          2HB       ASP  40 -32.019 -13.122  -3.447
  302   2HB   ASP  40          1HB       ASP  40 -31.344 -11.818  -4.420
  303    H    GLU  41           H        GLU  41 -32.925 -14.886  -4.051
  304    HA   GLU  41           HA       GLU  41 -34.476 -16.652  -3.921
  305   1HB   GLU  41          2HB       GLU  41 -35.076 -14.622  -1.773
  306   2HB   GLU  41          1HB       GLU  41 -35.590 -16.302  -1.718
  307   1HG   GLU  41          2HG       GLU  41 -32.727 -15.385  -1.866
  308   2HG   GLU  41          1HG       GLU  41 -33.565 -15.855  -0.388
  309    H    LYS  42           H        LYS  42 -36.670 -14.284  -2.610
  310    HA   LYS  42           HA       LYS  42 -38.726 -15.214  -4.484
  311   1HB   LYS  42          2HB       LYS  42 -38.928 -13.771  -1.841
  312   2HB   LYS  42          1HB       LYS  42 -40.309 -14.152  -2.860
  313   1HG   LYS  42          2HG       LYS  42 -39.302 -16.592  -2.696
  314   2HG   LYS  42          1HG       LYS  42 -38.611 -15.942  -1.208
  315   1HD   LYS  42          2HD       LYS  42 -40.599 -16.705  -0.383
  316   2HD   LYS  42          1HD       LYS  42 -41.103 -15.085  -0.871
  317   1HE   LYS  42          2HE       LYS  42 -41.694 -16.182  -3.123
  318   2HE   LYS  42          1HE       LYS  42 -41.590 -17.707  -2.245
  319   1HZ   LYS  42          1HZ       LYS  42 -43.173 -15.740  -0.885
  320   2HZ   LYS  42          3HZ       LYS  42 -43.786 -16.120  -2.417
  321   3HZ   LYS  42          2HZ       LYS  42 -43.546 -17.342  -1.274
  322    H    ARG  43           H        ARG  43 -37.412 -13.717  -6.033
  323    HA   ARG  43           HA       ARG  43 -37.159 -11.751  -7.145
  324   1HB   ARG  43          2HB       ARG  43 -40.132 -11.687  -6.612
  325   2HB   ARG  43          1HB       ARG  43 -39.297 -10.808  -7.886
  326   1HG   ARG  43          2HG       ARG  43 -39.271 -13.808  -7.666
  327   2HG   ARG  43          1HG       ARG  43 -40.478 -12.912  -8.588
  328   1HD   ARG  43          2HD       ARG  43 -37.978 -11.900  -9.404
  329   2HD   ARG  43          1HD       ARG  43 -37.796 -13.653  -9.344
  330    HE   ARG  43           HE       ARG  43 -40.138 -12.609 -10.725
  331   1HH1  ARG  43          1HH2      ARG  43 -36.922 -13.936 -10.927
  332   2HH1  ARG  43          2HH2      ARG  43 -37.073 -14.381 -12.593
  333   1HH2  ARG  43          2HH1      ARG  43 -40.342 -13.190 -12.921
  334   2HH2  ARG  43          1HH1      ARG  43 -39.015 -13.956 -13.727
  335    H    ASN  44           H        ASN  44 -36.291 -11.230  -4.663
  336    HA   ASN  44           HA       ASN  44 -37.618  -8.746  -3.806
  337   1HB   ASN  44          2HB       ASN  44 -36.215 -10.893  -2.408
  338   2HB   ASN  44          1HB       ASN  44 -35.594  -9.307  -1.959
  339   1HD2  ASN  44          2HD2      ASN  44 -39.592  -9.918  -1.344
  340   2HD2  ASN  44          1HD2      ASN  44 -38.841 -10.433  -2.811
  341    H    LEU  45           H        LEU  45 -36.767  -6.876  -4.430
  342    HA   LEU  45           HA       LEU  45 -34.128  -6.804  -5.631
  343   1HB   LEU  45          2HB       LEU  45 -36.001  -5.631  -6.699
  344   2HB   LEU  45          1HB       LEU  45 -36.205  -4.639  -5.269
  345    HG   LEU  45           HG       LEU  45 -33.953  -3.669  -5.661
  346   1HD1  LEU  45          3HD1      LEU  45 -34.082  -5.387  -8.126
  347   2HD1  LEU  45          2HD1      LEU  45 -32.999  -4.006  -7.961
  348   3HD1  LEU  45          1HD1      LEU  45 -32.845  -5.382  -6.869
  349   1HD2  LEU  45          3HD2      LEU  45 -36.139  -2.714  -6.566
  350   2HD2  LEU  45          2HD2      LEU  45 -34.644  -2.155  -7.318
  351   3HD2  LEU  45          1HD2      LEU  45 -35.639  -3.363  -8.128
  352    H    GLN  46           H        GLN  46 -32.815  -7.191  -3.822
  353    HA   GLN  46           HA       GLN  46 -32.880  -5.201  -1.659
  354   1HB   GLN  46          2HB       GLN  46 -32.039  -8.006  -1.888
  355   2HB   GLN  46          1HB       GLN  46 -30.950  -7.013  -0.930
  356   1HG   GLN  46          2HG       GLN  46 -32.978  -6.257   0.364
  357   2HG   GLN  46          1HG       GLN  46 -33.870  -7.532  -0.468
  358   1HE2  GLN  46          2HE2      GLN  46 -32.930  -9.135   2.593
  359   2HE2  GLN  46          1HE2      GLN  46 -34.084  -8.021   1.951
  360    H    CYS  47           H        CYS  47 -31.159  -3.936  -1.071
  361    HA   CYS  47           HA       CYS  47 -29.439  -3.004  -3.089
  362   1HB   CYS  47          2HB       CYS  47 -30.129  -2.275  -0.426
  363   2HB   CYS  47          1HB       CYS  47 -28.376  -2.258  -0.555
  364    H    ILE  48           H        ILE  48 -28.003  -4.396  -3.962
  365    HA   ILE  48           HA       ILE  48 -26.367  -6.072  -2.229
  366    HB   ILE  48           HB       ILE  48 -26.352  -5.947  -5.236
  367   1HG1  ILE  48          2HG1      ILE  48 -28.146  -7.337  -3.306
  368   2HG1  ILE  48          1HG1      ILE  48 -28.497  -6.708  -4.912
  369   1HG2  ILE  48          1HG2      ILE  48 -24.349  -6.919  -4.140
  370   2HG2  ILE  48          3HG2      ILE  48 -25.395  -8.115  -3.376
  371   3HG2  ILE  48          2HG2      ILE  48 -25.235  -8.074  -5.131
  372   1HD1  ILE  48          2HD1      ILE  48 -27.112  -8.648  -5.795
  373   2HD1  ILE  48          1HD1      ILE  48 -27.219  -9.312  -4.166
  374   3HD1  ILE  48          3HD1      ILE  48 -28.688  -9.028  -5.099
  375    H    CYS  49           H        CYS  49 -24.446  -5.452  -1.525
  376    HA   CYS  49           HA       CYS  49 -23.059  -3.207  -2.797
  377   1HB   CYS  49          2HB       CYS  49 -22.640  -4.674  -0.189
  378   2HB   CYS  49          1HB       CYS  49 -21.520  -3.460  -0.788
  379    H    ASP  50           H        ASP  50 -21.630  -3.644  -4.345
  380    HA   ASP  50           HA       ASP  50 -20.431  -6.301  -4.504
  381   1HB   ASP  50          2HB       ASP  50 -21.426  -4.549  -6.421
  382   2HB   ASP  50          1HB       ASP  50 -19.683  -4.420  -6.623
  383    H    TYR  51           H        TYR  51 -18.311  -6.741  -4.370
  384    HA   TYR  51           HA       TYR  51 -16.562  -4.574  -3.408
  385   1HB   TYR  51          2HB       TYR  51 -16.614  -7.533  -2.887
  386   2HB   TYR  51          1HB       TYR  51 -15.222  -6.537  -2.473
  387    HD1  TYR  51           HD1      TYR  51 -15.483  -4.725  -0.767
  388    HD2  TYR  51           HD2      TYR  51 -18.557  -7.562  -1.538
  389    HE1  TYR  51           HE1      TYR  51 -16.548  -4.147   1.376
  390    HE2  TYR  51           HE2      TYR  51 -19.630  -6.993   0.598
  391    HH   TYR  51           HH       TYR  51 -18.080  -5.070   2.980
  392    H    CYS  52           H        CYS  52 -16.993  -6.957  -5.878
  393    HA   CYS  52           HA       CYS  52 -14.575  -6.005  -7.196
  394   1HB   CYS  52          2HB       CYS  52 -14.663  -8.862  -7.568
  395   2HB   CYS  52          1HB       CYS  52 -13.366  -7.877  -6.902
  396    H    GLU  53           H        GLU  53 -17.094  -8.504  -7.549
  397    HA   GLU  53           HA       GLU  53 -18.780  -8.612  -9.130
  398   1HB   GLU  53          2HB       GLU  53 -18.153  -6.082  -9.553
  399   2HB   GLU  53          1HB       GLU  53 -17.370  -6.733 -10.985
  400   1HG   GLU  53          2HG       GLU  53 -19.376  -7.448 -11.911
  401   2HG   GLU  53          1HG       GLU  53 -20.221  -7.395 -10.368
  402    H    TYR  54           HN       TYR  54 -16.008  -7.828 -11.209
  403    HA   TYR  54           HA       TYR  54 -15.667 -10.666 -11.828
  404   1HB   TYR  54          2HB       TYR  54 -17.058  -8.887 -13.514
  405   2HB   TYR  54          1HB       TYR  54 -15.487  -9.113 -14.271
  406    HD1  TYR  54           HD2      TYR  54 -17.954 -11.291 -12.497
  407    HD2  TYR  54           HD1      TYR  54 -15.484 -10.725 -15.910
  408    HE1  TYR  54           HE2      TYR  54 -18.725 -13.446 -13.405
  409    HE2  TYR  54           HE1      TYR  54 -16.245 -12.875 -16.829
  410    HH   TYR  54           HH       TYR  54 -18.427 -14.344 -16.510
   
  No H/Q in entry =         410
  Start of MODEL   20
    1    HN   PCA   1           HN       PCA   1  -8.734 -12.708   0.533
    2    HA   PCA   1           HA       PCA   1  -9.833 -10.750  -0.628
    3   1HB   PCA   1          1HB       PCA   1  -9.950 -10.996  -2.875
    4   2HB   PCA   1          2HB       PCA   1 -11.282 -12.153  -2.649
    5   1HG   PCA   1          1HG       PCA   1  -8.602 -12.726  -3.469
    6   2HG   PCA   1          2HG       PCA   1  -9.872 -13.898  -3.073
    7    H    ASP   2           H        ASP   2 -10.828 -13.956   0.195
    8    HA   ASP   2           HA       ASP   2 -12.774 -14.834   1.030
    9   1HB   ASP   2          2HB       ASP   2 -12.067 -13.761   3.023
   10   2HB   ASP   2          1HB       ASP   2 -12.528 -12.170   2.424
   11    H    LYS   3           H        LYS   3 -13.963 -14.897  -0.926
   12    HA   LYS   3           HA       LYS   3 -15.763 -14.497  -2.259
   13   1HB   LYS   3          2HB       LYS   3 -16.853 -12.693  -0.112
   14   2HB   LYS   3          1HB       LYS   3 -17.740 -13.680  -1.266
   15   1HG   LYS   3          2HG       LYS   3 -16.860 -15.703  -0.118
   16   2HG   LYS   3          1HG       LYS   3 -16.149 -14.642   1.100
   17   1HD   LYS   3          2HD       LYS   3 -19.045 -14.337   0.478
   18   2HD   LYS   3          1HD       LYS   3 -18.537 -15.731   1.435
   19   1HE   LYS   3          2HE       LYS   3 -17.917 -12.849   2.072
   20   2HE   LYS   3          1HE       LYS   3 -19.179 -13.814   2.835
   21   1HZ   LYS   3          3HZ       LYS   3 -16.647 -15.120   2.930
   22   2HZ   LYS   3          2HZ       LYS   3 -16.577 -13.594   3.654
   23   3HZ   LYS   3          1HZ       LYS   3 -17.704 -14.734   4.194
   24    H    CYS   4           H        CYS   4 -17.341 -12.319  -2.732
   25    HA   CYS   4           HA       CYS   4 -15.693  -9.967  -3.023
   26   1HB   CYS   4          2HB       CYS   4 -16.360 -11.764  -5.325
   27   2HB   CYS   4          1HB       CYS   4 -16.205 -10.030  -5.585
   28    H    LYS   5           H        LYS   5 -18.689 -11.643  -3.886
   29    HA   LYS   5           HA       LYS   5 -20.095  -9.068  -4.030
   30   1HB   LYS   5          2HB       LYS   5 -20.646 -10.304  -5.919
   31   2HB   LYS   5          1HB       LYS   5 -20.681 -11.826  -5.041
   32   1HG   LYS   5          2HG       LYS   5 -22.699  -9.803  -4.264
   33   2HG   LYS   5          1HG       LYS   5 -22.890 -10.550  -5.850
   34   1HD   LYS   5          2HD       LYS   5 -22.336 -12.331  -3.532
   35   2HD   LYS   5          1HD       LYS   5 -23.947 -11.618  -3.663
   36   1HE   LYS   5          2HE       LYS   5 -23.893 -13.792  -4.744
   37   2HE   LYS   5          1HE       LYS   5 -24.150 -12.518  -5.935
   38   1HZ   LYS   5          1HZ       LYS   5 -21.468 -13.637  -5.365
   39   2HZ   LYS   5          3HZ       LYS   5 -22.494 -14.294  -6.539
   40   3HZ   LYS   5          2HZ       LYS   5 -21.949 -12.701  -6.689
   41    H    LYS   6           H        LYS   6 -21.729  -8.510  -2.672
   42    HA   LYS   6           HA       LYS   6 -22.699 -10.433  -0.708
   43   1HB   LYS   6          2HB       LYS   6 -21.797  -7.744   0.276
   44   2HB   LYS   6          1HB       LYS   6 -22.109  -9.210   1.196
   45   1HG   LYS   6          2HG       LYS   6 -20.095 -10.213   0.059
   46   2HG   LYS   6          1HG       LYS   6 -19.744  -8.595  -0.553
   47   1HD   LYS   6          2HD       LYS   6 -19.423  -7.736   1.622
   48   2HD   LYS   6          1HD       LYS   6 -20.144  -9.160   2.374
   49   1HE   LYS   6          2HE       LYS   6 -18.278 -10.514   1.784
   50   2HE   LYS   6          1HE       LYS   6 -17.614  -9.254   0.745
   51   1HZ   LYS   6          2HZ       LYS   6 -17.579  -7.900   2.936
   52   2HZ   LYS   6          1HZ       LYS   6 -17.634  -9.417   3.681
   53   3HZ   LYS   6          3HZ       LYS   6 -16.358  -9.031   2.637
   54    H    VAL   7           H        VAL   7 -24.111  -8.611   0.904
   55    HA   VAL   7           HA       VAL   7 -25.605  -6.774  -0.673
   56    HB   VAL   7           HB       VAL   7 -27.184  -8.081  -1.589
   57   1HG1  VAL   7          1HG1      VAL   7 -25.705 -10.277  -0.194
   58   2HG1  VAL   7          3HG1      VAL   7 -27.190 -10.609  -1.080
   59   3HG1  VAL   7          2HG1      VAL   7 -25.810  -9.908  -1.917
   60   1HG2  VAL   7          1HG2      VAL   7 -27.825  -9.057   1.197
   61   2HG2  VAL   7          3HG2      VAL   7 -28.521  -7.650   0.393
   62   3HG2  VAL   7          2HG2      VAL   7 -28.843  -9.269  -0.226
   63    H    TYR   8           H        TYR   8 -27.325  -5.743   0.515
   64    HA   TYR   8           HA       TYR   8 -26.722  -5.630   3.348
   65   1HB   TYR   8          2HB       TYR   8 -27.305  -3.701   1.555
   66   2HB   TYR   8          1HB       TYR   8 -28.912  -3.970   2.222
   67    HD1  TYR   8           HD1      TYR   8 -28.189  -4.594   5.052
   68    HD2  TYR   8           HD2      TYR   8 -26.739  -1.597   2.402
   69    HE1  TYR   8           HE1      TYR   8 -27.629  -3.166   6.976
   70    HE2  TYR   8           HE2      TYR   8 -26.174  -0.164   4.319
   71    HH   TYR   8           HH       TYR   8 -27.309  -0.723   7.427
   72    H    GLU   9           H        GLU   9 -27.657  -7.129   4.601
   73    HA   GLU   9           HA       GLU   9 -30.057  -8.469   3.990
   74   1HB   GLU   9          2HB       GLU   9 -29.012  -8.202   6.791
   75   2HB   GLU   9          1HB       GLU   9 -29.832  -9.567   6.049
   76   1HG   GLU   9          2HG       GLU   9 -27.043  -8.635   5.409
   77   2HG   GLU   9          1HG       GLU   9 -27.469 -10.017   6.418
   78    H    ASN  10           H        ASN  10 -29.798  -5.334   4.623
   79    HA   ASN  10           HA       ASN  10 -32.473  -4.820   5.026
   80   1HB   ASN  10          2HB       ASN  10 -32.326  -3.998   7.474
   81   2HB   ASN  10          1HB       ASN  10 -32.542  -5.721   7.189
   82   1HD2  ASN  10          2HD2      ASN  10 -30.004  -5.696   9.706
   83   2HD2  ASN  10          1HD2      ASN  10 -31.713  -5.543   9.503
   84    H    TYR  11           H        TYR  11 -32.699  -2.824   4.296
   85    HA   TYR  11           HA       TYR  11 -31.437  -0.555   5.287
   86   1HB   TYR  11          2HB       TYR  11 -29.418  -0.509   4.293
   87   2HB   TYR  11          1HB       TYR  11 -29.762  -2.048   3.519
   88    HD1  TYR  11           HD2      TYR  11 -31.338  -1.820   1.363
   89    HD2  TYR  11           HD1      TYR  11 -28.864   1.266   2.929
   90    HE1  TYR  11           HE2      TYR  11 -31.331  -0.719  -0.834
   91    HE2  TYR  11           HE1      TYR  11 -28.849   2.376   0.734
   92    HH   TYR  11           HH       TYR  11 -29.398   2.183  -1.432
   93    HA   PRO  12           HA       PRO  12 -34.499   1.887   3.309
   94   1HB   PRO  12          2HB       PRO  12 -32.221   2.869   1.618
   95   2HB   PRO  12          1HB       PRO  12 -33.540   3.789   2.353
   96   1HG   PRO  12          2HG       PRO  12 -31.081   3.631   3.473
   97   2HG   PRO  12          1HG       PRO  12 -32.562   3.785   4.432
   98   1HD   PRO  12          2HD       PRO  12 -30.743   1.510   4.216
   99   2HD   PRO  12          1HD       PRO  12 -32.076   1.767   5.359
  100    H    VAL  13           H        VAL  13 -35.354  -0.106   2.366
  101    HA   VAL  13           HA       VAL  13 -34.589  -1.207  -0.075
  102    HB   VAL  13           HB       VAL  13 -37.449  -1.041   0.850
  103   1HG1  VAL  13          2HG1      VAL  13 -36.999  -2.017  -1.372
  104   2HG1  VAL  13          1HG1      VAL  13 -35.946  -3.209  -0.610
  105   3HG1  VAL  13          3HG1      VAL  13 -37.669  -3.188  -0.236
  106   1HG2  VAL  13          2HG2      VAL  13 -35.158  -2.595   1.970
  107   2HG2  VAL  13          1HG2      VAL  13 -36.464  -1.760   2.809
  108   3HG2  VAL  13          3HG2      VAL  13 -36.780  -3.287   1.987
  109    H    SER  14           H        SER  14 -36.681   1.540   0.625
  110    HA   SER  14           HA       SER  14 -37.766   1.874  -1.943
  111   1HB   SER  14          2HB       SER  14 -38.881   3.530  -0.900
  112   2HB   SER  14          1HB       SER  14 -37.907   3.216   0.537
  113    HG   SER  14           HG       SER  14 -36.922   4.829  -1.552
  114    H    LYS  15           H        LYS  15 -34.930   3.415  -0.433
  115    HA   LYS  15           HA       LYS  15 -34.211   4.926  -2.704
  116   1HB   LYS  15          2HB       LYS  15 -32.881   4.131  -0.165
  117   2HB   LYS  15          1HB       LYS  15 -31.846   4.699  -1.466
  118   1HG   LYS  15          2HG       LYS  15 -32.948   6.805  -1.533
  119   2HG   LYS  15          1HG       LYS  15 -34.217   6.238  -0.445
  120   1HD   LYS  15          2HD       LYS  15 -32.693   7.602   0.811
  121   2HD   LYS  15          1HD       LYS  15 -32.491   5.925   1.316
  122   1HE   LYS  15          2HE       LYS  15 -30.723   6.657  -0.890
  123   2HE   LYS  15          1HE       LYS  15 -30.464   7.643   0.547
  124   1HZ   LYS  15          2HZ       LYS  15 -30.341   5.510   1.817
  125   2HZ   LYS  15          1HZ       LYS  15 -30.320   4.690   0.337
  126   3HZ   LYS  15          3HZ       LYS  15 -29.072   5.764   0.727
  127    H    CYS  16           H        CYS  16 -34.070   3.827  -4.578
  128    HA   CYS  16           HA       CYS  16 -31.738   2.340  -5.138
  129   1HB   CYS  16          2HB       CYS  16 -34.015   0.821  -4.198
  130   2HB   CYS  16          1HB       CYS  16 -33.620   0.359  -5.850
  131    H    GLN  17           H        GLN  17 -31.327   3.241  -7.033
  132    HA   GLN  17           HA       GLN  17 -33.365   3.134  -9.134
  133   1HB   GLN  17          2HB       GLN  17 -31.839   5.556  -8.207
  134   2HB   GLN  17          1HB       GLN  17 -32.391   5.429  -9.873
  135   1HG   GLN  17          2HG       GLN  17 -34.666   5.353  -9.204
  136   2HG   GLN  17          1HG       GLN  17 -34.224   5.159  -7.508
  137   1HE2  GLN  17          2HE2      GLN  17 -35.096   8.732  -8.631
  138   2HE2  GLN  17          1HE2      GLN  17 -35.754   7.224  -9.160
  139    H    LEU  18           H        LEU  18 -31.559   1.249  -8.982
  140    HA   LEU  18           HA       LEU  18 -29.594   0.346  -9.807
  141   1HB   LEU  18          2HB       LEU  18 -30.739   1.676 -12.251
  142   2HB   LEU  18          1HB       LEU  18 -29.672   0.285 -12.237
  143    HG   LEU  18           HG       LEU  18 -32.396   0.229 -10.956
  144   1HD1  LEU  18          1HD1      LEU  18 -31.613  -0.266 -13.811
  145   2HD1  LEU  18          3HD1      LEU  18 -33.040  -1.010 -13.087
  146   3HD1  LEU  18          2HD1      LEU  18 -32.913   0.747 -13.183
  147   1HD2  LEU  18          3HD2      LEU  18 -30.405  -1.852 -11.820
  148   2HD2  LEU  18          2HD2      LEU  18 -31.038  -1.551 -10.201
  149   3HD2  LEU  18          1HD2      LEU  18 -32.085  -2.232 -11.446
  150    H    ALA  19           H        ALA  19 -27.825   1.373  -8.973
  151    HA   ALA  19           HA       ALA  19 -25.734   2.314  -9.471
  152   1HB   ALA  19          1HB       ALA  19 -26.614   2.777 -11.838
  153   2HB   ALA  19          3HB       ALA  19 -27.011   4.382 -11.221
  154   3HB   ALA  19          2HB       ALA  19 -25.343   3.815 -11.198
  155    H    ASN  20           H        ASN  20 -24.691   3.973  -8.420
  156    HA   ASN  20           HA       ASN  20 -24.390   5.618  -6.897
  157   1HB   ASN  20          2HB       ASN  20 -25.744   6.840  -8.755
  158   2HB   ASN  20          1HB       ASN  20 -27.061   6.792  -7.589
  159   1HD2  ASN  20          2HD2      ASN  20 -24.818   8.668  -5.238
  160   2HD2  ASN  20          1HD2      ASN  20 -25.391   7.039  -5.274
  161    H    GLN  21           H        GLN  21 -27.930   5.572  -6.692
  162    HA   GLN  21           HA       GLN  21 -28.023   5.582  -3.909
  163   1HB   GLN  21          2HB       GLN  21 -29.862   5.763  -5.986
  164   2HB   GLN  21          1HB       GLN  21 -30.377   4.333  -5.105
  165   1HG   GLN  21          2HG       GLN  21 -31.555   6.138  -4.172
  166   2HG   GLN  21          1HG       GLN  21 -30.288   5.737  -3.013
  167   1HE2  GLN  21          1HE2      GLN  21 -28.657   7.186  -2.622
  168   2HE2  GLN  21          2HE2      GLN  21 -28.666   8.806  -3.224
  169    H    CYS  22           H        CYS  22 -26.234   3.574  -4.582
  170    HA   CYS  22           HA       CYS  22 -26.903   1.527  -2.823
  171   1HB   CYS  22          2HB       CYS  22 -28.413   0.918  -4.815
  172   2HB   CYS  22          1HB       CYS  22 -26.930   0.528  -5.674
  173    H    ASN  23           H        ASN  23 -25.242   2.053  -5.913
  174    HA   ASN  23           HA       ASN  23 -22.922   0.591  -5.342
  175   1HB   ASN  23          2HB       ASN  23 -23.354   1.296  -7.604
  176   2HB   ASN  23          1HB       ASN  23 -23.388   2.991  -7.127
  177   1HD2  ASN  23          1HD2      ASN  23 -21.748   1.583  -9.107
  178   2HD2  ASN  23          2HD2      ASN  23 -20.108   1.910  -8.674
  179    H    TYR  24           H        TYR  24 -23.575   4.078  -5.072
  180    HA   TYR  24           HA       TYR  24 -21.163   4.804  -3.859
  181   1HB   TYR  24          2HB       TYR  24 -22.211   6.746  -4.391
  182   2HB   TYR  24          1HB       TYR  24 -23.803   6.017  -4.276
  183    HD1  TYR  24           HD1      TYR  24 -21.135   6.564  -1.720
  184    HD2  TYR  24           HD2      TYR  24 -25.126   7.365  -2.957
  185    HE1  TYR  24           HE1      TYR  24 -21.537   7.778   0.384
  186    HE2  TYR  24           HE2      TYR  24 -25.538   8.583  -0.859
  187    HH   TYR  24           HH       TYR  24 -23.404   9.810   1.013
  188    H    ASP  25           H        ASP  25 -24.248   3.773  -2.467
  189    HA   ASP  25           HA       ASP  25 -23.663   4.121   0.222
  190   1HB   ASP  25          2HB       ASP  25 -25.216   1.735  -0.746
  191   2HB   ASP  25          1HB       ASP  25 -25.483   2.716   0.692
  192    H    CYS  26           H        CYS  26 -23.294   1.085  -1.641
  193    HA   CYS  26           HA       CYS  26 -21.991  -0.326   0.375
  194   1HB   CYS  26          2HB       CYS  26 -21.553  -0.556  -2.614
  195   2HB   CYS  26          1HB       CYS  26 -21.083  -1.758  -1.418
  196    H    LYS  27           H        LYS  27 -20.730   1.838  -2.107
  197    HA   LYS  27           HA       LYS  27 -17.999   1.490  -1.559
  198   1HB   LYS  27          2HB       LYS  27 -19.361   2.782  -3.482
  199   2HB   LYS  27          1HB       LYS  27 -18.938   4.160  -2.478
  200   1HG   LYS  27          2HG       LYS  27 -16.676   3.925  -2.877
  201   2HG   LYS  27          1HG       LYS  27 -16.818   2.218  -3.299
  202   1HD   LYS  27          2HD       LYS  27 -16.361   3.663  -5.252
  203   2HD   LYS  27          1HD       LYS  27 -17.875   2.767  -5.391
  204   1HE   LYS  27          2HE       LYS  27 -17.917   5.219  -6.072
  205   2HE   LYS  27          1HE       LYS  27 -19.172   4.678  -4.961
  206   1HZ   LYS  27          2HZ       LYS  27 -16.935   5.553  -3.491
  207   2HZ   LYS  27          1HZ       LYS  27 -17.361   6.755  -4.601
  208   3HZ   LYS  27          3HZ       LYS  27 -18.505   6.179  -3.496
  209    H    LEU  28           H        LEU  28 -20.040   2.253   0.726
  210    HA   LEU  28           HA       LEU  28 -18.074   3.658   2.280
  211   1HB   LEU  28          2HB       LEU  28 -19.303   5.428   0.893
  212   2HB   LEU  28          1HB       LEU  28 -20.694   5.082   1.904
  213    HG   LEU  28           HG       LEU  28 -18.986   5.562   3.862
  214   1HD1  LEU  28          3HD1      LEU  28 -17.171   5.837   2.023
  215   2HD1  LEU  28          2HD1      LEU  28 -17.865   7.447   1.836
  216   3HD1  LEU  28          1HD1      LEU  28 -17.204   6.948   3.393
  217   1HD2  LEU  28          2HD2      LEU  28 -21.060   6.814   3.353
  218   2HD2  LEU  28          1HD2      LEU  28 -19.752   7.849   3.923
  219   3HD2  LEU  28          3HD2      LEU  28 -20.152   7.798   2.206
  220    H    ASP  29           H        ASP  29 -21.486   2.699   2.062
  221    HA   ASP  29           HA       ASP  29 -21.906   2.553   4.865
  222   1HB   ASP  29          2HB       ASP  29 -23.374   1.398   2.497
  223   2HB   ASP  29          1HB       ASP  29 -23.892   1.097   4.152
  224    H    LYS  30           H        LYS  30 -20.287   0.561   2.648
  225    HA   LYS  30           HA       LYS  30 -19.900  -1.475   4.713
  226   1HB   LYS  30          2HB       LYS  30 -21.235  -1.869   2.127
  227   2HB   LYS  30          1HB       LYS  30 -19.923  -3.003   2.413
  228   1HG   LYS  30          2HG       LYS  30 -20.947  -3.736   4.468
  229   2HG   LYS  30          1HG       LYS  30 -22.217  -2.521   4.304
  230   1HD   LYS  30          2HD       LYS  30 -23.056  -3.593   2.320
  231   2HD   LYS  30          1HD       LYS  30 -21.704  -4.727   2.312
  232   1HE   LYS  30          2HE       LYS  30 -22.490  -5.564   4.527
  233   2HE   LYS  30          1HE       LYS  30 -23.913  -4.538   4.353
  234   1HZ   LYS  30          1HZ       LYS  30 -23.193  -6.514   2.281
  235   2HZ   LYS  30          3HZ       LYS  30 -24.091  -6.966   3.642
  236   3HZ   LYS  30          2HZ       LYS  30 -24.695  -5.796   2.579
  237    H    HIS  31           H        HIS  31 -18.579   0.756   2.813
  238    HA   HIS  31           HA       HIS  31 -16.518   1.183   1.954
  239   1HB   HIS  31          2HB       HIS  31 -15.475  -1.004   3.739
  240   2HB   HIS  31          1HB       HIS  31 -14.688   0.500   3.274
  241    HD1  HIS  31           HD1      HIS  31 -15.833  -0.860   6.183
  242    HD2  HIS  31           HD2      HIS  31 -16.783   2.703   4.266
  243    HE1  HIS  31           HE1      HIS  31 -16.772   0.638   7.973
  244    HE2  HIS  31           HE2      HIS  31 -17.357   2.782   6.787
  245    H    ALA  32           H        ALA  32 -18.093  -0.712   0.518
  246    HA   ALA  32           HA       ALA  32 -16.287  -2.806  -0.359
  247   1HB   ALA  32          1HB       ALA  32 -18.933  -2.814  -0.155
  248   2HB   ALA  32          3HB       ALA  32 -18.815  -2.240  -1.817
  249   3HB   ALA  32          2HB       ALA  32 -18.089  -3.783  -1.362
  250    H    ARG  33           H        ARG  33 -16.793  -2.960  -3.052
  251    HA   ARG  33           HA       ARG  33 -15.266  -0.668  -4.046
  252   1HB   ARG  33          2HB       ARG  33 -15.756  -3.436  -5.135
  253   2HB   ARG  33          1HB       ARG  33 -15.000  -2.167  -6.092
  254   1HG   ARG  33          2HG       ARG  33 -13.963  -3.265  -3.486
  255   2HG   ARG  33          1HG       ARG  33 -13.343  -3.642  -5.094
  256   1HD   ARG  33          2HD       ARG  33 -13.101  -1.032  -5.263
  257   2HD   ARG  33          1HD       ARG  33 -13.102  -1.130  -3.503
  258    HE   ARG  33           HE       ARG  33 -11.258  -2.961  -4.167
  259   1HH1  ARG  33          1HH2      ARG  33 -11.728   0.341  -5.172
  260   2HH1  ARG  33          2HH2      ARG  33 -10.043   0.635  -5.442
  261   1HH2  ARG  33          2HH1      ARG  33  -9.037  -2.583  -4.520
  262   2HH2  ARG  33          1HH1      ARG  33  -8.513  -1.024  -5.064
  263    H    SER  34           H        SER  34 -18.179  -2.555  -4.804
  264    HA   SER  34           HA       SER  34 -19.435  -0.200  -5.894
  265   1HB   SER  34          2HB       SER  34 -19.832  -1.055  -8.118
  266   2HB   SER  34          1HB       SER  34 -18.095  -1.080  -7.811
  267    HG   SER  34           HG       SER  34 -19.344  -3.054  -8.708
  268    H    GLY  35           H        GLY  35 -21.400  -1.703  -7.409
  269   1HA   GLY  35          2HA       GLY  35 -22.647  -3.817  -6.289
  270   2HA   GLY  35          1HA       GLY  35 -23.056  -2.517  -5.181
  271    H    GLU  36           H        GLU  36 -25.247  -3.308  -5.988
  272    HA   GLU  36           HA       GLU  36 -26.368  -1.335  -7.642
  273   1HB   GLU  36          2HB       GLU  36 -25.129  -2.957  -9.287
  274   2HB   GLU  36          1HB       GLU  36 -26.518  -3.997  -9.009
  275   1HG   GLU  36          2HG       GLU  36 -28.007  -2.433  -9.930
  276   2HG   GLU  36          1HG       GLU  36 -26.809  -1.141  -9.874
  277    H    CYS  37           H        CYS  37 -28.688  -1.703  -8.064
  278    HA   CYS  37           HA       CYS  37 -29.868  -3.118  -5.816
  279   1HB   CYS  37          2HB       CYS  37 -31.091  -1.283  -7.885
  280   2HB   CYS  37          1HB       CYS  37 -31.962  -1.990  -6.532
  281    H    PHE  38           H        PHE  38 -31.182  -4.866  -5.937
  282    HA   PHE  38           HA       PHE  38 -32.092  -5.834  -8.523
  283   1HB   PHE  38          2HB       PHE  38 -30.048  -7.227  -6.833
  284   2HB   PHE  38          1HB       PHE  38 -31.180  -8.178  -7.789
  285    HD1  PHE  38           HD2      PHE  38 -31.343  -7.569 -10.303
  286    HD2  PHE  38           HD1      PHE  38 -28.084  -6.482  -7.793
  287    HE1  PHE  38           HE2      PHE  38 -29.916  -7.284 -12.286
  288    HE2  PHE  38           HE1      PHE  38 -26.650  -6.193  -9.773
  289    HZ   PHE  38           HZ       PHE  38 -27.566  -6.595 -12.024
  290    H    TYR  39           H        TYR  39 -33.851  -7.243  -8.400
  291    HA   TYR  39           HA       TYR  39 -35.291  -7.147  -5.885
  292   1HB   TYR  39          2HB       TYR  39 -36.032  -8.027  -8.668
  293   2HB   TYR  39          1HB       TYR  39 -37.098  -8.292  -7.295
  294    HD1  TYR  39           HD1      TYR  39 -37.956  -6.276  -6.017
  295    HD2  TYR  39           HD2      TYR  39 -35.945  -5.943  -9.755
  296    HE1  TYR  39           HE1      TYR  39 -38.895  -4.028  -6.315
  297    HE2  TYR  39           HE2      TYR  39 -36.875  -3.687 -10.058
  298    HH   TYR  39           HH       TYR  39 -39.117  -2.292  -7.684
  299    H    ASP  40           H        ASP  40 -36.380  -9.077  -5.031
  300    HA   ASP  40           HA       ASP  40 -34.568 -11.367  -5.071
  301   1HB   ASP  40          2HB       ASP  40 -36.318 -12.063  -3.177
  302   2HB   ASP  40          1HB       ASP  40 -34.989 -10.953  -2.855
  303    H    GLU  41           H        GLU  41 -36.110 -13.473  -4.455
  304    HA   GLU  41           HA       GLU  41 -37.209 -14.190  -6.947
  305   1HB   GLU  41          2HB       GLU  41 -37.195 -15.492  -4.243
  306   2HB   GLU  41          1HB       GLU  41 -38.099 -16.198  -5.576
  307   1HG   GLU  41          2HG       GLU  41 -36.145 -16.548  -6.848
  308   2HG   GLU  41          1HG       GLU  41 -35.179 -15.533  -5.776
  309    H    LYS  42           H        LYS  42 -38.468 -11.899  -5.393
  310    HA   LYS  42           HA       LYS  42 -41.232 -12.692  -5.924
  311   1HB   LYS  42          2HB       LYS  42 -40.124 -11.742  -3.321
  312   2HB   LYS  42          1HB       LYS  42 -41.735 -11.206  -3.785
  313   1HG   LYS  42          2HG       LYS  42 -42.520 -13.464  -3.913
  314   2HG   LYS  42          1HG       LYS  42 -40.889 -14.092  -3.670
  315   1HD   LYS  42          2HD       LYS  42 -41.772 -14.294  -1.556
  316   2HD   LYS  42          1HD       LYS  42 -41.001 -12.712  -1.457
  317   1HE   LYS  42          2HE       LYS  42 -43.030 -12.141  -0.605
  318   2HE   LYS  42          1HE       LYS  42 -43.413 -11.945  -2.314
  319   1HZ   LYS  42          1HZ       LYS  42 -43.798 -14.600  -1.175
  320   2HZ   LYS  42          3HZ       LYS  42 -44.881 -13.398  -0.679
  321   3HZ   LYS  42          2HZ       LYS  42 -44.723 -13.768  -2.321
  322    H    ARG  43           H        ARG  43 -39.684  -9.881  -4.456
  323    HA   ARG  43           HA       ARG  43 -39.220  -8.105  -6.328
  324   1HB   ARG  43          2HB       ARG  43 -42.135  -8.579  -6.369
  325   2HB   ARG  43          1HB       ARG  43 -41.673  -6.890  -6.314
  326   1HG   ARG  43          2HG       ARG  43 -40.503  -7.000  -8.327
  327   2HG   ARG  43          1HG       ARG  43 -40.472  -8.761  -8.323
  328   1HD   ARG  43          2HD       ARG  43 -42.147  -7.496  -9.854
  329   2HD   ARG  43          1HD       ARG  43 -42.677  -8.930  -8.974
  330    HE   ARG  43           HE       ARG  43 -44.057  -7.610  -7.702
  331   1HH1  ARG  43          1HH2      ARG  43 -41.835  -5.599  -9.475
  332   2HH1  ARG  43          2HH2      ARG  43 -42.650  -4.123  -9.080
  333   1HH2  ARG  43          2HH1      ARG  43 -45.144  -5.673  -7.178
  334   2HH2  ARG  43          1HH1      ARG  43 -44.536  -4.166  -7.775
  335    H    ASN  44           H        ASN  44 -38.314  -8.219  -3.913
  336    HA   ASN  44           HA       ASN  44 -39.686  -6.153  -2.327
  337   1HB   ASN  44          2HB       ASN  44 -38.602  -8.686  -1.613
  338   2HB   ASN  44          1HB       ASN  44 -37.631  -7.461  -0.805
  339   1HD2  ASN  44          2HD2      ASN  44 -41.074  -8.527   0.757
  340   2HD2  ASN  44          1HD2      ASN  44 -40.151  -9.429  -0.392
  341    H    LEU  45           H        LEU  45 -37.234  -6.377  -4.454
  342    HA   LEU  45           HA       LEU  45 -35.416  -5.106  -4.957
  343   1HB   LEU  45          2HB       LEU  45 -37.382  -3.400  -3.919
  344   2HB   LEU  45          1HB       LEU  45 -35.883  -2.876  -3.176
  345    HG   LEU  45           HG       LEU  45 -36.256  -3.209  -6.150
  346   1HD1  LEU  45          1HD1      LEU  45 -37.692  -1.429  -5.038
  347   2HD1  LEU  45          3HD1      LEU  45 -36.179  -0.605  -4.661
  348   3HD1  LEU  45          2HD1      LEU  45 -36.627  -0.902  -6.342
  349   1HD2  LEU  45          3HD2      LEU  45 -33.945  -3.392  -5.292
  350   2HD2  LEU  45          2HD2      LEU  45 -34.201  -1.996  -6.338
  351   3HD2  LEU  45          1HD2      LEU  45 -34.113  -1.782  -4.590
  352    H    GLN  46           H        GLN  46 -33.316  -4.991  -4.343
  353    HA   GLN  46           HA       GLN  46 -32.629  -4.868  -1.517
  354   1HB   GLN  46          2HB       GLN  46 -32.054  -7.225  -3.299
  355   2HB   GLN  46          1HB       GLN  46 -31.053  -6.869  -1.899
  356   1HG   GLN  46          2HG       GLN  46 -33.433  -6.818  -0.704
  357   2HG   GLN  46          1HG       GLN  46 -33.828  -7.896  -2.041
  358   1HE2  GLN  46          2HE2      GLN  46 -31.995  -9.329   1.147
  359   2HE2  GLN  46          1HE2      GLN  46 -32.824  -7.816   1.060
  360    H    CYS  47           H        CYS  47 -30.152  -4.881  -1.270
  361    HA   CYS  47           HA       CYS  47 -28.948  -3.427  -3.540
  362   1HB   CYS  47          2HB       CYS  47 -29.393  -2.556  -0.836
  363   2HB   CYS  47          1HB       CYS  47 -27.664  -2.579  -1.160
  364    H    ILE  48           H        ILE  48 -27.510  -4.699  -4.443
  365    HA   ILE  48           HA       ILE  48 -25.971  -6.618  -2.902
  366    HB   ILE  48           HB       ILE  48 -26.007  -6.027  -5.867
  367   1HG1  ILE  48          2HG1      ILE  48 -27.348  -8.078  -4.120
  368   2HG1  ILE  48          1HG1      ILE  48 -28.073  -7.014  -5.321
  369   1HG2  ILE  48          2HG2      ILE  48 -23.827  -6.922  -5.149
  370   2HG2  ILE  48          1HG2      ILE  48 -24.649  -8.299  -4.415
  371   3HG2  ILE  48          3HG2      ILE  48 -24.707  -8.062  -6.160
  372   1HD1  ILE  48          2HD1      ILE  48 -26.897  -8.315  -7.082
  373   2HD1  ILE  48          1HD1      ILE  48 -26.367  -9.436  -5.829
  374   3HD1  ILE  48          3HD1      ILE  48 -28.087  -9.241  -6.167
  375    H    CYS  49           H        CYS  49 -23.926  -6.316  -2.223
  376    HA   CYS  49           HA       CYS  49 -22.505  -3.896  -3.147
  377   1HB   CYS  49          2HB       CYS  49 -22.330  -5.399  -0.532
  378   2HB   CYS  49          1HB       CYS  49 -21.235  -4.100  -0.990
  379    H    ASP  50           H        ASP  50 -20.853  -4.234  -4.460
  380    HA   ASP  50           HA       ASP  50 -19.559  -6.864  -4.506
  381   1HB   ASP  50          2HB       ASP  50 -20.445  -5.376  -6.568
  382   2HB   ASP  50          1HB       ASP  50 -18.794  -4.775  -6.479
  383    H    TYR  51           H        TYR  51 -17.290  -7.082  -4.507
  384    HA   TYR  51           HA       TYR  51 -15.808  -4.824  -3.321
  385   1HB   TYR  51          2HB       TYR  51 -15.835  -7.715  -2.463
  386   2HB   TYR  51          1HB       TYR  51 -14.616  -6.560  -1.928
  387    HD1  TYR  51           HD1      TYR  51 -18.334  -6.895  -2.103
  388    HD2  TYR  51           HD2      TYR  51 -14.971  -5.503   0.096
  389    HE1  TYR  51           HE1      TYR  51 -19.827  -6.225  -0.274
  390    HE2  TYR  51           HE2      TYR  51 -16.452  -4.822   1.937
  391    HH   TYR  51           HH       TYR  51 -19.204  -5.852   2.560
  392    H    CYS  52           H        CYS  52 -16.070  -6.727  -5.916
  393    HA   CYS  52           HA       CYS  52 -13.232  -6.469  -6.568
  394   1HB   CYS  52          2HB       CYS  52 -14.776  -9.027  -7.048
  395   2HB   CYS  52          1HB       CYS  52 -13.084  -8.730  -7.434
  396    H    GLU  53           H        GLU  53 -14.928  -8.477  -8.681
  397    HA   GLU  53           HA       GLU  53 -15.112  -8.026 -10.990
  398   1HB   GLU  53          2HB       GLU  53 -17.463  -7.146  -9.383
  399   2HB   GLU  53          1HB       GLU  53 -17.494  -6.864 -11.120
  400   1HG   GLU  53          2HG       GLU  53 -18.587  -8.949 -10.558
  401   2HG   GLU  53          1HG       GLU  53 -17.139  -9.238 -11.522
  402    H    TYR  54           HN       TYR  54 -13.852  -6.684 -12.108
  403    HA   TYR  54           HA       TYR  54 -13.062  -4.805 -13.117
  404   1HB   TYR  54          2HB       TYR  54 -15.766  -3.704 -12.318
  405   2HB   TYR  54          1HB       TYR  54 -14.635  -2.892 -13.394
  406    HD1  TYR  54           HD1      TYR  54 -14.113  -3.883 -15.609
  407    HD2  TYR  54           HD2      TYR  54 -17.150  -5.482 -13.095
  408    HE1  TYR  54           HE1      TYR  54 -15.060  -5.086 -17.530
  409    HE2  TYR  54           HE2      TYR  54 -18.106  -6.691 -15.012
  410    HH   TYR  54           HH       TYR  54 -17.108  -6.089 -18.248
   
  No H/Q in entry =         410
  Start of MODEL   21
    1    HN   PCA   1           HN       PCA   1 -19.366 -16.462   5.384
    2    HA   PCA   1           HA       PCA   1 -20.972 -17.223   3.544
    3   1HB   PCA   1          1HB       PCA   1 -22.890 -16.037   3.361
    4   2HB   PCA   1          2HB       PCA   1 -21.980 -14.559   2.968
    5   1HG   PCA   1          1HG       PCA   1 -23.170 -15.343   5.506
    6   2HG   PCA   1          2HG       PCA   1 -22.359 -13.821   5.094
    7    H    ASP   2           H        ASP   2 -20.047 -17.292   1.575
    8    HA   ASP   2           HA       ASP   2 -17.724 -15.689   1.071
    9   1HB   ASP   2          2HB       ASP   2 -19.027 -17.526  -0.928
   10   2HB   ASP   2          1HB       ASP   2 -17.322 -17.110  -0.768
   11    H    LYS   3           H        LYS   3 -18.571 -15.986  -1.933
   12    HA   LYS   3           HA       LYS   3 -19.394 -14.648  -3.578
   13   1HB   LYS   3          2HB       LYS   3 -21.213 -13.376  -1.541
   14   2HB   LYS   3          1HB       LYS   3 -21.468 -13.547  -3.272
   15   1HG   LYS   3          2HG       LYS   3 -21.404 -16.095  -2.758
   16   2HG   LYS   3          1HG       LYS   3 -21.750 -15.578  -1.108
   17   1HD   LYS   3          2HD       LYS   3 -23.609 -14.145  -2.303
   18   2HD   LYS   3          1HD       LYS   3 -23.430 -15.370  -3.559
   19   1HE   LYS   3          2HE       LYS   3 -25.071 -16.317  -2.264
   20   2HE   LYS   3          1HE       LYS   3 -23.628 -17.029  -1.543
   21   1HZ   LYS   3          1HZ       LYS   3 -24.917 -14.569  -0.504
   22   2HZ   LYS   3          3HZ       LYS   3 -25.286 -16.120   0.065
   23   3HZ   LYS   3          2HZ       LYS   3 -23.722 -15.503   0.244
   24    H    CYS   4           H        CYS   4 -18.387 -12.961  -4.444
   25    HA   CYS   4           HA       CYS   4 -16.919 -11.138  -2.799
   26   1HB   CYS   4          2HB       CYS   4 -17.046 -11.849  -5.625
   27   2HB   CYS   4          1HB       CYS   4 -16.850 -10.116  -5.394
   28    H    LYS   5           H        LYS   5 -20.012 -11.200  -2.960
   29    HA   LYS   5           HA       LYS   5 -20.300  -8.292  -2.942
   30   1HB   LYS   5          2HB       LYS   5 -22.600  -9.712  -4.143
   31   2HB   LYS   5          1HB       LYS   5 -21.887  -8.160  -4.564
   32   1HG   LYS   5          2HG       LYS   5 -21.548  -9.531  -6.427
   33   2HG   LYS   5          1HG       LYS   5 -19.989  -9.459  -5.609
   34   1HD   LYS   5          2HD       LYS   5 -19.954 -11.685  -5.324
   35   2HD   LYS   5          1HD       LYS   5 -21.560 -11.677  -4.597
   36   1HE   LYS   5          2HE       LYS   5 -21.410 -13.080  -6.628
   37   2HE   LYS   5          1HE       LYS   5 -22.601 -11.787  -6.761
   38   1HZ   LYS   5          2HZ       LYS   5 -19.988 -11.036  -7.696
   39   2HZ   LYS   5          1HZ       LYS   5 -20.657 -12.322  -8.567
   40   3HZ   LYS   5          3HZ       LYS   5 -21.495 -10.858  -8.442
   41    H    LYS   6           H        LYS   6 -20.980  -7.812  -0.975
   42    HA   LYS   6           HA       LYS   6 -22.618  -9.741   0.502
   43   1HB   LYS   6          2HB       LYS   6 -21.325  -7.232   1.560
   44   2HB   LYS   6          1HB       LYS   6 -21.966  -8.584   2.487
   45   1HG   LYS   6          2HG       LYS   6 -20.228 -10.031   1.438
   46   2HG   LYS   6          1HG       LYS   6 -19.532  -8.578   0.720
   47   1HD   LYS   6          2HD       LYS   6 -18.630  -7.883   2.681
   48   2HD   LYS   6          1HD       LYS   6 -20.008  -8.437   3.631
   49   1HE   LYS   6          2HE       LYS   6 -17.781 -10.145   2.525
   50   2HE   LYS   6          1HE       LYS   6 -18.032  -9.708   4.216
   51   1HZ   LYS   6          2HZ       LYS   6 -20.321 -10.950   2.997
   52   2HZ   LYS   6          1HZ       LYS   6 -18.958 -11.952   3.025
   53   3HZ   LYS   6          3HZ       LYS   6 -19.558 -11.296   4.467
   54    H    VAL   7           H        VAL   7 -24.720  -9.466   0.810
   55    HA   VAL   7           HA       VAL   7 -26.104  -7.225  -0.232
   56    HB   VAL   7           HB       VAL   7 -27.991  -8.428   0.069
   57   1HG1  VAL   7          2HG1      VAL   7 -26.088 -10.051  -0.568
   58   2HG1  VAL   7          1HG1      VAL   7 -26.334 -10.705   1.054
   59   3HG1  VAL   7          3HG1      VAL   7 -27.662 -10.703  -0.107
   60   1HG2  VAL   7          3HG2      VAL   7 -27.016  -9.043   2.850
   61   2HG2  VAL   7          2HG2      VAL   7 -28.341  -7.983   2.366
   62   3HG2  VAL   7          1HG2      VAL   7 -28.494  -9.729   2.174
   63    H    TYR   8           H        TYR   8 -27.181  -5.563   0.814
   64    HA   TYR   8           HA       TYR   8 -25.948  -4.697   3.278
   65   1HB   TYR   8          2HB       TYR   8 -26.570  -3.254   1.233
   66   2HB   TYR   8          1HB       TYR   8 -28.211  -3.314   1.852
   67    HD1  TYR   8           HD1      TYR   8 -27.274  -3.166   4.873
   68    HD2  TYR   8           HD2      TYR   8 -26.378  -0.883   1.391
   69    HE1  TYR   8           HE1      TYR   8 -26.801  -1.230   6.277
   70    HE2  TYR   8           HE2      TYR   8 -25.894   1.069   2.802
   71    HH   TYR   8           HH       TYR   8 -26.852   1.655   5.515
   72    H    GLU   9           H        GLU   9 -26.718  -6.315   4.685
   73    HA   GLU   9           HA       GLU   9 -29.459  -6.870   5.101
   74   1HB   GLU   9          2HB       GLU   9 -27.976  -7.372   7.503
   75   2HB   GLU   9          1HB       GLU   9 -28.554  -8.531   6.313
   76   1HG   GLU   9          2HG       GLU   9 -26.489  -8.065   4.984
   77   2HG   GLU   9          1HG       GLU   9 -25.906  -7.111   6.348
   78    H    ASN  10           H        ASN  10 -30.902  -5.480   5.831
   79    HA   ASN  10           HA       ASN  10 -31.799  -4.364   7.783
   80   1HB   ASN  10          2HB       ASN  10 -29.631  -4.154   8.959
   81   2HB   ASN  10          1HB       ASN  10 -29.162  -2.878   7.832
   82   1HD2  ASN  10          2HD2      ASN  10 -31.501  -2.085  10.998
   83   2HD2  ASN  10          1HD2      ASN  10 -30.890  -3.665  10.659
   84    H    TYR  11           H        TYR  11 -29.931  -3.085   5.116
   85    HA   TYR  11           HA       TYR  11 -30.793  -0.559   4.790
   86   1HB   TYR  11          2HB       TYR  11 -29.367  -1.943   3.223
   87   2HB   TYR  11          1HB       TYR  11 -30.862  -2.536   2.514
   88    HD1  TYR  11           HD1      TYR  11 -28.854   0.524   3.113
   89    HD2  TYR  11           HD2      TYR  11 -32.014  -1.264   0.893
   90    HE1  TYR  11           HE1      TYR  11 -28.885   2.466   1.605
   91    HE2  TYR  11           HE2      TYR  11 -32.056   0.676  -0.619
   92    HH   TYR  11           HH       TYR  11 -29.653   2.827  -0.917
   93    HA   PRO  12           HA       PRO  12 -35.264  -0.434   4.778
   94   1HB   PRO  12          2HB       PRO  12 -34.913   1.376   2.429
   95   2HB   PRO  12          1HB       PRO  12 -35.891   1.594   3.884
   96   1HG   PRO  12          2HG       PRO  12 -33.565   2.864   3.573
   97   2HG   PRO  12          1HG       PRO  12 -34.089   2.266   5.157
   98   1HD   PRO  12          2HD       PRO  12 -31.988   1.221   3.339
   99   2HD   PRO  12          1HD       PRO  12 -32.112   1.139   5.107
  100    H    VAL  13           H        VAL  13 -36.648   0.249   2.323
  101    HA   VAL  13           HA       VAL  13 -36.112  -1.611   0.277
  102    HB   VAL  13           HB       VAL  13 -38.656  -2.569   1.181
  103   1HG1  VAL  13          3HG1      VAL  13 -35.980  -3.930   0.966
  104   2HG1  VAL  13          2HG1      VAL  13 -37.532  -4.751   1.133
  105   3HG1  VAL  13          1HG1      VAL  13 -37.195  -3.786  -0.305
  106   1HG2  VAL  13          3HG2      VAL  13 -37.677  -1.825   3.441
  107   2HG2  VAL  13          2HG2      VAL  13 -38.325  -3.454   3.297
  108   3HG2  VAL  13          1HG2      VAL  13 -36.586  -3.197   3.247
  109    H    SER  14           H        SER  14 -36.351   0.550  -0.569
  110    HA   SER  14           HA       SER  14 -38.814   0.928  -1.884
  111   1HB   SER  14          2HB       SER  14 -39.370   3.170  -0.874
  112   2HB   SER  14          1HB       SER  14 -39.650   1.801   0.202
  113    HG   SER  14           HG       SER  14 -38.337   3.851   0.858
  114    H    LYS  15           H        LYS  15 -36.316   3.097  -0.549
  115    HA   LYS  15           HA       LYS  15 -35.954   4.498  -2.993
  116   1HB   LYS  15          2HB       LYS  15 -34.050   4.320  -0.648
  117   2HB   LYS  15          1HB       LYS  15 -34.073   5.565  -1.889
  118   1HG   LYS  15          2HG       LYS  15 -35.981   5.116   0.366
  119   2HG   LYS  15          1HG       LYS  15 -35.104   6.581  -0.083
  120   1HD   LYS  15          2HD       LYS  15 -36.489   6.628  -2.189
  121   2HD   LYS  15          1HD       LYS  15 -37.461   5.334  -1.486
  122   1HE   LYS  15          2HE       LYS  15 -38.337   6.701   0.154
  123   2HE   LYS  15          1HE       LYS  15 -36.989   7.835   0.077
  124   1HZ   LYS  15          3HZ       LYS  15 -38.386   7.720  -2.397
  125   2HZ   LYS  15          2HZ       LYS  15 -39.437   8.111  -1.130
  126   3HZ   LYS  15          1HZ       LYS  15 -38.062   9.054  -1.409
  127    H    CYS  16           H        CYS  16 -35.430   3.187  -4.687
  128    HA   CYS  16           HA       CYS  16 -32.731   2.379  -4.968
  129   1HB   CYS  16          2HB       CYS  16 -34.619   0.401  -3.940
  130   2HB   CYS  16          1HB       CYS  16 -33.823  -0.138  -5.414
  131    H    GLN  17           H        GLN  17 -32.417   2.996  -6.963
  132    HA   GLN  17           HA       GLN  17 -33.118   1.870  -9.270
  133   1HB   GLN  17          2HB       GLN  17 -35.427   3.414  -8.235
  134   2HB   GLN  17          1HB       GLN  17 -35.033   3.708  -9.919
  135   1HG   GLN  17          2HG       GLN  17 -35.149   0.870  -9.119
  136   2HG   GLN  17          1HG       GLN  17 -36.678   1.746  -9.088
  137   1HE2  GLN  17          2HE2      GLN  17 -36.836   0.610 -12.418
  138   2HE2  GLN  17          1HE2      GLN  17 -37.291   0.271 -10.787
  139    H    LEU  18           H        LEU  18 -33.309   5.115  -7.860
  140    HA   LEU  18           HA       LEU  18 -32.164   6.429 -10.107
  141   1HB   LEU  18          2HB       LEU  18 -32.122   7.510  -7.315
  142   2HB   LEU  18          1HB       LEU  18 -32.237   8.375  -8.834
  143    HG   LEU  18           HG       LEU  18 -34.392   6.713  -7.536
  144   1HD1  LEU  18          3HD1      LEU  18 -33.948   9.649  -7.920
  145   2HD1  LEU  18          2HD1      LEU  18 -35.574   8.992  -7.737
  146   3HD1  LEU  18          1HD1      LEU  18 -34.383   8.770  -6.455
  147   1HD2  LEU  18          1HD2      LEU  18 -34.350   8.091 -10.216
  148   2HD2  LEU  18          3HD2      LEU  18 -34.506   6.362  -9.912
  149   3HD2  LEU  18          2HD2      LEU  18 -35.800   7.461  -9.435
  150    H    ALA  19           H        ALA  19 -30.469   4.457  -9.809
  151    HA   ALA  19           HA       ALA  19 -28.359   3.845  -8.712
  152   1HB   ALA  19          2HB       ALA  19 -28.526   4.356 -11.257
  153   2HB   ALA  19          1HB       ALA  19 -27.555   5.770 -10.844
  154   3HB   ALA  19          3HB       ALA  19 -26.945   4.150 -10.502
  155    H    ASN  20           H        ASN  20 -28.272   4.854  -6.643
  156    HA   ASN  20           HA       ASN  20 -26.205   6.818  -6.455
  157   1HB   ASN  20          2HB       ASN  20 -28.049   8.324  -6.931
  158   2HB   ASN  20          1HB       ASN  20 -29.012   7.598  -5.647
  159   1HD2  ASN  20          2HD2      ASN  20 -25.706   9.461  -4.194
  160   2HD2  ASN  20          1HD2      ASN  20 -25.589   8.198  -5.368
  161    H    GLN  21           H        GLN  21 -28.692   6.821  -4.048
  162    HA   GLN  21           HA       GLN  21 -27.358   6.412  -1.824
  163   1HB   GLN  21          2HB       GLN  21 -29.965   5.155  -2.625
  164   2HB   GLN  21          1HB       GLN  21 -29.291   4.887  -1.023
  165   1HG   GLN  21          2HG       GLN  21 -29.869   7.594  -2.197
  166   2HG   GLN  21          1HG       GLN  21 -30.946   6.716  -1.113
  167   1HE2  GLN  21          2HE2      GLN  21 -27.636   8.608   0.300
  168   2HE2  GLN  21          1HE2      GLN  21 -27.884   8.369  -1.392
  169    H    CYS  22           H        CYS  22 -28.791   3.429  -3.122
  170    HA   CYS  22           HA       CYS  22 -27.227   1.637  -1.764
  171   1HB   CYS  22          2HB       CYS  22 -29.236   1.252  -3.355
  172   2HB   CYS  22          1HB       CYS  22 -28.013   1.100  -4.612
  173    H    ASN  23           H        ASN  23 -26.649   2.457  -5.190
  174    HA   ASN  23           HA       ASN  23 -24.219   1.233  -5.527
  175   1HB   ASN  23          2HB       ASN  23 -25.763   2.748  -7.117
  176   2HB   ASN  23          1HB       ASN  23 -24.530   3.949  -6.738
  177   1HD2  ASN  23          2HD2      ASN  23 -22.109   2.585  -8.802
  178   2HD2  ASN  23          1HD2      ASN  23 -22.550   3.796  -7.653
  179    H    TYR  24           H        TYR  24 -24.443   4.754  -4.994
  180    HA   TYR  24           HA       TYR  24 -21.806   5.206  -4.353
  181   1HB   TYR  24          2HB       TYR  24 -22.843   7.219  -4.574
  182   2HB   TYR  24          1HB       TYR  24 -24.354   6.628  -3.902
  183    HD1  TYR  24           HD1      TYR  24 -20.900   7.569  -2.848
  184    HD2  TYR  24           HD2      TYR  24 -25.021   7.367  -1.810
  185    HE1  TYR  24           HE1      TYR  24 -20.425   8.759  -0.749
  186    HE2  TYR  24           HE2      TYR  24 -24.558   8.557   0.290
  187    HH   TYR  24           HH       TYR  24 -22.788   9.080   1.762
  188    H    ASP  25           H        ASP  25 -24.459   4.292  -2.161
  189    HA   ASP  25           HA       ASP  25 -23.149   4.539   0.256
  190   1HB   ASP  25          2HB       ASP  25 -25.257   2.606  -0.679
  191   2HB   ASP  25          1HB       ASP  25 -24.609   2.516   0.952
  192    H    CYS  26           H        CYS  26 -23.460   1.435  -1.510
  193    HA   CYS  26           HA       CYS  26 -21.594   0.046  -0.009
  194   1HB   CYS  26          2HB       CYS  26 -22.109  -0.272  -2.975
  195   2HB   CYS  26          1HB       CYS  26 -21.363  -1.467  -1.925
  196    H    LYS  27           H        LYS  27 -21.128   2.083  -2.845
  197    HA   LYS  27           HA       LYS  27 -18.420   1.613  -3.282
  198   1HB   LYS  27          2HB       LYS  27 -20.159   2.902  -4.698
  199   2HB   LYS  27          1HB       LYS  27 -19.665   4.300  -3.754
  200   1HG   LYS  27          2HG       LYS  27 -17.507   4.280  -4.626
  201   2HG   LYS  27          1HG       LYS  27 -17.643   2.608  -5.175
  202   1HD   LYS  27          2HD       LYS  27 -19.281   3.299  -6.859
  203   2HD   LYS  27          1HD       LYS  27 -19.141   4.971  -6.310
  204   1HE   LYS  27          2HE       LYS  27 -17.772   4.123  -8.379
  205   2HE   LYS  27          1HE       LYS  27 -17.051   5.237  -7.219
  206   1HZ   LYS  27          3HZ       LYS  27 -16.713   2.287  -7.156
  207   2HZ   LYS  27          2HZ       LYS  27 -15.585   3.370  -7.800
  208   3HZ   LYS  27          1HZ       LYS  27 -15.945   3.409  -6.148
  209    H    LEU  28           H        LEU  28 -19.607   2.760  -0.430
  210    HA   LEU  28           HA       LEU  28 -17.038   3.688   0.390
  211   1HB   LEU  28          2HB       LEU  28 -17.901   5.657  -0.860
  212   2HB   LEU  28          1HB       LEU  28 -19.211   5.772   0.301
  213    HG   LEU  28           HG       LEU  28 -16.606   5.704   1.613
  214   1HD1  LEU  28          2HD1      LEU  28 -15.890   6.807  -0.462
  215   2HD1  LEU  28          1HD1      LEU  28 -17.131   8.036  -0.221
  216   3HD1  LEU  28          3HD1      LEU  28 -15.807   7.879   0.934
  217   1HD2  LEU  28          2HD2      LEU  28 -18.782   6.374   2.629
  218   2HD2  LEU  28          1HD2      LEU  28 -17.485   7.548   2.850
  219   3HD2  LEU  28          3HD2      LEU  28 -18.737   7.833   1.640
  220    H    ASP  29           H        ASP  29 -20.514   3.786   1.201
  221    HA   ASP  29           HA       ASP  29 -20.130   4.035   3.985
  222   1HB   ASP  29          2HB       ASP  29 -22.432   3.114   2.288
  223   2HB   ASP  29          1HB       ASP  29 -22.508   2.969   4.039
  224    H    LYS  30           H        LYS  30 -19.208   1.584   2.030
  225    HA   LYS  30           HA       LYS  30 -19.023  -0.264   4.277
  226   1HB   LYS  30          2HB       LYS  30 -20.341  -0.902   1.645
  227   2HB   LYS  30          1HB       LYS  30 -19.636  -2.159   2.652
  228   1HG   LYS  30          2HG       LYS  30 -21.136  -1.098   4.514
  229   2HG   LYS  30          1HG       LYS  30 -22.041  -0.469   3.135
  230   1HD   LYS  30          2HD       LYS  30 -22.045  -2.875   2.268
  231   2HD   LYS  30          1HD       LYS  30 -21.525  -3.332   3.893
  232   1HE   LYS  30          2HE       LYS  30 -23.988  -1.693   3.327
  233   2HE   LYS  30          1HE       LYS  30 -24.002  -3.450   3.482
  234   1HZ   LYS  30          2HZ       LYS  30 -22.648  -2.248   5.669
  235   2HZ   LYS  30          1HZ       LYS  30 -24.205  -1.605   5.516
  236   3HZ   LYS  30          3HZ       LYS  30 -23.991  -3.275   5.678
  237    H    HIS  31           H        HIS  31 -17.464   1.469   2.137
  238    HA   HIS  31           HA       HIS  31 -15.448   1.394   1.083
  239   1HB   HIS  31          2HB       HIS  31 -14.540  -0.940   2.689
  240   2HB   HIS  31          1HB       HIS  31 -13.745   0.602   2.391
  241    HD1  HIS  31           HD1      HIS  31 -14.623  -1.087   5.165
  242    HD2  HIS  31           HD2      HIS  31 -15.858   2.631   3.778
  243    HE1  HIS  31           HE1      HIS  31 -15.455   0.144   7.194
  244    HE2  HIS  31           HE2      HIS  31 -16.276   2.359   6.317
  245    H    ALA  32           H        ALA  32 -17.541  -0.143  -0.114
  246    HA   ALA  32           HA       ALA  32 -16.309  -2.611  -1.017
  247   1HB   ALA  32          3HB       ALA  32 -18.857  -2.077  -0.537
  248   2HB   ALA  32          2HB       ALA  32 -18.825  -1.608  -2.236
  249   3HB   ALA  32          1HB       ALA  32 -18.368  -3.243  -1.763
  250    H    ARG  33           H        ARG  33 -16.830  -2.957  -3.544
  251    HA   ARG  33           HA       ARG  33 -15.171  -0.971  -4.895
  252   1HB   ARG  33          2HB       ARG  33 -14.851  -3.551  -4.952
  253   2HB   ARG  33          1HB       ARG  33 -16.160  -3.529  -6.123
  254   1HG   ARG  33          2HG       ARG  33 -13.658  -1.892  -6.421
  255   2HG   ARG  33          1HG       ARG  33 -13.828  -3.525  -7.062
  256   1HD   ARG  33          2HD       ARG  33 -14.598  -2.510  -8.919
  257   2HD   ARG  33          1HD       ARG  33 -16.092  -2.288  -8.011
  258    HE   ARG  33           HE       ARG  33 -15.561  -0.045  -7.717
  259   1HH1  ARG  33          1HH2      ARG  33 -12.968  -1.760  -9.288
  260   2HH1  ARG  33          2HH2      ARG  33 -12.143  -0.321  -9.787
  261   1HH2  ARG  33          2HH1      ARG  33 -14.482   1.860  -8.369
  262   2HH2  ARG  33          1HH1      ARG  33 -13.005   1.737  -9.266
  263    H    SER  34           H        SER  34 -18.389  -2.286  -4.889
  264    HA   SER  34           HA       SER  34 -19.554  -0.082  -6.164
  265   1HB   SER  34          2HB       SER  34 -20.192  -1.004  -8.318
  266   2HB   SER  34          1HB       SER  34 -18.435  -1.052  -8.178
  267    HG   SER  34           HG       SER  34 -19.586  -3.019  -8.958
  268    H    GLY  35           H        GLY  35 -21.778  -1.402  -7.370
  269   1HA   GLY  35          2HA       GLY  35 -23.046  -3.469  -6.349
  270   2HA   GLY  35          1HA       GLY  35 -23.027  -2.436  -4.930
  271    H    GLU  36           H        GLU  36 -25.416  -3.181  -5.718
  272    HA   GLU  36           HA       GLU  36 -26.772  -0.776  -6.220
  273   1HB   GLU  36          2HB       GLU  36 -25.806  -1.429  -8.542
  274   2HB   GLU  36          1HB       GLU  36 -27.050  -2.668  -8.539
  275   1HG   GLU  36          2HG       GLU  36 -28.561  -1.188  -9.242
  276   2HG   GLU  36          1HG       GLU  36 -28.260  -0.179  -7.831
  277    H    CYS  37           H        CYS  37 -29.184  -1.363  -6.930
  278    HA   CYS  37           HA       CYS  37 -30.030  -3.372  -5.017
  279   1HB   CYS  37          2HB       CYS  37 -31.085  -0.915  -5.965
  280   2HB   CYS  37          1HB       CYS  37 -32.243  -2.167  -6.395
  281    H    PHE  38           H        PHE  38 -29.888  -5.383  -5.774
  282    HA   PHE  38           HA       PHE  38 -30.691  -5.988  -8.517
  283   1HB   PHE  38          2HB       PHE  38 -29.093  -7.388  -6.417
  284   2HB   PHE  38          1HB       PHE  38 -29.872  -8.359  -7.663
  285    HD1  PHE  38           HD1      PHE  38 -27.507  -5.557  -7.128
  286    HD2  PHE  38           HD2      PHE  38 -28.942  -8.550  -9.792
  287    HE1  PHE  38           HE1      PHE  38 -25.647  -5.076  -8.666
  288    HE2  PHE  38           HE2      PHE  38 -27.086  -8.077 -11.333
  289    HZ   PHE  38           HZ       PHE  38 -25.435  -6.338 -10.771
  290    H    TYR  39           H        TYR  39 -32.195  -7.648  -9.017
  291    HA   TYR  39           HA       TYR  39 -34.310  -7.922  -7.010
  292   1HB   TYR  39          2HB       TYR  39 -34.275  -8.361  -9.999
  293   2HB   TYR  39          1HB       TYR  39 -35.650  -8.783  -8.982
  294    HD1  TYR  39           HD1      TYR  39 -33.430  -5.865  -9.714
  295    HD2  TYR  39           HD2      TYR  39 -37.334  -7.229  -8.720
  296    HE1  TYR  39           HE1      TYR  39 -34.276  -3.562  -9.898
  297    HE2  TYR  39           HE2      TYR  39 -38.191  -4.933  -8.905
  298    HH   TYR  39           HH       TYR  39 -37.277  -2.731 -10.317
  299    H    ASP  40           H        ASP  40 -35.567 -10.226  -7.908
  300    HA   ASP  40           HA       ASP  40 -33.539 -12.340  -7.620
  301   1HB   ASP  40          2HB       ASP  40 -34.719 -13.441  -5.897
  302   2HB   ASP  40          1HB       ASP  40 -34.697 -11.746  -5.420
  303    H    GLU  41           H        GLU  41 -35.000 -14.561  -7.683
  304    HA   GLU  41           HA       GLU  41 -35.761 -14.743 -10.386
  305   1HB   GLU  41          2HB       GLU  41 -36.051 -17.021 -10.033
  306   2HB   GLU  41          1HB       GLU  41 -34.887 -16.585  -8.790
  307   1HG   GLU  41          2HG       GLU  41 -37.124 -16.231  -7.389
  308   2HG   GLU  41          1HG       GLU  41 -37.711 -17.433  -8.535
  309    H    LYS  42           H        LYS  42 -37.318 -12.811  -8.837
  310    HA   LYS  42           HA       LYS  42 -39.939 -13.665  -9.767
  311   1HB   LYS  42          2HB       LYS  42 -39.939 -14.306  -7.405
  312   2HB   LYS  42          1HB       LYS  42 -39.415 -12.693  -6.948
  313   1HG   LYS  42          2HG       LYS  42 -41.730 -12.830  -6.500
  314   2HG   LYS  42          1HG       LYS  42 -41.537 -11.811  -7.927
  315   1HD   LYS  42          2HD       LYS  42 -41.906 -14.684  -8.491
  316   2HD   LYS  42          1HD       LYS  42 -43.290 -13.892  -7.740
  317   1HE   LYS  42          2HE       LYS  42 -43.600 -12.451  -9.517
  318   2HE   LYS  42          1HE       LYS  42 -41.931 -12.597 -10.063
  319   1HZ   LYS  42          2HZ       LYS  42 -43.372 -15.078 -10.154
  320   2HZ   LYS  42          1HZ       LYS  42 -44.062 -13.885 -11.133
  321   3HZ   LYS  42          3HZ       LYS  42 -42.443 -14.325 -11.350
  322    H    ARG  43           H        ARG  43 -39.032 -11.051  -7.616
  323    HA   ARG  43           HA       ARG  43 -38.528  -9.021  -9.412
  324   1HB   ARG  43          2HB       ARG  43 -40.531  -7.838  -9.730
  325   2HB   ARG  43          1HB       ARG  43 -40.914  -9.495 -10.134
  326   1HG   ARG  43          2HG       ARG  43 -42.568  -9.533  -8.639
  327   2HG   ARG  43          1HG       ARG  43 -41.474  -9.053  -7.347
  328   1HD   ARG  43          2HD       ARG  43 -43.310  -7.461  -7.599
  329   2HD   ARG  43          1HD       ARG  43 -41.753  -6.714  -7.965
  330    HE   ARG  43           HE       ARG  43 -43.353  -7.751 -10.178
  331   1HH1  ARG  43          1HH2      ARG  43 -42.071  -5.024  -8.427
  332   2HH1  ARG  43          2HH2      ARG  43 -42.398  -3.894  -9.698
  333   1HH2  ARG  43          2HH1      ARG  43 -43.786  -6.271 -11.851
  334   2HH2  ARG  43          1HH1      ARG  43 -43.374  -4.601 -11.643
  335    H    ASN  44           H        ASN  44 -37.666  -9.858  -6.876
  336    HA   ASN  44           HA       ASN  44 -38.703  -7.935  -4.956
  337   1HB   ASN  44          2HB       ASN  44 -36.516 -10.006  -4.659
  338   2HB   ASN  44          1HB       ASN  44 -37.202  -9.044  -3.353
  339   1HD2  ASN  44          2HD2      ASN  44 -40.345 -11.018  -4.649
  340   2HD2  ASN  44          1HD2      ASN  44 -39.706  -9.564  -5.328
  341    H    LEU  45           H        LEU  45 -36.475  -7.303  -3.468
  342    HA   LEU  45           HA       LEU  45 -34.498  -6.139  -5.240
  343   1HB   LEU  45          2HB       LEU  45 -36.690  -4.599  -4.022
  344   2HB   LEU  45          1HB       LEU  45 -35.101  -3.892  -3.807
  345    HG   LEU  45           HG       LEU  45 -36.377  -4.593  -6.452
  346   1HD1  LEU  45          3HD1      LEU  45 -35.869  -1.944  -5.099
  347   2HD1  LEU  45          2HD1      LEU  45 -36.420  -2.144  -6.763
  348   3HD1  LEU  45          1HD1      LEU  45 -37.437  -2.682  -5.426
  349   1HD2  LEU  45          3HD2      LEU  45 -33.630  -3.809  -5.673
  350   2HD2  LEU  45          2HD2      LEU  45 -34.196  -4.760  -7.047
  351   3HD2  LEU  45          1HD2      LEU  45 -34.309  -3.000  -7.085
  352    H    GLN  46           H        GLN  46 -32.563  -5.964  -4.308
  353    HA   GLN  46           HA       GLN  46 -32.307  -5.715  -1.428
  354   1HB   GLN  46          2HB       GLN  46 -31.704  -8.203  -2.917
  355   2HB   GLN  46          1HB       GLN  46 -30.467  -7.683  -1.778
  356   1HG   GLN  46          2HG       GLN  46 -33.318  -7.819  -0.907
  357   2HG   GLN  46          1HG       GLN  46 -32.356  -9.293  -1.017
  358   1HE2  GLN  46          2HE2      GLN  46 -31.968  -8.224   2.415
  359   2HE2  GLN  46          1HE2      GLN  46 -33.164  -8.917   1.379
  360    H    CYS  47           H        CYS  47 -30.491  -4.626  -0.840
  361    HA   CYS  47           HA       CYS  47 -28.989  -3.379  -2.954
  362   1HB   CYS  47          2HB       CYS  47 -29.494  -2.906  -0.122
  363   2HB   CYS  47          1HB       CYS  47 -27.815  -2.601  -0.555
  364    H    ILE  48           H        ILE  48 -27.649  -4.831  -3.926
  365    HA   ILE  48           HA       ILE  48 -25.888  -6.488  -2.323
  366    HB   ILE  48           HB       ILE  48 -26.311  -6.285  -5.292
  367   1HG1  ILE  48          2HG1      ILE  48 -26.862  -8.462  -3.266
  368   2HG1  ILE  48          1HG1      ILE  48 -28.064  -7.446  -4.052
  369   1HG2  ILE  48          1HG2      ILE  48 -24.279  -7.881  -3.752
  370   2HG2  ILE  48          3HG2      ILE  48 -24.783  -8.300  -5.390
  371   3HG2  ILE  48          2HG2      ILE  48 -24.003  -6.751  -5.078
  372   1HD1  ILE  48          3HD1      ILE  48 -26.912  -8.482  -6.219
  373   2HD1  ILE  48          2HD1      ILE  48 -26.594  -9.787  -5.076
  374   3HD1  ILE  48          1HD1      ILE  48 -28.251  -9.259  -5.376
  375    H    CYS  49           H        CYS  49 -24.048  -5.708  -1.572
  376    HA   CYS  49           HA       CYS  49 -22.716  -3.487  -2.942
  377   1HB   CYS  49          2HB       CYS  49 -22.213  -4.810  -0.262
  378   2HB   CYS  49          1HB       CYS  49 -21.242  -3.492  -0.904
  379    H    ASP  50           H        ASP  50 -21.258  -4.005  -4.464
  380    HA   ASP  50           HA       ASP  50 -20.035  -6.636  -4.487
  381   1HB   ASP  50          2HB       ASP  50 -20.795  -5.923  -6.613
  382   2HB   ASP  50          1HB       ASP  50 -20.050  -4.338  -6.432
  383    H    TYR  51           H        TYR  51 -17.880  -7.095  -4.319
  384    HA   TYR  51           HA       TYR  51 -16.142  -4.910  -3.351
  385   1HB   TYR  51          2HB       TYR  51 -16.594  -7.685  -2.378
  386   2HB   TYR  51          1HB       TYR  51 -14.953  -7.058  -2.275
  387    HD1  TYR  51           HD1      TYR  51 -18.458  -6.375  -1.251
  388    HD2  TYR  51           HD2      TYR  51 -14.334  -5.602  -0.542
  389    HE1  TYR  51           HE1      TYR  51 -19.040  -5.221   0.841
  390    HE2  TYR  51           HE2      TYR  51 -14.905  -4.445   1.552
  391    HH   TYR  51           HH       TYR  51 -17.666  -3.243   2.299
  392    H    CYS  52           H        CYS  52 -16.446  -7.652  -5.495
  393    HA   CYS  52           HA       CYS  52 -13.946  -6.871  -6.784
  394   1HB   CYS  52          2HB       CYS  52 -14.062  -9.754  -6.781
  395   2HB   CYS  52          1HB       CYS  52 -12.788  -8.700  -6.178
  396    H    GLU  53           H        GLU  53 -15.264  -6.058  -8.435
  397    HA   GLU  53           HA       GLU  53 -17.188  -7.640  -9.813
  398   1HB   GLU  53          2HB       GLU  53 -17.323  -5.841 -11.376
  399   2HB   GLU  53          1HB       GLU  53 -17.104  -5.124  -9.786
  400   1HG   GLU  53          2HG       GLU  53 -15.283  -5.163 -12.122
  401   2HG   GLU  53          1HG       GLU  53 -15.613  -3.878 -10.963
  402    H    TYR  54           HN       TYR  54 -15.042  -9.248  -9.593
  403    HA   TYR  54           HA       TYR  54 -13.314 -10.326 -10.662
  404   1HB   TYR  54          2HB       TYR  54 -14.517 -11.888 -11.732
  405   2HB   TYR  54          1HB       TYR  54 -15.888 -10.789 -11.725
  406    HD1  TYR  54           HD1      TYR  54 -16.317  -9.348 -13.681
  407    HD2  TYR  54           HD2      TYR  54 -13.323 -12.365 -13.733
  408    HE1  TYR  54           HE1      TYR  54 -16.278  -9.258 -16.145
  409    HE2  TYR  54           HE2      TYR  54 -13.270 -12.287 -16.192
  410    HH   TYR  54           HH       TYR  54 -15.235 -11.462 -18.051
   
  No H/Q in entry =         410
  Start of MODEL   22
    1    HN   PCA   1           HN       PCA   1 -13.151 -14.649  -5.864
    2    HA   PCA   1           HA       PCA   1 -14.222 -16.899  -6.442
    3   1HB   PCA   1          1HB       PCA   1 -12.877 -18.706  -6.230
    4   2HB   PCA   1          2HB       PCA   1 -12.722 -18.424  -4.481
    5   1HG   PCA   1          1HG       PCA   1 -10.833 -17.785  -6.600
    6   2HG   PCA   1          2HG       PCA   1 -10.630 -17.585  -4.850
    7    H    ASP   2           H        ASP   2 -12.854 -16.133  -3.242
    8    HA   ASP   2           HA       ASP   2 -15.279 -16.895  -1.892
    9   1HB   ASP   2          2HB       ASP   2 -12.594 -15.879  -1.068
   10   2HB   ASP   2          1HB       ASP   2 -13.929 -15.694   0.064
   11    H    LYS   3           H        LYS   3 -15.574 -14.995   0.050
   12    HA   LYS   3           HA       LYS   3 -17.461 -13.338  -0.516
   13   1HB   LYS   3          2HB       LYS   3 -16.942 -12.508   1.500
   14   2HB   LYS   3          1HB       LYS   3 -15.386 -13.305   1.388
   15   1HG   LYS   3          2HG       LYS   3 -14.868 -11.107   1.904
   16   2HG   LYS   3          1HG       LYS   3 -14.581 -11.203   0.171
   17   1HD   LYS   3          2HD       LYS   3 -16.473  -9.939  -0.331
   18   2HD   LYS   3          1HD       LYS   3 -17.243 -10.295   1.214
   19   1HE   LYS   3          2HE       LYS   3 -14.934  -8.441   0.677
   20   2HE   LYS   3          1HE       LYS   3 -16.537  -8.027   1.285
   21   1HZ   LYS   3          2HZ       LYS   3 -15.510  -9.885   3.049
   22   2HZ   LYS   3          1HZ       LYS   3 -14.231  -8.826   2.727
   23   3HZ   LYS   3          3HZ       LYS   3 -15.700  -8.226   3.314
   24    H    CYS   4           H        CYS   4 -18.019 -11.577  -1.649
   25    HA   CYS   4           HA       CYS   4 -16.272  -9.671  -2.745
   26   1HB   CYS   4          2HB       CYS   4 -16.843 -12.058  -4.423
   27   2HB   CYS   4          1HB       CYS   4 -16.912 -10.492  -5.225
   28    H    LYS   5           H        LYS   5 -19.343 -11.204  -2.532
   29    HA   LYS   5           HA       LYS   5 -20.666  -8.682  -3.232
   30   1HB   LYS   5          2HB       LYS   5 -21.694 -11.385  -4.104
   31   2HB   LYS   5          1HB       LYS   5 -22.366  -9.813  -4.512
   32   1HG   LYS   5          2HG       LYS   5 -19.603 -10.664  -5.327
   33   2HG   LYS   5          1HG       LYS   5 -21.033 -10.989  -6.305
   34   1HD   LYS   5          2HD       LYS   5 -21.153  -8.246  -5.622
   35   2HD   LYS   5          1HD       LYS   5 -19.486  -8.562  -6.095
   36   1HE   LYS   5          2HE       LYS   5 -21.964  -9.158  -7.708
   37   2HE   LYS   5          1HE       LYS   5 -20.782  -7.889  -8.024
   38   1HZ   LYS   5          1HZ       LYS   5 -19.181  -9.977  -8.027
   39   2HZ   LYS   5          3HZ       LYS   5 -20.602 -10.759  -8.511
   40   3HZ   LYS   5          2HZ       LYS   5 -19.996  -9.468  -9.419
   41    H    LYS   6           H        LYS   6 -22.116  -8.078  -1.711
   42    HA   LYS   6           HA       LYS   6 -23.456 -10.113  -0.109
   43   1HB   LYS   6          2HB       LYS   6 -21.767  -7.945   1.149
   44   2HB   LYS   6          1HB       LYS   6 -22.823  -9.048   2.021
   45   1HG   LYS   6          2HG       LYS   6 -21.463 -10.936   1.308
   46   2HG   LYS   6          1HG       LYS   6 -20.412  -9.844   0.401
   47   1HD   LYS   6          2HD       LYS   6 -19.495  -8.928   2.316
   48   2HD   LYS   6          1HD       LYS   6 -20.881  -9.367   3.315
   49   1HE   LYS   6          2HE       LYS   6 -19.290 -11.568   2.108
   50   2HE   LYS   6          1HE       LYS   6 -18.570 -10.675   3.446
   51   1HZ   LYS   6          3HZ       LYS   6 -21.317 -11.709   3.680
   52   2HZ   LYS   6          2HZ       LYS   6 -20.003 -12.744   3.932
   53   3HZ   LYS   6          1HZ       LYS   6 -20.195 -11.370   4.900
   54    H    VAL   7           H        VAL   7 -25.516  -9.589   0.187
   55    HA   VAL   7           HA       VAL   7 -26.604  -7.160  -0.745
   56    HB   VAL   7           HB       VAL   7 -28.704  -7.953  -0.131
   57   1HG1  VAL   7          1HG1      VAL   7 -26.931 -10.358  -0.513
   58   2HG1  VAL   7          3HG1      VAL   7 -28.691 -10.399  -0.607
   59   3HG1  VAL   7          2HG1      VAL   7 -27.768  -9.434  -1.757
   60   1HG2  VAL   7          1HG2      VAL   7 -27.299  -9.417   2.081
   61   2HG2  VAL   7          3HG2      VAL   7 -28.569  -8.199   2.191
   62   3HG2  VAL   7          2HG2      VAL   7 -28.948  -9.816   1.598
   63    H    TYR   8           H        TYR   8 -27.792  -5.563   0.512
   64    HA   TYR   8           HA       TYR   8 -26.236  -4.733   2.792
   65   1HB   TYR   8          2HB       TYR   8 -27.033  -3.174   0.985
   66   2HB   TYR   8          1HB       TYR   8 -28.663  -3.382   1.617
   67    HD1  TYR   8           HD1      TYR   8 -29.104  -2.722   4.022
   68    HD2  TYR   8           HD2      TYR   8 -25.577  -1.593   1.933
   69    HE1  TYR   8           HE1      TYR   8 -28.713  -0.930   5.663
   70    HE2  TYR   8           HE2      TYR   8 -25.176   0.204   3.562
   71    HH   TYR   8           HH       TYR   8 -27.151   0.546   6.446
   72    H    GLU   9           H        GLU   9 -29.050  -6.478   2.286
   73    HA   GLU   9           HA       GLU   9 -30.944  -6.870   3.601
   74   1HB   GLU   9          2HB       GLU   9 -30.104  -8.109   5.692
   75   2HB   GLU   9          1HB       GLU   9 -29.656  -8.738   4.114
   76   1HG   GLU   9          2HG       GLU   9 -27.458  -8.094   4.327
   77   2HG   GLU   9          1HG       GLU   9 -27.831  -6.841   5.511
   78    H    ASN  10           H        ASN  10 -31.581  -4.659   3.964
   79    HA   ASN  10           HA       ASN  10 -32.373  -4.044   6.472
   80   1HB   ASN  10          2HB       ASN  10 -29.532  -3.414   6.153
   81   2HB   ASN  10          1HB       ASN  10 -30.469  -2.015   6.657
   82   1HD2  ASN  10          2HD2      ASN  10 -29.247  -4.120   9.547
   83   2HD2  ASN  10          1HD2      ASN  10 -28.468  -3.567   8.108
   84    H    TYR  11           H        TYR  11 -30.924  -2.595   3.607
   85    HA   TYR  11           HA       TYR  11 -32.116  -0.117   3.599
   86   1HB   TYR  11          2HB       TYR  11 -30.610  -1.641   1.814
   87   2HB   TYR  11          1HB       TYR  11 -32.084  -1.282   0.924
   88    HD1  TYR  11           HD2      TYR  11 -29.191   0.209   2.664
   89    HD2  TYR  11           HD1      TYR  11 -32.527   0.921   0.124
   90    HE1  TYR  11           HE2      TYR  11 -28.315   2.449   2.155
   91    HE2  TYR  11           HE1      TYR  11 -31.660   3.164  -0.395
   92    HH   TYR  11           HH       TYR  11 -29.456   4.333  -0.388
   93    HA   PRO  12           HA       PRO  12 -36.382  -1.620   3.149
   94   1HB   PRO  12          2HB       PRO  12 -37.637   0.555   4.087
   95   2HB   PRO  12          1HB       PRO  12 -36.805  -0.572   5.164
   96   1HG   PRO  12          2HG       PRO  12 -35.921   2.097   4.161
   97   2HG   PRO  12          1HG       PRO  12 -35.710   1.374   5.764
   98   1HD   PRO  12          2HD       PRO  12 -33.773   1.442   3.780
   99   2HD   PRO  12          1HD       PRO  12 -33.788   0.313   5.149
  100    H    VAL  13           H        VAL  13 -35.612  -1.346   0.790
  101    HA   VAL  13           HA       VAL  13 -35.631  -0.133  -1.241
  102    HB   VAL  13           HB       VAL  13 -38.577  -0.510  -0.821
  103   1HG1  VAL  13          3HG1      VAL  13 -37.632   0.362  -2.978
  104   2HG1  VAL  13          2HG1      VAL  13 -36.838  -1.200  -3.177
  105   3HG1  VAL  13          1HG1      VAL  13 -38.598  -1.107  -3.122
  106   1HG2  VAL  13          2HG2      VAL  13 -37.501  -2.434   0.221
  107   2HG2  VAL  13          1HG2      VAL  13 -38.299  -2.899  -1.281
  108   3HG2  VAL  13          3HG2      VAL  13 -36.547  -2.703  -1.237
  109    H    SER  14           H        SER  14 -35.385   1.880   0.616
  110    HA   SER  14           HA       SER  14 -37.480   3.781   0.557
  111   1HB   SER  14          2HB       SER  14 -36.078   5.140   1.786
  112   2HB   SER  14          1HB       SER  14 -35.342   3.568   2.098
  113    HG   SER  14           HG       SER  14 -34.394   5.715   0.637
  114    H    LYS  15           H        LYS  15 -35.458   2.756  -1.900
  115    HA   LYS  15           HA       LYS  15 -36.382   4.725  -3.704
  116   1HB   LYS  15          2HB       LYS  15 -34.683   6.061  -2.442
  117   2HB   LYS  15          1HB       LYS  15 -33.450   4.949  -3.007
  118   1HG   LYS  15          2HG       LYS  15 -33.325   6.797  -4.439
  119   2HG   LYS  15          1HG       LYS  15 -34.167   5.550  -5.359
  120   1HD   LYS  15          2HD       LYS  15 -36.166   6.666  -5.308
  121   2HD   LYS  15          1HD       LYS  15 -35.807   7.472  -3.781
  122   1HE   LYS  15          2HE       LYS  15 -34.414   9.058  -4.827
  123   2HE   LYS  15          1HE       LYS  15 -34.335   8.120  -6.317
  124   1HZ   LYS  15          2HZ       LYS  15 -36.789   9.420  -5.266
  125   2HZ   LYS  15          1HZ       LYS  15 -35.809  10.054  -6.489
  126   3HZ   LYS  15          3HZ       LYS  15 -36.639   8.602  -6.739
  127    H    CYS  16           H        CYS  16 -33.096   3.496  -3.854
  128    HA   CYS  16           HA       CYS  16 -32.173   2.407  -5.699
  129   1HB   CYS  16          2HB       CYS  16 -33.383   0.717  -3.689
  130   2HB   CYS  16          1HB       CYS  16 -33.334  -0.119  -5.237
  131    H    GLN  17           H        GLN  17 -32.889   3.110  -7.652
  132    HA   GLN  17           HA       GLN  17 -34.954   1.488  -8.935
  133   1HB   GLN  17          2HB       GLN  17 -34.990   4.478  -9.265
  134   2HB   GLN  17          1HB       GLN  17 -36.217   3.312  -9.741
  135   1HG   GLN  17          2HG       GLN  17 -36.541   2.834  -7.288
  136   2HG   GLN  17          1HG       GLN  17 -35.526   4.241  -6.970
  137   1HE2  GLN  17          2HE2      GLN  17 -38.106   6.227  -8.885
  138   2HE2  GLN  17          1HE2      GLN  17 -36.519   5.682  -9.298
  139    H    LEU  18           H        LEU  18 -31.919   2.629  -8.974
  140    HA   LEU  18           HA       LEU  18 -31.488   1.955 -11.718
  141   1HB   LEU  18          2HB       LEU  18 -31.511   4.813 -10.853
  142   2HB   LEU  18          1HB       LEU  18 -30.270   4.321 -11.987
  143    HG   LEU  18           HG       LEU  18 -33.254   4.286 -12.401
  144   1HD1  LEU  18          1HD1      LEU  18 -31.998   6.421 -12.678
  145   2HD1  LEU  18          3HD1      LEU  18 -31.068   5.644 -13.959
  146   3HD1  LEU  18          2HD1      LEU  18 -32.809   5.857 -14.138
  147   1HD2  LEU  18          2HD2      LEU  18 -31.095   2.820 -13.829
  148   2HD2  LEU  18          1HD2      LEU  18 -32.778   2.368 -13.551
  149   3HD2  LEU  18          3HD2      LEU  18 -32.376   3.554 -14.794
  150    H    ALA  19           H        ALA  19 -29.653   4.296  -9.814
  151    HA   ALA  19           HA       ALA  19 -27.918   2.577  -8.492
  152   1HB   ALA  19          1HB       ALA  19 -27.168   3.131 -11.330
  153   2HB   ALA  19          3HB       ALA  19 -25.907   2.959 -10.110
  154   3HB   ALA  19          2HB       ALA  19 -27.036   1.635 -10.405
  155    H    ASN  20           H        ASN  20 -27.485   3.970  -6.904
  156    HA   ASN  20           HA       ASN  20 -25.750   6.136  -7.231
  157   1HB   ASN  20          2HB       ASN  20 -27.451   7.389  -8.288
  158   2HB   ASN  20          1HB       ASN  20 -28.678   6.834  -7.152
  159   1HD2  ASN  20          2HD2      ASN  20 -25.988   9.323  -5.397
  160   2HD2  ASN  20          1HD2      ASN  20 -25.489   7.874  -6.194
  161    H    GLN  21           H        GLN  21 -28.635   6.247  -5.200
  162    HA   GLN  21           HA       GLN  21 -27.416   6.832  -2.839
  163   1HB   GLN  21          2HB       GLN  21 -29.950   6.521  -3.490
  164   2HB   GLN  21          1HB       GLN  21 -29.722   4.931  -2.775
  165   1HG   GLN  21          2HG       GLN  21 -30.509   6.172  -1.004
  166   2HG   GLN  21          1HG       GLN  21 -28.764   6.231  -0.761
  167   1HE2  GLN  21          2HE2      GLN  21 -28.467   9.671  -1.352
  168   2HE2  GLN  21          1HE2      GLN  21 -27.646   8.153  -1.281
  169    H    CYS  22           H        CYS  22 -28.645   3.528  -3.389
  170    HA   CYS  22           HA       CYS  22 -27.085   2.377  -1.381
  171   1HB   CYS  22          2HB       CYS  22 -28.801   1.402  -3.558
  172   2HB   CYS  22          1HB       CYS  22 -27.553   0.264  -3.059
  173    H    ASN  23           H        ASN  23 -26.422   2.747  -4.845
  174    HA   ASN  23           HA       ASN  23 -24.158   1.152  -5.053
  175   1HB   ASN  23          2HB       ASN  23 -25.206   2.250  -6.991
  176   2HB   ASN  23          1HB       ASN  23 -24.669   3.819  -6.399
  177   1HD2  ASN  23          2HD2      ASN  23 -22.372   2.326  -9.003
  178   2HD2  ASN  23          1HD2      ASN  23 -24.093   2.444  -8.910
  179    H    TYR  24           H        TYR  24 -24.119   4.682  -4.620
  180    HA   TYR  24           HA       TYR  24 -21.459   4.946  -3.903
  181   1HB   TYR  24          2HB       TYR  24 -22.100   7.100  -3.954
  182   2HB   TYR  24          1HB       TYR  24 -23.785   6.605  -3.962
  183    HD1  TYR  24           HD1      TYR  24 -21.014   6.752  -1.482
  184    HD2  TYR  24           HD2      TYR  24 -25.086   7.612  -2.351
  185    HE1  TYR  24           HE1      TYR  24 -21.278   7.703   0.755
  186    HE2  TYR  24           HE2      TYR  24 -25.365   8.574  -0.104
  187    HH   TYR  24           HH       TYR  24 -23.576   8.031   2.370
  188    H    ASP  25           H        ASP  25 -24.274   4.259  -1.852
  189    HA   ASP  25           HA       ASP  25 -23.092   4.446   0.633
  190   1HB   ASP  25          2HB       ASP  25 -25.107   2.366  -0.243
  191   2HB   ASP  25          1HB       ASP  25 -24.743   2.799   1.421
  192    H    CYS  26           H        CYS  26 -23.368   1.411  -1.276
  193    HA   CYS  26           HA       CYS  26 -21.659  -0.081   0.358
  194   1HB   CYS  26          2HB       CYS  26 -21.887  -0.325  -2.655
  195   2HB   CYS  26          1HB       CYS  26 -21.333  -1.569  -1.544
  196    H    LYS  27           H        LYS  27 -20.987   1.829  -2.534
  197    HA   LYS  27           HA       LYS  27 -18.196   1.500  -2.545
  198   1HB   LYS  27          2HB       LYS  27 -20.181   2.819  -4.097
  199   2HB   LYS  27          1HB       LYS  27 -18.964   4.022  -3.718
  200   1HG   LYS  27          2HG       LYS  27 -17.879   1.456  -4.694
  201   2HG   LYS  27          1HG       LYS  27 -18.877   2.329  -5.849
  202   1HD   LYS  27          2HD       LYS  27 -16.603   3.001  -6.158
  203   2HD   LYS  27          1HD       LYS  27 -17.493   4.348  -5.450
  204   1HE   LYS  27          2HE       LYS  27 -16.484   2.887  -3.272
  205   2HE   LYS  27          1HE       LYS  27 -15.168   2.963  -4.440
  206   1HZ   LYS  27          3HZ       LYS  27 -16.474   5.479  -4.198
  207   2HZ   LYS  27          2HZ       LYS  27 -15.927   4.940  -2.690
  208   3HZ   LYS  27          1HZ       LYS  27 -14.840   5.091  -3.978
  209    H    LEU  28           H        LEU  28 -19.564   2.561   0.063
  210    HA   LEU  28           HA       LEU  28 -17.359   4.246   0.773
  211   1HB   LEU  28          2HB       LEU  28 -18.781   5.825  -0.485
  212   2HB   LEU  28          1HB       LEU  28 -20.086   5.528   0.645
  213    HG   LEU  28           HG       LEU  28 -18.723   7.663   0.962
  214   1HD1  LEU  28          1HD1      LEU  28 -20.200   6.416   2.699
  215   2HD1  LEU  28          3HD1      LEU  28 -18.656   5.999   3.443
  216   3HD1  LEU  28          2HD1      LEU  28 -19.107   7.689   3.238
  217   1HD2  LEU  28          1HD2      LEU  28 -16.540   6.389   0.625
  218   2HD2  LEU  28          3HD2      LEU  28 -16.597   7.569   1.935
  219   3HD2  LEU  28          2HD2      LEU  28 -16.741   5.847   2.290
  220    H    ASP  29           H        ASP  29 -20.733   3.602   1.739
  221    HA   ASP  29           HA       ASP  29 -20.210   3.811   4.514
  222   1HB   ASP  29          2HB       ASP  29 -22.476   2.746   2.867
  223   2HB   ASP  29          1HB       ASP  29 -22.453   2.460   4.604
  224    H    LYS  30           H        LYS  30 -19.429   1.413   2.284
  225    HA   LYS  30           HA       LYS  30 -18.790  -0.448   4.458
  226   1HB   LYS  30          2HB       LYS  30 -20.312  -1.117   1.942
  227   2HB   LYS  30          1HB       LYS  30 -19.458  -2.338   2.875
  228   1HG   LYS  30          2HG       LYS  30 -20.861  -1.339   4.860
  229   2HG   LYS  30          1HG       LYS  30 -21.916  -0.808   3.549
  230   1HD   LYS  30          2HD       LYS  30 -21.830  -3.220   2.725
  231   2HD   LYS  30          1HD       LYS  30 -21.127  -3.612   4.296
  232   1HE   LYS  30          2HE       LYS  30 -23.871  -2.626   3.636
  233   2HE   LYS  30          1HE       LYS  30 -23.386  -3.987   4.647
  234   1HZ   LYS  30          1HZ       LYS  30 -22.410  -2.223   6.174
  235   2HZ   LYS  30          3HZ       LYS  30 -23.336  -1.106   5.303
  236   3HZ   LYS  30          2HZ       LYS  30 -24.095  -2.364   6.138
  237    H    HIS  31           H        HIS  31 -17.262   1.455   2.778
  238    HA   HIS  31           HA       HIS  31 -15.478   1.512   1.308
  239   1HB   HIS  31          2HB       HIS  31 -13.843  -0.475   2.418
  240   2HB   HIS  31          1HB       HIS  31 -13.942   1.203   2.934
  241    HD1  HIS  31           HD1      HIS  31 -13.882  -1.904   4.425
  242    HD2  HIS  31           HD2      HIS  31 -16.498   1.303   4.769
  243    HE1  HIS  31           HE1      HIS  31 -15.033  -2.212   6.639
  244    HE2  HIS  31           HE2      HIS  31 -16.544  -0.208   6.866
  245    H    ALA  32           H        ALA  32 -17.537  -0.049   0.225
  246    HA   ALA  32           HA       ALA  32 -16.396  -2.508  -0.780
  247   1HB   ALA  32          3HB       ALA  32 -18.917  -1.870  -0.265
  248   2HB   ALA  32          2HB       ALA  32 -18.879  -1.361  -1.953
  249   3HB   ALA  32          1HB       ALA  32 -18.495  -3.027  -1.523
  250    H    ARG  33           H        ARG  33 -16.779  -2.825  -3.295
  251    HA   ARG  33           HA       ARG  33 -15.162  -0.761  -4.579
  252   1HB   ARG  33          2HB       ARG  33 -14.425  -3.068  -4.849
  253   2HB   ARG  33          1HB       ARG  33 -15.989  -3.515  -5.518
  254   1HG   ARG  33          2HG       ARG  33 -15.588  -2.457  -7.527
  255   2HG   ARG  33          1HG       ARG  33 -14.381  -1.373  -6.835
  256   1HD   ARG  33          2HD       ARG  33 -13.970  -4.338  -7.080
  257   2HD   ARG  33          1HD       ARG  33 -13.510  -3.205  -8.346
  258    HE   ARG  33           HE       ARG  33 -12.375  -2.319  -5.961
  259   1HH1  ARG  33          1HH2      ARG  33 -12.138  -5.034  -8.128
  260   2HH1  ARG  33          2HH2      ARG  33 -10.474  -5.346  -7.764
  261   1HH2  ARG  33          2HH1      ARG  33 -10.181  -2.719  -5.475
  262   2HH2  ARG  33          1HH1      ARG  33  -9.360  -4.028  -6.256
  263    H    SER  34           H        SER  34 -18.369  -2.074  -4.602
  264    HA   SER  34           HA       SER  34 -19.527   0.099  -5.896
  265   1HB   SER  34          2HB       SER  34 -20.154  -1.136  -8.076
  266   2HB   SER  34          1HB       SER  34 -18.530  -0.458  -7.959
  267    HG   SER  34           HG       SER  34 -17.701  -2.417  -7.885
  268    H    GLY  35           H        GLY  35 -21.679  -1.087  -7.211
  269   1HA   GLY  35          2HA       GLY  35 -22.822  -3.305  -5.967
  270   2HA   GLY  35          1HA       GLY  35 -23.269  -1.895  -5.019
  271    H    GLU  36           H        GLU  36 -25.397  -2.972  -5.850
  272    HA   GLU  36           HA       GLU  36 -26.589  -1.159  -7.642
  273   1HB   GLU  36          2HB       GLU  36 -25.184  -2.744  -9.164
  274   2HB   GLU  36          1HB       GLU  36 -26.469  -3.902  -8.846
  275   1HG   GLU  36          2HG       GLU  36 -27.844  -1.615  -9.560
  276   2HG   GLU  36          1HG       GLU  36 -26.440  -1.591 -10.624
  277    H    CYS  37           H        CYS  37 -28.861  -1.588  -7.987
  278    HA   CYS  37           HA       CYS  37 -29.988  -3.109  -5.778
  279   1HB   CYS  37          2HB       CYS  37 -31.570  -1.475  -7.741
  280   2HB   CYS  37          1HB       CYS  37 -31.939  -1.838  -6.059
  281    H    PHE  38           H        PHE  38 -30.200  -5.232  -6.205
  282    HA   PHE  38           HA       PHE  38 -31.209  -6.085  -8.826
  283   1HB   PHE  38          2HB       PHE  38 -29.743  -7.429  -6.595
  284   2HB   PHE  38          1HB       PHE  38 -30.785  -8.419  -7.610
  285    HD1  PHE  38           HD2      PHE  38 -28.036  -5.920  -7.840
  286    HD2  PHE  38           HD1      PHE  38 -29.959  -9.298  -9.575
  287    HE1  PHE  38           HE2      PHE  38 -26.247  -6.070  -9.522
  288    HE2  PHE  38           HE1      PHE  38 -28.173  -9.453 -11.260
  289    HZ   PHE  38           HZ       PHE  38 -26.315  -7.837 -11.236
  290    H    TYR  39           H        TYR  39 -32.801  -8.018  -8.673
  291    HA   TYR  39           HA       TYR  39 -34.964  -7.170  -6.884
  292   1HB   TYR  39          2HB       TYR  39 -34.845  -8.348  -9.580
  293   2HB   TYR  39          1HB       TYR  39 -36.129  -8.983  -8.555
  294    HD1  TYR  39           HD1      TYR  39 -37.854  -7.451  -7.641
  295    HD2  TYR  39           HD2      TYR  39 -34.941  -6.137 -10.458
  296    HE1  TYR  39           HE1      TYR  39 -39.227  -5.470  -8.131
  297    HE2  TYR  39           HE2      TYR  39 -36.310  -4.152 -10.952
  298    HH   TYR  39           HH       TYR  39 -38.891  -3.598 -10.764
  299    H    ASP  40           H        ASP  40 -32.595  -9.498  -7.066
  300    HA   ASP  40           HA       ASP  40 -32.228 -11.511  -6.070
  301   1HB   ASP  40          2HB       ASP  40 -33.511 -11.666  -3.763
  302   2HB   ASP  40          1HB       ASP  40 -32.194 -10.523  -3.996
  303    H    GLU  41           H        GLU  41 -33.139 -13.585  -5.380
  304    HA   GLU  41           HA       GLU  41 -35.160 -14.441  -7.137
  305   1HB   GLU  41          2HB       GLU  41 -33.877 -15.756  -4.744
  306   2HB   GLU  41          1HB       GLU  41 -35.078 -16.567  -5.739
  307   1HG   GLU  41          2HG       GLU  41 -33.631 -16.308  -7.691
  308   2HG   GLU  41          1HG       GLU  41 -32.425 -15.509  -6.686
  309    H    LYS  42           H        LYS  42 -35.664 -12.439  -4.702
  310    HA   LYS  42           HA       LYS  42 -38.114 -13.753  -3.733
  311   1HB   LYS  42          2HB       LYS  42 -36.209 -11.812  -2.563
  312   2HB   LYS  42          1HB       LYS  42 -37.903 -11.544  -2.177
  313   1HG   LYS  42          2HG       LYS  42 -36.640 -14.238  -1.832
  314   2HG   LYS  42          1HG       LYS  42 -36.503 -12.990  -0.593
  315   1HD   LYS  42          2HD       LYS  42 -39.173 -13.766  -1.719
  316   2HD   LYS  42          1HD       LYS  42 -38.428 -14.698  -0.419
  317   1HE   LYS  42          2HE       LYS  42 -39.267 -11.811  -0.398
  318   2HE   LYS  42          1HE       LYS  42 -39.855 -13.126   0.618
  319   1HZ   LYS  42          3HZ       LYS  42 -37.199 -13.101   1.130
  320   2HZ   LYS  42          2HZ       LYS  42 -37.540 -11.454   0.946
  321   3HZ   LYS  42          1HZ       LYS  42 -38.383 -12.369   2.092
  322    H    ARG  43           H        ARG  43 -36.898 -11.155  -5.628
  323    HA   ARG  43           HA       ARG  43 -37.910  -9.635  -6.976
  324   1HB   ARG  43          2HB       ARG  43 -39.390 -11.654  -7.454
  325   2HB   ARG  43          1HB       ARG  43 -40.538 -10.962  -6.319
  326   1HG   ARG  43          2HG       ARG  43 -41.268  -9.438  -7.800
  327   2HG   ARG  43          1HG       ARG  43 -39.637  -9.064  -8.353
  328   1HD   ARG  43          2HD       ARG  43 -40.856  -9.971 -10.196
  329   2HD   ARG  43          1HD       ARG  43 -39.674 -11.172  -9.680
  330    HE   ARG  43           HE       ARG  43 -42.050 -11.733  -8.352
  331   1HH1  ARG  43          1HH2      ARG  43 -40.848 -11.632 -11.615
  332   2HH1  ARG  43          2HH2      ARG  43 -41.936 -12.848 -12.195
  333   1HH2  ARG  43          2HH1      ARG  43 -43.495 -13.340  -9.104
  334   2HH2  ARG  43          1HH1      ARG  43 -43.440 -13.820 -10.767
  335    H    ASN  44           H        ASN  44 -37.303  -8.678  -4.571
  336    HA   ASN  44           HA       ASN  44 -39.566  -6.895  -3.998
  337   1HB   ASN  44          2HB       ASN  44 -38.517  -8.913  -2.205
  338   2HB   ASN  44          1HB       ASN  44 -38.328  -7.313  -1.499
  339   1HD2  ASN  44          2HD2      ASN  44 -42.115  -8.615  -2.376
  340   2HD2  ASN  44          1HD2      ASN  44 -40.785  -9.059  -3.385
  341    H    LEU  45           H        LEU  45 -36.687  -6.942  -5.190
  342    HA   LEU  45           HA       LEU  45 -35.034  -5.421  -5.491
  343   1HB   LEU  45          2HB       LEU  45 -37.261  -3.940  -5.114
  344   2HB   LEU  45          1HB       LEU  45 -36.252  -3.320  -3.820
  345    HG   LEU  45           HG       LEU  45 -34.470  -2.849  -5.507
  346   1HD1  LEU  45          2HD1      LEU  45 -36.509  -4.058  -7.292
  347   2HD1  LEU  45          1HD1      LEU  45 -35.589  -2.688  -7.914
  348   3HD1  LEU  45          3HD1      LEU  45 -34.749  -4.136  -7.359
  349   1HD2  LEU  45          3HD2      LEU  45 -37.130  -1.532  -5.453
  350   2HD2  LEU  45          2HD2      LEU  45 -35.541  -0.901  -5.024
  351   3HD2  LEU  45          1HD2      LEU  45 -36.004  -1.039  -6.719
  352    H    GLN  46           H        GLN  46 -33.116  -5.526  -4.606
  353    HA   GLN  46           HA       GLN  46 -32.733  -4.899  -1.781
  354   1HB   GLN  46          2HB       GLN  46 -31.935  -7.497  -3.092
  355   2HB   GLN  46          1HB       GLN  46 -31.147  -6.907  -1.635
  356   1HG   GLN  46          2HG       GLN  46 -34.066  -6.934  -1.462
  357   2HG   GLN  46          1HG       GLN  46 -33.356  -8.528  -1.702
  358   1HE2  GLN  46          2HE2      GLN  46 -33.174  -8.619   1.784
  359   2HE2  GLN  46          1HE2      GLN  46 -33.994  -9.168   0.365
  360    H    CYS  47           H        CYS  47 -30.517  -4.358  -1.274
  361    HA   CYS  47           HA       CYS  47 -29.114  -3.284  -3.613
  362   1HB   CYS  47          2HB       CYS  47 -28.869  -2.661  -0.669
  363   2HB   CYS  47          1HB       CYS  47 -27.861  -1.936  -1.916
  364    H    ILE  48           H        ILE  48 -27.557  -4.475  -4.446
  365    HA   ILE  48           HA       ILE  48 -26.077  -6.364  -2.794
  366    HB   ILE  48           HB       ILE  48 -26.205  -5.923  -5.767
  367   1HG1  ILE  48          2HG1      ILE  48 -27.943  -7.253  -4.289
  368   2HG1  ILE  48          1HG1      ILE  48 -27.435  -7.870  -5.858
  369   1HG2  ILE  48          2HG2      ILE  48 -24.296  -7.609  -4.179
  370   2HG2  ILE  48          1HG2      ILE  48 -24.725  -8.010  -5.842
  371   3HG2  ILE  48          3HG2      ILE  48 -23.949  -6.469  -5.479
  372   1HD1  ILE  48          1HD1      ILE  48 -26.202  -8.702  -3.246
  373   2HD1  ILE  48          3HD1      ILE  48 -27.508  -9.571  -4.052
  374   3HD1  ILE  48          2HD1      ILE  48 -25.934  -9.418  -4.835
  375    H    CYS  49           H        CYS  49 -24.248  -5.760  -1.834
  376    HA   CYS  49           HA       CYS  49 -22.723  -3.497  -2.901
  377   1HB   CYS  49          2HB       CYS  49 -22.546  -4.988  -0.276
  378   2HB   CYS  49          1HB       CYS  49 -21.448  -3.698  -0.743
  379    H    ASP  50           H        ASP  50 -21.221  -3.984  -4.354
  380    HA   ASP  50           HA       ASP  50 -19.894  -6.593  -4.288
  381   1HB   ASP  50          2HB       ASP  50 -20.644  -6.105  -6.463
  382   2HB   ASP  50          1HB       ASP  50 -20.137  -4.423  -6.359
  383    H    TYR  51           H        TYR  51 -17.625  -6.793  -4.449
  384    HA   TYR  51           HA       TYR  51 -16.095  -4.472  -3.465
  385   1HB   TYR  51          2HB       TYR  51 -15.978  -7.320  -2.498
  386   2HB   TYR  51          1HB       TYR  51 -14.832  -6.071  -2.026
  387    HD1  TYR  51           HD2      TYR  51 -18.402  -7.056  -1.878
  388    HD2  TYR  51           HD1      TYR  51 -15.341  -4.587  -0.259
  389    HE1  TYR  51           HE2      TYR  51 -19.898  -6.426  -0.033
  390    HE2  TYR  51           HE1      TYR  51 -16.828  -3.950   1.594
  391    HH   TYR  51           HH       TYR  51 -20.098  -5.310   1.873
  392    H    CYS  52           H        CYS  52 -16.275  -7.269  -5.501
  393    HA   CYS  52           HA       CYS  52 -13.695  -6.541  -6.693
  394   1HB   CYS  52          2HB       CYS  52 -14.041  -9.421  -6.756
  395   2HB   CYS  52          1HB       CYS  52 -12.682  -8.475  -6.160
  396    H    GLU  53           H        GLU  53 -16.241  -9.003  -7.131
  397    HA   GLU  53           HA       GLU  53 -17.763  -9.216  -8.859
  398   1HB   GLU  53          2HB       GLU  53 -17.141  -6.680  -9.288
  399   2HB   GLU  53          1HB       GLU  53 -16.253  -7.359 -10.647
  400   1HG   GLU  53          2HG       GLU  53 -18.380  -8.492 -11.343
  401   2HG   GLU  53          1HG       GLU  53 -19.202  -7.547 -10.101
  402    H    TYR  54           HN       TYR  54 -14.439  -9.643  -8.881
  403    HA   TYR  54           HA       TYR  54 -14.677 -11.813 -10.791
  404   1HB   TYR  54          2HB       TYR  54 -12.708  -9.553 -11.202
  405   2HB   TYR  54          1HB       TYR  54 -12.689 -11.076 -12.086
  406    HD1  TYR  54           HD1      TYR  54 -15.237 -11.636 -13.017
  407    HD2  TYR  54           HD2      TYR  54 -13.531  -7.785 -12.419
  408    HE1  TYR  54           HE1      TYR  54 -16.788 -10.698 -14.678
  409    HE2  TYR  54           HE2      TYR  54 -15.078  -6.835 -14.077
  410    HH   TYR  54           HH       TYR  54 -16.541  -8.316 -16.289
   
  No H/Q in entry =         410
  Start of MODEL   23
    1    HN   PCA   1           HN       PCA   1 -19.844 -18.921  -6.602
    2    HA   PCA   1           HA       PCA   1 -18.767 -19.999  -4.532
    3   1HB   PCA   1          1HB       PCA   1 -17.131 -21.515  -4.931
    4   2HB   PCA   1          2HB       PCA   1 -16.170 -20.316  -5.829
    5   1HG   PCA   1          1HG       PCA   1 -17.966 -22.385  -6.859
    6   2HG   PCA   1          2HG       PCA   1 -16.852 -21.336  -7.756
    7    H    ASP   2           H        ASP   2 -17.104 -18.115  -7.047
    8    HA   ASP   2           HA       ASP   2 -15.937 -16.361  -5.040
    9   1HB   ASP   2          2HB       ASP   2 -14.698 -15.373  -6.857
   10   2HB   ASP   2          1HB       ASP   2 -14.622 -17.124  -7.027
   11    H    LYS   3           H        LYS   3 -18.218 -15.743  -4.410
   12    HA   LYS   3           HA       LYS   3 -19.300 -13.648  -6.182
   13   1HB   LYS   3          2HB       LYS   3 -20.562 -15.385  -4.076
   14   2HB   LYS   3          1HB       LYS   3 -21.323 -13.888  -4.590
   15   1HG   LYS   3          2HG       LYS   3 -20.572 -15.468  -6.888
   16   2HG   LYS   3          1HG       LYS   3 -21.565 -16.420  -5.784
   17   1HD   LYS   3          2HD       LYS   3 -22.336 -13.648  -6.674
   18   2HD   LYS   3          1HD       LYS   3 -22.789 -15.094  -7.578
   19   1HE   LYS   3          2HE       LYS   3 -23.545 -14.382  -4.750
   20   2HE   LYS   3          1HE       LYS   3 -24.614 -14.515  -6.145
   21   1HZ   LYS   3          1HZ       LYS   3 -24.112 -16.886  -6.240
   22   2HZ   LYS   3          3HZ       LYS   3 -23.118 -16.746  -4.878
   23   3HZ   LYS   3          2HZ       LYS   3 -24.779 -16.462  -4.746
   24    H    CYS   4           H        CYS   4 -18.028 -11.945  -5.597
   25    HA   CYS   4           HA       CYS   4 -17.612 -11.208  -2.853
   26   1HB   CYS   4          2HB       CYS   4 -16.478 -10.581  -5.355
   27   2HB   CYS   4          1HB       CYS   4 -17.066  -9.055  -4.699
   28    H    LYS   5           H        LYS   5 -20.340 -11.288  -4.368
   29    HA   LYS   5           HA       LYS   5 -21.281  -8.580  -3.782
   30   1HB   LYS   5          2HB       LYS   5 -23.061 -10.720  -4.867
   31   2HB   LYS   5          1HB       LYS   5 -23.064  -8.995  -5.183
   32   1HG   LYS   5          2HG       LYS   5 -20.907  -9.348  -6.443
   33   2HG   LYS   5          1HG       LYS   5 -21.245 -11.079  -6.325
   34   1HD   LYS   5          2HD       LYS   5 -23.309 -10.821  -7.509
   35   2HD   LYS   5          1HD       LYS   5 -23.170  -9.064  -7.468
   36   1HE   LYS   5          2HE       LYS   5 -21.050  -9.316  -8.801
   37   2HE   LYS   5          1HE       LYS   5 -21.471 -11.017  -9.003
   38   1HZ   LYS   5          1HZ       LYS   5 -23.663 -10.142  -9.907
   39   2HZ   LYS   5          3HZ       LYS   5 -22.896  -8.639 -10.028
   40   3HZ   LYS   5          2HZ       LYS   5 -22.301  -9.965 -10.894
   41    H    LYS   6           H        LYS   6 -22.210  -8.154  -1.872
   42    HA   LYS   6           HA       LYS   6 -23.744 -10.279  -0.546
   43   1HB   LYS   6          2HB       LYS   6 -22.318  -8.602   1.378
   44   2HB   LYS   6          1HB       LYS   6 -22.440 -10.354   1.288
   45   1HG   LYS   6          2HG       LYS   6 -20.713 -10.153  -0.614
   46   2HG   LYS   6          1HG       LYS   6 -20.427  -8.538   0.030
   47   1HD   LYS   6          2HD       LYS   6 -20.139 -11.163   1.473
   48   2HD   LYS   6          1HD       LYS   6 -18.853 -10.051   1.008
   49   1HE   LYS   6          2HE       LYS   6 -19.110  -9.500   3.221
   50   2HE   LYS   6          1HE       LYS   6 -20.216  -8.353   2.467
   51   1HZ   LYS   6          2HZ       LYS   6 -21.755 -10.553   2.886
   52   2HZ   LYS   6          1HZ       LYS   6 -20.776 -10.514   4.264
   53   3HZ   LYS   6          3HZ       LYS   6 -21.725  -9.171   3.861
   54    H    VAL   7           H        VAL   7 -25.679  -9.641   0.047
   55    HA   VAL   7           HA       VAL   7 -26.646  -7.041  -0.410
   56    HB   VAL   7           HB       VAL   7 -28.671  -7.980  -0.131
   57   1HG1  VAL   7          3HG1      VAL   7 -27.260  -9.845  -1.069
   58   2HG1  VAL   7          2HG1      VAL   7 -27.248 -10.538   0.553
   59   3HG1  VAL   7          1HG1      VAL   7 -28.774 -10.333  -0.308
   60   1HG2  VAL   7          2HG2      VAL   7 -27.703  -9.013   2.535
   61   2HG2  VAL   7          1HG2      VAL   7 -28.762  -7.635   2.235
   62   3HG2  VAL   7          3HG2      VAL   7 -29.331  -9.273   1.913
   63    H    TYR   8           H        TYR   8 -27.346  -5.429   1.012
   64    HA   TYR   8           HA       TYR   8 -25.621  -4.745   3.055
   65   1HB   TYR   8          2HB       TYR   8 -27.438  -3.370   1.792
   66   2HB   TYR   8          1HB       TYR   8 -28.490  -3.839   3.109
   67    HD1  TYR   8           HD2      TYR   8 -26.515  -3.677   5.397
   68    HD2  TYR   8           HD1      TYR   8 -27.215  -1.082   2.097
   69    HE1  TYR   8           HE2      TYR   8 -25.650  -1.790   6.705
   70    HE2  TYR   8           HE1      TYR   8 -26.350   0.814   3.400
   71    HH   TYR   8           HH       TYR   8 -24.564   0.498   6.145
   72    H    GLU   9           H        GLU   9 -28.820  -4.829   4.351
   73    HA   GLU   9           HA       GLU   9 -28.884  -7.275   5.616
   74   1HB   GLU   9          2HB       GLU   9 -26.959  -5.462   6.769
   75   2HB   GLU   9          1HB       GLU   9 -28.216  -5.811   7.948
   76   1HG   GLU   9          2HG       GLU   9 -26.892  -8.013   6.425
   77   2HG   GLU   9          1HG       GLU   9 -26.132  -7.312   7.852
   78    H    ASN  10           H        ASN  10 -29.904  -4.061   5.251
   79    HA   ASN  10           HA       ASN  10 -32.560  -4.586   5.989
   80   1HB   ASN  10          2HB       ASN  10 -31.267  -4.429   8.264
   81   2HB   ASN  10          1HB       ASN  10 -31.300  -2.700   7.951
   82   1HD2  ASN  10          2HD2      ASN  10 -34.208  -3.227   9.980
   83   2HD2  ASN  10          1HD2      ASN  10 -32.489  -3.139  10.107
   84    H    TYR  11           H        TYR  11 -30.666  -3.153   4.085
   85    HA   TYR  11           HA       TYR  11 -31.022  -0.406   4.160
   86   1HB   TYR  11          2HB       TYR  11 -29.508  -1.630   2.609
   87   2HB   TYR  11          1HB       TYR  11 -30.919  -2.124   1.678
   88    HD1  TYR  11           HD2      TYR  11 -29.429   1.023   3.046
   89    HD2  TYR  11           HD1      TYR  11 -31.406  -0.887  -0.200
   90    HE1  TYR  11           HE2      TYR  11 -29.295   3.105   1.748
   91    HE2  TYR  11           HE1      TYR  11 -31.276   1.190  -1.511
   92    HH   TYR  11           HH       TYR  11 -29.284   3.642  -0.871
   93    HA   PRO  12           HA       PRO  12 -35.554  -0.214   3.884
   94   1HB   PRO  12          2HB       PRO  12 -34.776   2.509   2.914
   95   2HB   PRO  12          1HB       PRO  12 -36.031   2.045   4.069
   96   1HG   PRO  12          2HG       PRO  12 -33.708   3.056   4.900
   97   2HG   PRO  12          1HG       PRO  12 -34.523   1.762   5.800
   98   1HD   PRO  12          2HD       PRO  12 -32.096   1.642   4.095
   99   2HD   PRO  12          1HD       PRO  12 -32.553   0.641   5.486
  100    H    VAL  13           H        VAL  13 -35.943  -1.567   2.127
  101    HA   VAL  13           HA       VAL  13 -35.113  -1.201  -0.495
  102    HB   VAL  13           HB       VAL  13 -37.824  -2.294  -0.401
  103   1HG1  VAL  13          2HG1      VAL  13 -36.115  -2.755  -2.130
  104   2HG1  VAL  13          1HG1      VAL  13 -35.169  -3.623  -0.922
  105   3HG1  VAL  13          3HG1      VAL  13 -36.761  -4.219  -1.389
  106   1HG2  VAL  13          2HG2      VAL  13 -35.805  -3.375   1.559
  107   2HG2  VAL  13          1HG2      VAL  13 -37.411  -2.738   1.919
  108   3HG2  VAL  13          3HG2      VAL  13 -37.241  -4.249   1.024
  109    H    SER  14           H        SER  14 -35.231   0.924  -1.149
  110    HA   SER  14           HA       SER  14 -37.599   1.760  -2.417
  111   1HB   SER  14          2HB       SER  14 -38.621   3.164  -0.960
  112   2HB   SER  14          1HB       SER  14 -37.714   2.296   0.282
  113    HG   SER  14           HG       SER  14 -37.245   4.420   0.577
  114    H    LYS  15           H        LYS  15 -37.016   3.024  -4.050
  115    HA   LYS  15           HA       LYS  15 -35.968   4.791  -5.140
  116   1HB   LYS  15          2HB       LYS  15 -35.193   5.504  -2.736
  117   2HB   LYS  15          1HB       LYS  15 -33.669   4.770  -3.220
  118   1HG   LYS  15          2HG       LYS  15 -33.355   6.974  -3.795
  119   2HG   LYS  15          1HG       LYS  15 -33.904   6.273  -5.319
  120   1HD   LYS  15          2HD       LYS  15 -36.159   7.065  -4.905
  121   2HD   LYS  15          1HD       LYS  15 -35.674   7.686  -3.327
  122   1HE   LYS  15          2HE       LYS  15 -33.896   8.818  -5.215
  123   2HE   LYS  15          1HE       LYS  15 -35.515   8.965  -5.896
  124   1HZ   LYS  15          2HZ       LYS  15 -36.097   9.812  -3.537
  125   2HZ   LYS  15          1HZ       LYS  15 -34.438  10.110  -3.411
  126   3HZ   LYS  15          3HZ       LYS  15 -35.341  10.855  -4.632
  127    H    CYS  16           H        CYS  16 -34.776   1.790  -4.196
  128    HA   CYS  16           HA       CYS  16 -32.356   1.684  -5.657
  129   1HB   CYS  16          2HB       CYS  16 -34.123  -0.215  -4.266
  130   2HB   CYS  16          1HB       CYS  16 -33.226  -0.922  -5.603
  131    H    GLN  17           H        GLN  17 -33.286   2.882  -7.572
  132    HA   GLN  17           HA       GLN  17 -34.553   1.004  -9.468
  133   1HB   GLN  17          2HB       GLN  17 -34.800   3.965  -9.103
  134   2HB   GLN  17          1HB       GLN  17 -35.102   3.255 -10.683
  135   1HG   GLN  17          2HG       GLN  17 -37.204   3.364  -9.726
  136   2HG   GLN  17          1HG       GLN  17 -36.719   1.695  -9.433
  137   1HE2  GLN  17          2HE2      GLN  17 -37.110   1.940  -6.020
  138   2HE2  GLN  17          1HE2      GLN  17 -36.995   0.974  -7.447
  139    H    LEU  18           H        LEU  18 -31.727   2.788  -8.781
  140    HA   LEU  18           HA       LEU  18 -30.440   1.811 -11.141
  141   1HB   LEU  18          2HB       LEU  18 -29.805   4.596 -11.221
  142   2HB   LEU  18          1HB       LEU  18 -30.528   3.615 -12.475
  143    HG   LEU  18           HG       LEU  18 -32.772   4.159 -11.559
  144   1HD1  LEU  18          3HD1      LEU  18 -31.503   4.809  -9.247
  145   2HD1  LEU  18          2HD1      LEU  18 -31.739   6.404  -9.957
  146   3HD1  LEU  18          1HD1      LEU  18 -33.122   5.353  -9.679
  147   1HD2  LEU  18          1HD2      LEU  18 -30.903   6.309 -12.466
  148   2HD2  LEU  18          3HD2      LEU  18 -32.170   5.477 -13.367
  149   3HD2  LEU  18          2HD2      LEU  18 -32.598   6.661 -12.131
  150    H    ALA  19           H        ALA  19 -28.115   2.856 -11.221
  151    HA   ALA  19           HA       ALA  19 -26.765   2.098  -8.909
  152   1HB   ALA  19          1HB       ALA  19 -25.803   2.275 -11.211
  153   2HB   ALA  19          3HB       ALA  19 -25.719   4.021 -10.974
  154   3HB   ALA  19          2HB       ALA  19 -24.787   2.944  -9.934
  155    H    ASN  20           H        ASN  20 -24.900   4.361  -8.821
  156    HA   ASN  20           HA       ASN  20 -24.453   6.151  -7.527
  157   1HB   ASN  20          2HB       ASN  20 -25.770   7.528  -8.892
  158   2HB   ASN  20          1HB       ASN  20 -27.271   6.776  -8.364
  159   1HD2  ASN  20          2HD2      ASN  20 -25.457   9.290  -5.689
  160   2HD2  ASN  20          1HD2      ASN  20 -24.521   8.160  -6.601
  161    H    GLN  21           H        GLN  21 -27.840   5.831  -6.538
  162    HA   GLN  21           HA       GLN  21 -27.577   6.239  -3.886
  163   1HB   GLN  21          2HB       GLN  21 -29.734   5.878  -4.986
  164   2HB   GLN  21          1HB       GLN  21 -29.370   4.166  -5.163
  165   1HG   GLN  21          2HG       GLN  21 -30.911   4.777  -3.279
  166   2HG   GLN  21          1HG       GLN  21 -29.515   3.792  -2.846
  167   1HE2  GLN  21          2HE2      GLN  21 -29.126   7.747  -1.899
  168   2HE2  GLN  21          1HE2      GLN  21 -29.611   7.257  -3.484
  169    H    CYS  22           H        CYS  22 -27.998   2.859  -4.916
  170    HA   CYS  22           HA       CYS  22 -26.839   1.777  -2.615
  171   1HB   CYS  22          2HB       CYS  22 -28.315   0.669  -4.455
  172   2HB   CYS  22          1HB       CYS  22 -26.775   0.314  -5.232
  173    H    ASN  23           H        ASN  23 -25.421   2.486  -5.783
  174    HA   ASN  23           HA       ASN  23 -22.938   1.297  -5.488
  175   1HB   ASN  23          2HB       ASN  23 -23.901   2.501  -7.529
  176   2HB   ASN  23          1HB       ASN  23 -23.322   3.991  -6.790
  177   1HD2  ASN  23          2HD2      ASN  23 -20.392   3.515  -8.583
  178   2HD2  ASN  23          1HD2      ASN  23 -21.818   4.456  -8.330
  179    H    TYR  24           H        TYR  24 -23.345   4.808  -5.167
  180    HA   TYR  24           HA       TYR  24 -21.009   5.329  -3.814
  181   1HB   TYR  24          2HB       TYR  24 -21.839   7.388  -4.184
  182   2HB   TYR  24          1HB       TYR  24 -23.451   6.734  -4.421
  183    HD1  TYR  24           HD2      TYR  24 -21.173   7.188  -1.503
  184    HD2  TYR  24           HD1      TYR  24 -25.047   7.801  -3.148
  185    HE1  TYR  24           HE2      TYR  24 -21.881   8.246   0.588
  186    HE2  TYR  24           HE1      TYR  24 -25.771   8.868  -1.051
  187    HH   TYR  24           HH       TYR  24 -25.231   9.276   1.091
  188    H    ASP  25           H        ASP  25 -24.124   4.340  -2.480
  189    HA   ASP  25           HA       ASP  25 -23.574   4.688   0.223
  190   1HB   ASP  25          2HB       ASP  25 -25.297   2.656  -1.184
  191   2HB   ASP  25          1HB       ASP  25 -25.234   2.805   0.568
  192    H    CYS  26           H        CYS  26 -23.375   1.551  -1.485
  193    HA   CYS  26           HA       CYS  26 -22.031   0.271   0.582
  194   1HB   CYS  26          2HB       CYS  26 -21.820  -0.285  -2.389
  195   2HB   CYS  26          1HB       CYS  26 -21.280  -1.372  -1.119
  196    H    LYS  27           H        LYS  27 -20.842   2.266  -2.042
  197    HA   LYS  27           HA       LYS  27 -18.112   1.726  -1.812
  198   1HB   LYS  27          2HB       LYS  27 -19.496   3.155  -3.548
  199   2HB   LYS  27          1HB       LYS  27 -19.034   4.483  -2.495
  200   1HG   LYS  27          2HG       LYS  27 -16.771   4.241  -2.969
  201   2HG   LYS  27          1HG       LYS  27 -16.969   2.587  -3.551
  202   1HD   LYS  27          2HD       LYS  27 -16.597   3.951  -5.458
  203   2HD   LYS  27          1HD       LYS  27 -18.309   3.522  -5.462
  204   1HE   LYS  27          2HE       LYS  27 -17.730   5.940  -5.986
  205   2HE   LYS  27          1HE       LYS  27 -18.952   5.671  -4.745
  206   1HZ   LYS  27          1HZ       LYS  27 -17.162   5.951  -3.075
  207   2HZ   LYS  27          3HZ       LYS  27 -16.102   6.384  -4.321
  208   3HZ   LYS  27          2HZ       LYS  27 -17.454   7.344  -3.989
  209    H    LEU  28           H        LEU  28 -19.974   2.806   0.655
  210    HA   LEU  28           HA       LEU  28 -17.691   3.711   2.128
  211   1HB   LEU  28          2HB       LEU  28 -18.247   5.737   0.839
  212   2HB   LEU  28          1HB       LEU  28 -19.851   5.731   1.543
  213    HG   LEU  28           HG       LEU  28 -18.578   5.854   3.817
  214   1HD1  LEU  28          3HD1      LEU  28 -16.368   5.535   2.463
  215   2HD1  LEU  28          2HD1      LEU  28 -16.516   7.271   2.193
  216   3HD1  LEU  28          1HD1      LEU  28 -16.419   6.639   3.837
  217   1HD2  LEU  28          1HD2      LEU  28 -19.054   8.039   1.834
  218   2HD2  LEU  28          3HD2      LEU  28 -19.926   7.663   3.320
  219   3HD2  LEU  28          2HD2      LEU  28 -18.330   8.408   3.400
  220    H    ASP  29           H        ASP  29 -21.210   3.409   1.993
  221    HA   ASP  29           HA       ASP  29 -21.634   3.620   4.789
  222   1HB   ASP  29          2HB       ASP  29 -23.296   2.371   2.596
  223   2HB   ASP  29          1HB       ASP  29 -23.838   2.506   4.266
  224    H    LYS  30           H        LYS  30 -20.256   1.190   2.888
  225    HA   LYS  30           HA       LYS  30 -20.278  -0.639   5.173
  226   1HB   LYS  30          2HB       LYS  30 -21.004  -1.433   2.347
  227   2HB   LYS  30          1HB       LYS  30 -20.667  -2.571   3.647
  228   1HG   LYS  30          2HG       LYS  30 -22.558  -1.163   4.863
  229   2HG   LYS  30          1HG       LYS  30 -23.039  -0.845   3.197
  230   1HD   LYS  30          2HD       LYS  30 -24.227  -2.761   3.595
  231   2HD   LYS  30          1HD       LYS  30 -22.730  -3.455   2.971
  232   1HE   LYS  30          2HE       LYS  30 -23.513  -3.143   5.866
  233   2HE   LYS  30          1HE       LYS  30 -23.415  -4.649   4.955
  234   1HZ   LYS  30          1HZ       LYS  30 -21.111  -2.855   5.497
  235   2HZ   LYS  30          3HZ       LYS  30 -21.469  -4.254   6.380
  236   3HZ   LYS  30          2HZ       LYS  30 -21.053  -4.369   4.744
  237    H    HIS  31           H        HIS  31 -18.413   1.196   3.557
  238    HA   HIS  31           HA       HIS  31 -16.246   1.218   2.854
  239   1HB   HIS  31          2HB       HIS  31 -15.916  -1.304   4.478
  240   2HB   HIS  31          1HB       HIS  31 -14.709  -0.067   4.142
  241    HD1  HIS  31           HD1      HIS  31 -16.640  -1.200   6.825
  242    HD2  HIS  31           HD2      HIS  31 -15.830   2.581   5.304
  243    HE1  HIS  31           HE1      HIS  31 -17.101   0.397   8.713
  244    HE2  HIS  31           HE2      HIS  31 -16.516   2.670   7.796
  245    H    ALA  32           H        ALA  32 -18.203  -0.293   1.263
  246    HA   ALA  32           HA       ALA  32 -16.716  -2.542   0.192
  247   1HB   ALA  32          2HB       ALA  32 -19.418  -1.918   0.349
  248   2HB   ALA  32          1HB       ALA  32 -19.046  -1.734  -1.363
  249   3HB   ALA  32          3HB       ALA  32 -18.711  -3.262  -0.546
  250    H    ARG  33           H        ARG  33 -17.022  -2.522  -2.445
  251    HA   ARG  33           HA       ARG  33 -15.379  -0.242  -3.283
  252   1HB   ARG  33          2HB       ARG  33 -15.871  -2.952  -4.520
  253   2HB   ARG  33          1HB       ARG  33 -14.938  -1.682  -5.303
  254   1HG   ARG  33          2HG       ARG  33 -13.631  -1.726  -3.001
  255   2HG   ARG  33          1HG       ARG  33 -14.255  -3.375  -2.963
  256   1HD   ARG  33          2HD       ARG  33 -12.224  -3.643  -4.031
  257   2HD   ARG  33          1HD       ARG  33 -13.344  -3.504  -5.386
  258    HE   ARG  33           HE       ARG  33 -12.249  -0.982  -4.608
  259   1HH1  ARG  33          1HH2      ARG  33 -11.632  -3.880  -6.440
  260   2HH1  ARG  33          2HH2      ARG  33 -10.516  -3.113  -7.521
  261   1HH2  ARG  33          2HH1      ARG  33 -10.786   0.036  -6.025
  262   2HH2  ARG  33          1HH1      ARG  33 -10.036  -0.885  -7.286
  263    H    SER  34           H        SER  34 -18.171  -2.139  -4.408
  264    HA   SER  34           HA       SER  34 -19.277   0.298  -5.595
  265   1HB   SER  34          2HB       SER  34 -19.001  -0.381  -7.722
  266   2HB   SER  34          1HB       SER  34 -18.105  -1.783  -7.138
  267    HG   SER  34           HG       SER  34 -20.629  -1.629  -8.142
  268    H    GLY  35           H        GLY  35 -21.566  -0.610  -6.686
  269   1HA   GLY  35          2HA       GLY  35 -22.857  -2.590  -5.075
  270   2HA   GLY  35          1HA       GLY  35 -23.266  -0.964  -4.553
  271    H    GLU  36           H        GLU  36 -25.202  -2.647  -5.368
  272    HA   GLU  36           HA       GLU  36 -26.596  -1.179  -7.305
  273   1HB   GLU  36          2HB       GLU  36 -24.902  -3.333  -8.339
  274   2HB   GLU  36          1HB       GLU  36 -26.589  -3.548  -8.782
  275   1HG   GLU  36          2HG       GLU  36 -26.625  -1.698 -10.114
  276   2HG   GLU  36          1HG       GLU  36 -25.372  -0.868  -9.193
  277    H    CYS  37           H        CYS  37 -28.796  -1.851  -7.383
  278    HA   CYS  37           HA       CYS  37 -29.448  -3.777  -5.290
  279   1HB   CYS  37          2HB       CYS  37 -30.638  -1.352  -6.226
  280   2HB   CYS  37          1HB       CYS  37 -31.827  -2.645  -6.345
  281    H    PHE  38           H        PHE  38 -30.527  -5.647  -5.563
  282    HA   PHE  38           HA       PHE  38 -31.595  -6.346  -8.188
  283   1HB   PHE  38          2HB       PHE  38 -29.385  -7.887  -6.815
  284   2HB   PHE  38          1HB       PHE  38 -30.379  -8.561  -8.101
  285    HD1  PHE  38           HD2      PHE  38 -30.531  -6.948 -10.240
  286    HD2  PHE  38           HD1      PHE  38 -27.345  -7.050  -7.421
  287    HE1  PHE  38           HE2      PHE  38 -29.015  -5.991 -11.924
  288    HE2  PHE  38           HE1      PHE  38 -25.823  -6.091  -9.101
  289    HZ   PHE  38           HZ       PHE  38 -26.658  -5.560 -11.356
  290    H    TYR  39           H        TYR  39 -32.921  -8.294  -8.137
  291    HA   TYR  39           HA       TYR  39 -34.376  -8.491  -5.649
  292   1HB   TYR  39          2HB       TYR  39 -34.981 -10.264  -7.971
  293   2HB   TYR  39          1HB       TYR  39 -36.080  -9.448  -6.864
  294    HD1  TYR  39           HD1      TYR  39 -33.873  -8.948  -9.787
  295    HD2  TYR  39           HD2      TYR  39 -36.972  -7.321  -7.373
  296    HE1  TYR  39           HE1      TYR  39 -34.240  -7.181 -11.459
  297    HE2  TYR  39           HE2      TYR  39 -37.346  -5.549  -9.034
  298    HH   TYR  39           HH       TYR  39 -35.460  -4.517 -11.082
  299    H    ASP  40           H        ASP  40 -34.846 -10.510  -4.569
  300    HA   ASP  40           HA       ASP  40 -33.312 -12.853  -5.179
  301   1HB   ASP  40          2HB       ASP  40 -31.957 -12.901  -3.164
  302   2HB   ASP  40          1HB       ASP  40 -31.592 -11.441  -4.080
  303    H    GLU  41           H        GLU  41 -35.835 -12.941  -5.151
  304    HA   GLU  41           HA       GLU  41 -37.356 -14.449  -4.324
  305   1HB   GLU  41          2HB       GLU  41 -35.447 -15.182  -2.707
  306   2HB   GLU  41          1HB       GLU  41 -36.312 -14.196  -1.534
  307   1HG   GLU  41          2HG       GLU  41 -36.990 -16.482  -1.306
  308   2HG   GLU  41          1HG       GLU  41 -38.335 -15.534  -1.937
  309    H    LYS  42           H        LYS  42 -36.574 -11.377  -3.128
  310    HA   LYS  42           HA       LYS  42 -39.142 -11.038  -1.768
  311   1HB   LYS  42          2HB       LYS  42 -36.813 -10.190  -0.934
  312   2HB   LYS  42          1HB       LYS  42 -37.099  -8.867  -2.056
  313   1HG   LYS  42          2HG       LYS  42 -37.834  -8.141   0.064
  314   2HG   LYS  42          1HG       LYS  42 -39.279  -8.470  -0.892
  315   1HD   LYS  42          2HD       LYS  42 -38.516 -10.869   0.497
  316   2HD   LYS  42          1HD       LYS  42 -38.580  -9.537   1.651
  317   1HE   LYS  42          2HE       LYS  42 -40.784 -10.335  -0.252
  318   2HE   LYS  42          1HE       LYS  42 -40.732 -10.690   1.475
  319   1HZ   LYS  42          2HZ       LYS  42 -40.349  -7.960   1.216
  320   2HZ   LYS  42          1HZ       LYS  42 -41.625  -8.348   0.175
  321   3HZ   LYS  42          3HZ       LYS  42 -41.718  -8.754   1.815
  322    H    ARG  43           H        ARG  43 -37.896 -10.691  -4.849
  323    HA   ARG  43           HA       ARG  43 -38.442  -9.389  -6.668
  324   1HB   ARG  43          2HB       ARG  43 -41.182  -9.864  -5.473
  325   2HB   ARG  43          1HB       ARG  43 -40.856  -9.414  -7.142
  326   1HG   ARG  43          2HG       ARG  43 -41.128 -11.668  -7.365
  327   2HG   ARG  43          1HG       ARG  43 -39.384 -11.587  -7.103
  328   1HD   ARG  43          2HD       ARG  43 -40.433 -13.345  -5.753
  329   2HD   ARG  43          1HD       ARG  43 -39.687 -12.102  -4.752
  330    HE   ARG  43           HE       ARG  43 -41.775 -11.496  -3.982
  331   1HH1  ARG  43          1HH2      ARG  43 -42.080 -13.720  -6.644
  332   2HH1  ARG  43          2HH2      ARG  43 -43.771 -13.994  -6.391
  333   1HH2  ARG  43          2HH1      ARG  43 -44.003 -11.852  -3.637
  334   2HH2  ARG  43          1HH1      ARG  43 -44.864 -12.934  -4.681
  335    H    ASN  44           H        ASN  44 -37.640  -7.807  -4.508
  336    HA   ASN  44           HA       ASN  44 -39.114  -5.355  -5.094
  337   1HB   ASN  44          2HB       ASN  44 -38.933  -6.678  -2.447
  338   2HB   ASN  44          1HB       ASN  44 -38.660  -4.940  -2.460
  339   1HD2  ASN  44          2HD2      ASN  44 -42.218  -5.329  -1.888
  340   2HD2  ASN  44          1HD2      ASN  44 -40.722  -5.584  -1.061
  341    H    LEU  45           H        LEU  45 -36.329  -6.901  -5.170
  342    HA   LEU  45           HA       LEU  45 -34.180  -6.241  -5.539
  343   1HB   LEU  45          2HB       LEU  45 -34.990  -3.412  -4.963
  344   2HB   LEU  45          1HB       LEU  45 -33.647  -3.979  -5.932
  345    HG   LEU  45           HG       LEU  45 -36.332  -4.796  -6.877
  346   1HD1  LEU  45          1HD1      LEU  45 -35.440  -1.931  -6.824
  347   2HD1  LEU  45          3HD1      LEU  45 -36.561  -2.543  -8.038
  348   3HD1  LEU  45          2HD1      LEU  45 -36.988  -2.611  -6.327
  349   1HD2  LEU  45          3HD2      LEU  45 -33.815  -3.759  -8.172
  350   2HD2  LEU  45          2HD2      LEU  45 -34.442  -5.406  -8.192
  351   3HD2  LEU  45          1HD2      LEU  45 -35.294  -4.125  -9.057
  352    H    GLN  46           H        GLN  46 -32.288  -5.713  -4.418
  353    HA   GLN  46           HA       GLN  46 -32.477  -4.771  -1.679
  354   1HB   GLN  46          2HB       GLN  46 -32.787  -7.357  -1.818
  355   2HB   GLN  46          1HB       GLN  46 -31.057  -7.377  -2.138
  356   1HG   GLN  46          2HG       GLN  46 -31.579  -7.754   0.222
  357   2HG   GLN  46          1HG       GLN  46 -30.618  -6.296  -0.023
  358   1HE2  GLN  46          2HE2      GLN  46 -34.316  -6.126   1.599
  359   2HE2  GLN  46          1HE2      GLN  46 -33.638  -7.597   0.999
  360    H    CYS  47           H        CYS  47 -30.654  -3.719  -1.035
  361    HA   CYS  47           HA       CYS  47 -28.813  -2.901  -2.969
  362   1HB   CYS  47          2HB       CYS  47 -29.449  -2.201  -0.312
  363   2HB   CYS  47          1HB       CYS  47 -27.716  -2.509  -0.336
  364    H    ILE  48           H        ILE  48 -27.611  -4.404  -3.967
  365    HA   ILE  48           HA       ILE  48 -26.079  -6.342  -2.425
  366    HB   ILE  48           HB       ILE  48 -26.320  -5.952  -5.405
  367   1HG1  ILE  48          2HG1      ILE  48 -28.343  -6.838  -4.343
  368   2HG1  ILE  48          1HG1      ILE  48 -27.560  -8.071  -5.327
  369   1HG2  ILE  48          3HG2      ILE  48 -24.725  -7.917  -3.799
  370   2HG2  ILE  48          2HG2      ILE  48 -25.181  -8.203  -5.478
  371   3HG2  ILE  48          1HG2      ILE  48 -24.165  -6.822  -5.064
  372   1HD1  ILE  48          1HD1      ILE  48 -26.424  -8.572  -2.939
  373   2HD1  ILE  48          3HD1      ILE  48 -27.995  -7.956  -2.426
  374   3HD1  ILE  48          2HD1      ILE  48 -27.905  -9.342  -3.512
  375    H    CYS  49           H        CYS  49 -24.201  -5.707  -1.587
  376    HA   CYS  49           HA       CYS  49 -22.724  -3.518  -2.831
  377   1HB   CYS  49          2HB       CYS  49 -22.297  -4.983  -0.221
  378   2HB   CYS  49          1HB       CYS  49 -21.320  -3.632  -0.782
  379    H    ASP  50           H        ASP  50 -20.935  -3.753  -3.988
  380    HA   ASP  50           HA       ASP  50 -19.839  -6.444  -4.360
  381   1HB   ASP  50          2HB       ASP  50 -20.326  -5.464  -6.446
  382   2HB   ASP  50          1HB       ASP  50 -19.699  -3.893  -5.955
  383    H    TYR  51           H        TYR  51 -18.001  -7.044  -3.476
  384    HA   TYR  51           HA       TYR  51 -16.339  -5.021  -2.162
  385   1HB   TYR  51          2HB       TYR  51 -16.689  -7.983  -1.827
  386   2HB   TYR  51          1HB       TYR  51 -15.319  -7.137  -1.104
  387    HD1  TYR  51           HD1      TYR  51 -19.040  -6.960  -1.316
  388    HD2  TYR  51           HD2      TYR  51 -15.564  -6.235   1.026
  389    HE1  TYR  51           HE1      TYR  51 -20.463  -6.315   0.584
  390    HE2  TYR  51           HE2      TYR  51 -16.976  -5.590   2.933
  391    HH   TYR  51           HH       TYR  51 -19.636  -4.598   3.003
  392    H    CYS  52           H        CYS  52 -16.257  -7.359  -4.744
  393    HA   CYS  52           HA       CYS  52 -13.364  -6.957  -5.094
  394   1HB   CYS  52          2HB       CYS  52 -15.288  -8.951  -6.285
  395   2HB   CYS  52          1HB       CYS  52 -13.633  -8.770  -6.843
  396    H    GLU  53           H        GLU  53 -15.027  -7.909  -7.867
  397    HA   GLU  53           HA       GLU  53 -15.705  -5.375  -8.957
  398   1HB   GLU  53          2HB       GLU  53 -13.141  -5.376  -8.937
  399   2HB   GLU  53          1HB       GLU  53 -13.245  -6.621 -10.174
  400   1HG   GLU  53          2HG       GLU  53 -13.134  -4.851 -11.566
  401   2HG   GLU  53          1HG       GLU  53 -14.869  -4.778 -11.257
  402    H    TYR  54           HN       TYR  54 -14.594  -6.522 -11.619
  403    HA   TYR  54           HA       TYR  54 -15.582  -8.940 -12.338
  404   1HB   TYR  54          2HB       TYR  54 -17.797  -7.229 -11.671
  405   2HB   TYR  54          1HB       TYR  54 -17.837  -7.539 -13.395
  406    HD1  TYR  54           HD1      TYR  54 -16.725  -9.884 -10.684
  407    HD2  TYR  54           HD2      TYR  54 -19.648  -8.956 -13.642
  408    HE1  TYR  54           HE1      TYR  54 -17.794 -12.058 -10.304
  409    HE2  TYR  54           HE2      TYR  54 -20.721 -11.134 -13.264
  410    HH   TYR  54           HH       TYR  54 -20.195 -13.019 -10.634
   
  No H/Q in entry =         410
  Start of MODEL   24
    1    HN   PCA   1           HN       PCA   1 -15.154 -15.556 -11.871
    2    HA   PCA   1           HA       PCA   1 -14.213 -13.433 -10.790
    3   1HB   PCA   1          1HB       PCA   1 -13.193 -11.983 -12.196
    4   2HB   PCA   1          2HB       PCA   1 -14.704 -11.740 -13.102
    5   1HG   PCA   1          1HG       PCA   1 -12.421 -13.413 -13.785
    6   2HG   PCA   1          2HG       PCA   1 -13.874 -13.087 -14.748
    7    H    ASP   2           H        ASP   2 -16.050 -13.486  -9.570
    8    HA   ASP   2           HA       ASP   2 -18.153 -11.706 -10.275
    9   1HB   ASP   2          2HB       ASP   2 -18.944 -13.594 -11.581
   10   2HB   ASP   2          1HB       ASP   2 -18.792 -14.663 -10.189
   11    H    LYS   3           H        LYS   3 -17.730 -14.621  -8.247
   12    HA   LYS   3           HA       LYS   3 -19.128 -13.997  -6.044
   13   1HB   LYS   3          2HB       LYS   3 -16.361 -15.175  -6.210
   14   2HB   LYS   3          1HB       LYS   3 -17.240 -15.059  -4.692
   15   1HG   LYS   3          2HG       LYS   3 -18.583 -16.351  -7.008
   16   2HG   LYS   3          1HG       LYS   3 -17.319 -17.240  -6.157
   17   1HD   LYS   3          2HD       LYS   3 -18.504 -17.129  -4.103
   18   2HD   LYS   3          1HD       LYS   3 -19.648 -15.950  -4.749
   19   1HE   LYS   3          2HE       LYS   3 -20.776 -17.534  -5.999
   20   2HE   LYS   3          1HE       LYS   3 -19.398 -18.634  -6.035
   21   1HZ   LYS   3          2HZ       LYS   3 -20.105 -18.346  -3.374
   22   2HZ   LYS   3          1HZ       LYS   3 -21.557 -18.555  -4.214
   23   3HZ   LYS   3          3HZ       LYS   3 -20.325 -19.707  -4.354
   24    H    CYS   4           H        CYS   4 -19.290 -12.343  -4.730
   25    HA   CYS   4           HA       CYS   4 -17.462 -11.044  -3.255
   26   1HB   CYS   4          2HB       CYS   4 -17.246 -10.201  -6.083
   27   2HB   CYS   4          1HB       CYS   4 -17.279  -8.886  -4.913
   28    H    LYS   5           H        LYS   5 -20.453 -11.235  -4.679
   29    HA   LYS   5           HA       LYS   5 -21.408  -8.626  -3.868
   30   1HB   LYS   5          2HB       LYS   5 -22.839 -11.014  -5.045
   31   2HB   LYS   5          1HB       LYS   5 -23.604  -9.469  -4.700
   32   1HG   LYS   5          2HG       LYS   5 -21.242  -9.724  -6.537
   33   2HG   LYS   5          1HG       LYS   5 -22.909  -9.885  -7.093
   34   1HD   LYS   5          2HD       LYS   5 -23.355  -7.629  -6.082
   35   2HD   LYS   5          1HD       LYS   5 -21.617  -7.481  -5.819
   36   1HE   LYS   5          2HE       LYS   5 -21.216  -7.705  -8.204
   37   2HE   LYS   5          1HE       LYS   5 -22.943  -7.920  -8.488
   38   1HZ   LYS   5          3HZ       LYS   5 -21.695  -5.482  -7.337
   39   2HZ   LYS   5          2HZ       LYS   5 -22.206  -5.648  -8.940
   40   3HZ   LYS   5          1HZ       LYS   5 -23.337  -5.691  -7.683
   41    H    LYS   6           H        LYS   6 -22.800  -8.168  -2.245
   42    HA   LYS   6           HA       LYS   6 -23.782 -10.276  -0.507
   43   1HB   LYS   6          2HB       LYS   6 -21.577  -8.443   0.200
   44   2HB   LYS   6          1HB       LYS   6 -22.843  -8.584   1.413
   45   1HG   LYS   6          2HG       LYS   6 -22.552 -11.083   1.245
   46   2HG   LYS   6          1HG       LYS   6 -21.108 -10.761   0.284
   47   1HD   LYS   6          2HD       LYS   6 -20.443  -9.230   2.276
   48   2HD   LYS   6          1HD       LYS   6 -21.633 -10.177   3.170
   49   1HE   LYS   6          2HE       LYS   6 -19.008 -10.988   2.050
   50   2HE   LYS   6          1HE       LYS   6 -19.775 -11.442   3.570
   51   1HZ   LYS   6          1HZ       LYS   6 -20.926 -12.378   1.032
   52   2HZ   LYS   6          3HZ       LYS   6 -19.566 -13.160   1.664
   53   3HZ   LYS   6          2HZ       LYS   6 -20.997 -13.088   2.565
   54    H    VAL   7           H        VAL   7 -25.822  -9.840  -0.069
   55    HA   VAL   7           HA       VAL   7 -27.140  -7.542  -0.902
   56    HB   VAL   7           HB       VAL   7 -29.094  -8.398  -0.001
   57   1HG1  VAL   7          1HG1      VAL   7 -27.859  -9.917  -1.604
   58   2HG1  VAL   7          3HG1      VAL   7 -27.448 -10.900  -0.197
   59   3HG1  VAL   7          2HG1      VAL   7 -29.139 -10.658  -0.639
   60   1HG2  VAL   7          3HG2      VAL   7 -27.348  -9.557   2.139
   61   2HG2  VAL   7          2HG2      VAL   7 -28.764  -8.515   2.299
   62   3HG2  VAL   7          1HG2      VAL   7 -28.959 -10.210   1.845
   63    H    TYR   8           H        TYR   8 -28.126  -5.864   0.143
   64    HA   TYR   8           HA       TYR   8 -26.897  -5.062   2.699
   65   1HB   TYR   8          2HB       TYR   8 -26.780  -3.628   0.477
   66   2HB   TYR   8          1HB       TYR   8 -28.412  -3.161   0.937
   67    HD1  TYR   8           HD2      TYR   8 -28.016  -3.101   3.949
   68    HD2  TYR   8           HD1      TYR   8 -25.648  -1.596   0.752
   69    HE1  TYR   8           HE2      TYR   8 -27.083  -1.399   5.450
   70    HE2  TYR   8           HE1      TYR   8 -24.708   0.113   2.248
   71    HH   TYR   8           HH       TYR   8 -24.465   0.709   4.445
   72    H    GLU   9           H        GLU   9 -28.449  -6.532   3.714
   73    HA   GLU   9           HA       GLU   9 -31.173  -6.477   3.531
   74   1HB   GLU   9          2HB       GLU   9 -30.947  -6.817   6.186
   75   2HB   GLU   9          1HB       GLU   9 -30.546  -8.080   5.030
   76   1HG   GLU   9          2HG       GLU   9 -28.219  -7.578   5.177
   77   2HG   GLU   9          1HG       GLU   9 -28.538  -6.140   6.145
   78    H    ASN  10           H        ASN  10 -30.074  -5.131   6.477
   79    HA   ASN  10           HA       ASN  10 -32.036  -3.244   6.789
   80   1HB   ASN  10          2HB       ASN  10 -29.334  -3.650   7.927
   81   2HB   ASN  10          1HB       ASN  10 -29.964  -2.013   8.073
   82   1HD2  ASN  10          2HD2      ASN  10 -31.304  -4.962  10.437
   83   2HD2  ASN  10          1HD2      ASN  10 -30.044  -5.178   9.275
   84    H    TYR  11           H        TYR  11 -32.503  -2.155   4.927
   85    HA   TYR  11           HA       TYR  11 -31.162   0.269   4.427
   86   1HB   TYR  11          2HB       TYR  11 -29.440  -1.064   3.397
   87   2HB   TYR  11          1HB       TYR  11 -30.627  -1.947   2.446
   88    HD1  TYR  11           HD1      TYR  11 -28.824   1.231   2.812
   89    HD2  TYR  11           HD2      TYR  11 -31.573  -0.983   0.438
   90    HE1  TYR  11           HE1      TYR  11 -28.542   2.852   0.985
   91    HE2  TYR  11           HE2      TYR  11 -31.301   0.633  -1.396
   92    HH   TYR  11           HH       TYR  11 -28.828   2.771  -1.611
   93    HA   PRO  12           HA       PRO  12 -35.549   0.578   3.171
   94   1HB   PRO  12          2HB       PRO  12 -34.455   3.255   2.394
   95   2HB   PRO  12          1HB       PRO  12 -35.962   2.855   3.230
   96   1HG   PRO  12          2HG       PRO  12 -33.870   3.789   4.582
   97   2HG   PRO  12          1HG       PRO  12 -34.899   2.515   5.262
   98   1HD   PRO  12          2HD       PRO  12 -32.161   2.328   4.115
   99   2HD   PRO  12          1HD       PRO  12 -32.915   1.372   5.406
  100    H    VAL  13           H        VAL  13 -36.238  -0.223   1.316
  101    HA   VAL  13           HA       VAL  13 -34.684  -0.501  -0.990
  102    HB   VAL  13           HB       VAL  13 -37.693  -0.584  -0.827
  103   1HG1  VAL  13          3HG1      VAL  13 -35.724  -1.226  -2.929
  104   2HG1  VAL  13          2HG1      VAL  13 -36.971  -2.445  -2.668
  105   3HG1  VAL  13          1HG1      VAL  13 -37.428  -0.790  -3.065
  106   1HG2  VAL  13          3HG2      VAL  13 -36.698  -2.028   0.857
  107   2HG2  VAL  13          2HG2      VAL  13 -37.413  -2.991  -0.436
  108   3HG2  VAL  13          1HG2      VAL  13 -35.665  -2.770  -0.365
  109    H    SER  14           H        SER  14 -34.467   2.180  -0.413
  110    HA   SER  14           HA       SER  14 -36.246   3.845  -1.826
  111   1HB   SER  14          2HB       SER  14 -34.430   5.529  -1.706
  112   2HB   SER  14          1HB       SER  14 -34.696   4.736  -0.153
  113    HG   SER  14           HG       SER  14 -32.521   4.729  -0.478
  114    H    LYS  15           H        LYS  15 -33.461   4.855  -3.128
  115    HA   LYS  15           HA       LYS  15 -34.194   4.122  -5.772
  116   1HB   LYS  15          2HB       LYS  15 -32.570   6.068  -4.622
  117   2HB   LYS  15          1HB       LYS  15 -31.435   5.057  -5.499
  118   1HG   LYS  15          2HG       LYS  15 -31.999   6.616  -7.084
  119   2HG   LYS  15          1HG       LYS  15 -33.134   5.316  -7.455
  120   1HD   LYS  15          2HD       LYS  15 -34.810   6.499  -6.010
  121   2HD   LYS  15          1HD       LYS  15 -33.677   7.847  -5.908
  122   1HE   LYS  15          2HE       LYS  15 -33.922   8.394  -8.142
  123   2HE   LYS  15          1HE       LYS  15 -34.479   6.780  -8.582
  124   1HZ   LYS  15          3HZ       LYS  15 -36.535   7.278  -7.292
  125   2HZ   LYS  15          2HZ       LYS  15 -36.006   8.877  -7.143
  126   3HZ   LYS  15          1HZ       LYS  15 -36.332   8.234  -8.674
  127    H    CYS  16           H        CYS  16 -33.015   2.838  -7.268
  128    HA   CYS  16           HA       CYS  16 -30.789   1.258  -6.590
  129   1HB   CYS  16          2HB       CYS  16 -33.331   0.244  -5.679
  130   2HB   CYS  16          1HB       CYS  16 -32.652  -0.853  -6.877
  131    H    GLN  17           H        GLN  17 -33.636   1.772  -8.539
  132    HA   GLN  17           HA       GLN  17 -32.748   0.219 -10.773
  133   1HB   GLN  17          2HB       GLN  17 -34.797   2.442 -10.715
  134   2HB   GLN  17          1HB       GLN  17 -34.614   1.219 -11.964
  135   1HG   GLN  17          2HG       GLN  17 -35.099  -0.494 -10.174
  136   2HG   GLN  17          1HG       GLN  17 -35.569   0.857  -9.144
  137   1HE2  GLN  17          2HE2      GLN  17 -38.584   1.517 -10.823
  138   2HE2  GLN  17          1HE2      GLN  17 -37.351   2.164  -9.800
  139    H    LEU  18           H        LEU  18 -30.728   1.942  -9.871
  140    HA   LEU  18           HA       LEU  18 -30.030   3.266 -12.326
  141   1HB   LEU  18          2HB       LEU  18 -30.658   4.851  -9.845
  142   2HB   LEU  18          1HB       LEU  18 -29.535   5.450 -11.047
  143    HG   LEU  18           HG       LEU  18 -32.473   4.892 -11.457
  144   1HD1  LEU  18          3HD1      LEU  18 -31.630   6.966 -10.178
  145   2HD1  LEU  18          2HD1      LEU  18 -31.091   7.520 -11.763
  146   3HD1  LEU  18          1HD1      LEU  18 -32.799   7.180 -11.481
  147   1HD2  LEU  18          2HD2      LEU  18 -30.282   5.601 -13.377
  148   2HD2  LEU  18          1HD2      LEU  18 -31.547   4.383 -13.539
  149   3HD2  LEU  18          3HD2      LEU  18 -31.949   6.093 -13.677
  150    H    ALA  19           H        ALA  19 -28.762   4.655  -9.485
  151    HA   ALA  19           HA       ALA  19 -26.753   2.849  -8.736
  152   1HB   ALA  19          3HB       ALA  19 -25.937   3.188 -11.044
  153   2HB   ALA  19          2HB       ALA  19 -25.793   4.913 -10.718
  154   3HB   ALA  19          1HB       ALA  19 -24.794   3.761  -9.833
  155    H    ASN  20           H        ASN  20 -24.658   4.829  -8.441
  156    HA   ASN  20           HA       ASN  20 -23.964   6.360  -6.930
  157   1HB   ASN  20          2HB       ASN  20 -26.341   7.463  -8.161
  158   2HB   ASN  20          1HB       ASN  20 -26.205   8.028  -6.501
  159   1HD2  ASN  20          2HD2      ASN  20 -23.184   9.816  -7.066
  160   2HD2  ASN  20          1HD2      ASN  20 -24.006   8.848  -5.895
  161    H    GLN  21           H        GLN  21 -27.357   6.499  -5.951
  162    HA   GLN  21           HA       GLN  21 -27.164   6.523  -3.295
  163   1HB   GLN  21          2HB       GLN  21 -29.214   6.040  -5.014
  164   2HB   GLN  21          1HB       GLN  21 -29.117   4.488  -4.198
  165   1HG   GLN  21          2HG       GLN  21 -30.714   5.873  -3.079
  166   2HG   GLN  21          1HG       GLN  21 -29.311   5.654  -2.032
  167   1HE2  GLN  21          1HE2      GLN  21 -28.347   7.656  -4.422
  168   2HE2  GLN  21          2HE2      GLN  21 -28.658   9.185  -3.680
  169    H    CYS  22           H        CYS  22 -27.785   3.330  -4.716
  170    HA   CYS  22           HA       CYS  22 -26.811   1.864  -2.554
  171   1HB   CYS  22          2HB       CYS  22 -28.204   1.139  -4.640
  172   2HB   CYS  22          1HB       CYS  22 -26.634   0.834  -5.371
  173    H    ASN  23           H        ASN  23 -25.235   2.623  -5.638
  174    HA   ASN  23           HA       ASN  23 -22.795   1.406  -5.206
  175   1HB   ASN  23          2HB       ASN  23 -23.888   2.831  -7.232
  176   2HB   ASN  23          1HB       ASN  23 -22.719   4.007  -6.634
  177   1HD2  ASN  23          2HD2      ASN  23 -19.884   2.169  -7.623
  178   2HD2  ASN  23          1HD2      ASN  23 -20.486   3.338  -6.503
  179    H    TYR  24           H        TYR  24 -23.015   4.948  -5.127
  180    HA   TYR  24           HA       TYR  24 -20.734   5.483  -3.748
  181   1HB   TYR  24          2HB       TYR  24 -21.554   7.507  -4.298
  182   2HB   TYR  24          1HB       TYR  24 -23.205   6.911  -4.320
  183    HD1  TYR  24           HD1      TYR  24 -20.587   7.651  -1.756
  184    HD2  TYR  24           HD2      TYR  24 -24.664   7.997  -2.914
  185    HE1  TYR  24           HE1      TYR  24 -21.053   8.913   0.294
  186    HE2  TYR  24           HE2      TYR  24 -25.145   9.266  -0.864
  187    HH   TYR  24           HH       TYR  24 -23.401   9.281   1.743
  188    H    ASP  25           H        ASP  25 -23.920   4.917  -2.227
  189    HA   ASP  25           HA       ASP  25 -23.166   5.335   0.401
  190   1HB   ASP  25          2HB       ASP  25 -25.182   3.383  -0.705
  191   2HB   ASP  25          1HB       ASP  25 -25.013   3.748   1.007
  192    H    CYS  26           H        CYS  26 -23.426   2.065  -1.049
  193    HA   CYS  26           HA       CYS  26 -22.078   0.854   1.064
  194   1HB   CYS  26          2HB       CYS  26 -23.094   0.029  -1.480
  195   2HB   CYS  26          1HB       CYS  26 -21.495  -0.676  -1.241
  196    H    LYS  27           H        LYS  27 -20.857   2.580  -1.700
  197    HA   LYS  27           HA       LYS  27 -18.201   1.670  -1.647
  198   1HB   LYS  27          2HB       LYS  27 -19.653   3.556  -3.124
  199   2HB   LYS  27          1HB       LYS  27 -18.372   4.484  -2.368
  200   1HG   LYS  27          2HG       LYS  27 -16.698   3.046  -3.331
  201   2HG   LYS  27          1HG       LYS  27 -17.943   1.985  -3.989
  202   1HD   LYS  27          2HD       LYS  27 -17.211   3.358  -5.780
  203   2HD   LYS  27          1HD       LYS  27 -18.791   3.970  -5.291
  204   1HE   LYS  27          2HE       LYS  27 -16.322   5.149  -4.091
  205   2HE   LYS  27          1HE       LYS  27 -16.798   5.615  -5.722
  206   1HZ   LYS  27          3HZ       LYS  27 -18.951   5.683  -3.807
  207   2HZ   LYS  27          2HZ       LYS  27 -17.699   6.767  -3.461
  208   3HZ   LYS  27          1HZ       LYS  27 -18.486   6.836  -4.956
  209    H    LEU  28           H        LEU  28 -19.793   3.015   0.856
  210    HA   LEU  28           HA       LEU  28 -17.352   3.656   2.234
  211   1HB   LEU  28          2HB       LEU  28 -17.540   5.773   1.212
  212   2HB   LEU  28          1HB       LEU  28 -19.276   5.825   1.455
  213    HG   LEU  28           HG       LEU  28 -18.934   6.093   3.877
  214   1HD1  LEU  28          1HD1      LEU  28 -16.081   5.756   3.084
  215   2HD1  LEU  28          3HD1      LEU  28 -16.482   6.782   4.462
  216   3HD1  LEU  28          2HD1      LEU  28 -16.957   5.083   4.459
  217   1HD2  LEU  28          1HD2      LEU  28 -17.666   8.032   1.977
  218   2HD2  LEU  28          3HD2      LEU  28 -19.225   8.130   2.795
  219   3HD2  LEU  28          2HD2      LEU  28 -17.735   8.365   3.707
  220    H    ASP  29           H        ASP  29 -20.850   3.495   2.177
  221    HA   ASP  29           HA       ASP  29 -21.244   3.755   4.982
  222   1HB   ASP  29          2HB       ASP  29 -22.937   2.571   2.777
  223   2HB   ASP  29          1HB       ASP  29 -23.469   2.627   4.453
  224    H    LYS  30           H        LYS  30 -20.042   1.289   2.994
  225    HA   LYS  30           HA       LYS  30 -19.933  -0.554   5.262
  226   1HB   LYS  30          2HB       LYS  30 -21.213  -1.070   2.611
  227   2HB   LYS  30          1HB       LYS  30 -20.355  -2.388   3.395
  228   1HG   LYS  30          2HG       LYS  30 -22.298  -0.891   5.053
  229   2HG   LYS  30          1HG       LYS  30 -22.957  -1.915   3.777
  230   1HD   LYS  30          2HD       LYS  30 -21.580  -3.797   4.693
  231   2HD   LYS  30          1HD       LYS  30 -21.152  -2.750   6.047
  232   1HE   LYS  30          2HE       LYS  30 -23.641  -2.481   6.443
  233   2HE   LYS  30          1HE       LYS  30 -23.873  -3.800   5.293
  234   1HZ   LYS  30          2HZ       LYS  30 -22.357  -5.136   6.746
  235   2HZ   LYS  30          1HZ       LYS  30 -22.450  -3.897   7.894
  236   3HZ   LYS  30          3HZ       LYS  30 -23.846  -4.743   7.446
  237    H    HIS  31           H        HIS  31 -18.385   1.113   2.895
  238    HA   HIS  31           HA       HIS  31 -16.274   1.093   2.056
  239   1HB   HIS  31          2HB       HIS  31 -15.551  -1.233   3.804
  240   2HB   HIS  31          1HB       HIS  31 -14.575   0.158   3.344
  241    HD1  HIS  31           HD1      HIS  31 -16.573  -1.147   6.063
  242    HD2  HIS  31           HD2      HIS  31 -15.483   2.625   4.701
  243    HE1  HIS  31           HE1      HIS  31 -16.995   0.413   7.991
  244    HE2  HIS  31           HE2      HIS  31 -16.366   2.694   7.132
  245    H    ALA  32           H        ALA  32 -18.212  -0.308   0.652
  246    HA   ALA  32           HA       ALA  32 -17.049  -2.848  -0.154
  247   1HB   ALA  32          2HB       ALA  32 -19.647  -1.950  -0.020
  248   2HB   ALA  32          1HB       ALA  32 -19.313  -1.884  -1.749
  249   3HB   ALA  32          3HB       ALA  32 -19.111  -3.399  -0.870
  250    H    ARG  33           H        ARG  33 -17.473  -3.053  -2.776
  251    HA   ARG  33           HA       ARG  33 -15.543  -1.164  -3.915
  252   1HB   ARG  33          2HB       ARG  33 -15.415  -3.805  -3.996
  253   2HB   ARG  33          1HB       ARG  33 -16.482  -3.596  -5.378
  254   1HG   ARG  33          2HG       ARG  33 -14.697  -1.885  -6.167
  255   2HG   ARG  33          1HG       ARG  33 -13.649  -2.735  -5.029
  256   1HD   ARG  33          2HD       ARG  33 -13.387  -3.706  -7.213
  257   2HD   ARG  33          1HD       ARG  33 -14.209  -4.860  -6.165
  258    HE   ARG  33           HE       ARG  33 -16.279  -3.683  -7.359
  259   1HH1  ARG  33          1HH2      ARG  33 -13.294  -4.915  -8.661
  260   2HH1  ARG  33          2HH2      ARG  33 -13.978  -5.314 -10.203
  261   1HH2  ARG  33          2HH1      ARG  33 -17.193  -4.210  -9.388
  262   2HH2  ARG  33          1HH1      ARG  33 -16.192  -4.917 -10.613
  263    H    SER  34           H        SER  34 -18.525  -2.838  -4.905
  264    HA   SER  34           HA       SER  34 -19.730  -0.453  -5.906
  265   1HB   SER  34          2HB       SER  34 -19.799  -1.164  -8.311
  266   2HB   SER  34          1HB       SER  34 -18.189  -0.710  -7.751
  267    HG   SER  34           HG       SER  34 -18.623  -2.825  -8.992
  268    H    GLY  35           H        GLY  35 -21.925  -0.729  -6.019
  269   1HA   GLY  35          2HA       GLY  35 -22.895  -3.524  -5.834
  270   2HA   GLY  35          1HA       GLY  35 -23.555  -2.213  -4.877
  271    H    GLU  36           H        GLU  36 -25.513  -3.110  -5.711
  272    HA   GLU  36           HA       GLU  36 -26.691  -1.485  -7.661
  273   1HB   GLU  36          2HB       GLU  36 -25.262  -3.449  -8.906
  274   2HB   GLU  36          1HB       GLU  36 -26.817  -4.246  -8.733
  275   1HG   GLU  36          2HG       GLU  36 -27.904  -2.390  -9.880
  276   2HG   GLU  36          1HG       GLU  36 -26.344  -1.585 -10.054
  277    H    CYS  37           H        CYS  37 -28.573  -3.762  -8.437
  278    HA   CYS  37           HA       CYS  37 -29.663  -4.527  -5.858
  279   1HB   CYS  37          2HB       CYS  37 -30.616  -2.219  -7.190
  280   2HB   CYS  37          1HB       CYS  37 -31.868  -3.444  -7.359
  281    H    PHE  38           H        PHE  38 -30.800  -6.399  -5.894
  282    HA   PHE  38           HA       PHE  38 -31.761  -7.439  -8.448
  283   1HB   PHE  38          2HB       PHE  38 -29.811  -8.915  -6.667
  284   2HB   PHE  38          1HB       PHE  38 -30.785  -9.715  -7.886
  285    HD1  PHE  38           HD1      PHE  38 -30.549  -7.844 -10.188
  286    HD2  PHE  38           HD2      PHE  38 -27.637  -9.151  -7.362
  287    HE1  PHE  38           HE1      PHE  38 -28.774  -7.435 -11.826
  288    HE2  PHE  38           HE2      PHE  38 -25.862  -8.730  -8.996
  289    HZ   PHE  38           HZ       PHE  38 -26.427  -7.875 -11.237
  290    H    TYR  39           H        TYR  39 -33.253  -9.213  -8.233
  291    HA   TYR  39           HA       TYR  39 -35.024  -8.815  -6.047
  292   1HB   TYR  39          2HB       TYR  39 -35.006 -10.542  -8.470
  293   2HB   TYR  39          1HB       TYR  39 -36.150 -10.901  -7.180
  294    HD1  TYR  39           HD1      TYR  39 -34.956  -8.051  -9.264
  295    HD2  TYR  39           HD2      TYR  39 -38.214  -9.833  -7.181
  296    HE1  TYR  39           HE1      TYR  39 -36.457  -6.315 -10.145
  297    HE2  TYR  39           HE2      TYR  39 -39.726  -8.104  -8.069
  298    HH   TYR  39           HH       TYR  39 -39.899  -6.245  -9.275
  299    H    ASP  40           H        ASP  40 -35.981 -10.749  -4.866
  300    HA   ASP  40           HA       ASP  40 -34.245 -12.957  -4.318
  301   1HB   ASP  40          2HB       ASP  40 -33.736 -12.423  -2.003
  302   2HB   ASP  40          1HB       ASP  40 -33.112 -11.156  -3.054
  303    H    GLU  41           H        GLU  41 -35.159 -13.452  -1.689
  304    HA   GLU  41           HA       GLU  41 -37.557 -14.792  -2.229
  305   1HB   GLU  41          2HB       GLU  41 -37.609 -15.216   0.222
  306   2HB   GLU  41          1HB       GLU  41 -36.058 -15.589  -0.518
  307   1HG   GLU  41          2HG       GLU  41 -35.099 -13.564   0.328
  308   2HG   GLU  41          1HG       GLU  41 -36.667 -13.019   0.920
  309    H    LYS  42           H        LYS  42 -37.058 -11.523  -1.553
  310    HA   LYS  42           HA       LYS  42 -39.667 -11.154  -0.289
  311   1HB   LYS  42          2HB       LYS  42 -37.608  -9.943   0.507
  312   2HB   LYS  42          1HB       LYS  42 -37.632  -9.042  -1.002
  313   1HG   LYS  42          2HG       LYS  42 -39.056  -7.573  -0.110
  314   2HG   LYS  42          1HG       LYS  42 -40.233  -8.863   0.137
  315   1HD   LYS  42          2HD       LYS  42 -37.987  -8.311   2.064
  316   2HD   LYS  42          1HD       LYS  42 -39.569  -7.540   2.189
  317   1HE   LYS  42          2HE       LYS  42 -39.513 -10.495   1.925
  318   2HE   LYS  42          1HE       LYS  42 -38.970  -9.812   3.458
  319   1HZ   LYS  42          1HZ       LYS  42 -41.183  -8.452   3.191
  320   2HZ   LYS  42          3HZ       LYS  42 -41.634  -9.784   2.251
  321   3HZ   LYS  42          2HZ       LYS  42 -41.181 -10.003   3.866
  322    H    ARG  43           H        ARG  43 -38.903 -11.726  -3.317
  323    HA   ARG  43           HA       ARG  43 -39.702 -11.159  -5.362
  324   1HB   ARG  43          2HB       ARG  43 -41.933 -11.324  -5.433
  325   2HB   ARG  43          1HB       ARG  43 -41.800 -11.543  -3.697
  326   1HG   ARG  43          2HG       ARG  43 -42.259  -9.163  -3.367
  327   2HG   ARG  43          1HG       ARG  43 -42.402  -8.958  -5.115
  328   1HD   ARG  43          2HD       ARG  43 -44.599  -9.233  -4.411
  329   2HD   ARG  43          1HD       ARG  43 -44.122 -10.829  -4.995
  330    HE   ARG  43           HE       ARG  43 -43.629 -11.254  -2.515
  331   1HH1  ARG  43          1HH2      ARG  43 -46.209  -9.248  -3.719
  332   2HH1  ARG  43          2HH2      ARG  43 -47.211  -9.480  -2.326
  333   1HH2  ARG  43          2HH1      ARG  43 -44.935 -11.563  -0.679
  334   2HH2  ARG  43          1HH1      ARG  43 -46.486 -10.798  -0.595
  335    H    ASN  44           H        ASN  44 -38.697  -8.907  -3.294
  336    HA   ASN  44           HA       ASN  44 -39.398  -6.608  -4.981
  337   1HB   ASN  44          2HB       ASN  44 -38.102  -6.725  -2.244
  338   2HB   ASN  44          1HB       ASN  44 -38.458  -5.243  -3.129
  339   1HD2  ASN  44          2HD2      ASN  44 -42.032  -6.823  -2.734
  340   2HD2  ASN  44          1HD2      ASN  44 -40.875  -7.207  -3.959
  341    H    LEU  45           H        LEU  45 -36.787  -5.467  -3.633
  342    HA   LEU  45           HA       LEU  45 -34.741  -6.887  -5.078
  343   1HB   LEU  45          2HB       LEU  45 -34.053  -4.562  -6.131
  344   2HB   LEU  45          1HB       LEU  45 -35.118  -5.683  -6.959
  345    HG   LEU  45           HG       LEU  45 -36.148  -3.420  -5.257
  346   1HD1  LEU  45          2HD1      LEU  45 -34.722  -2.527  -7.041
  347   2HD1  LEU  45          1HD1      LEU  45 -35.672  -3.417  -8.233
  348   3HD1  LEU  45          3HD1      LEU  45 -36.425  -2.131  -7.289
  349   1HD2  LEU  45          3HD2      LEU  45 -37.348  -5.524  -6.945
  350   2HD2  LEU  45          2HD2      LEU  45 -38.012  -4.647  -5.566
  351   3HD2  LEU  45          1HD2      LEU  45 -38.013  -3.905  -7.161
  352    H    GLN  46           H        GLN  46 -33.104  -7.017  -3.820
  353    HA   GLN  46           HA       GLN  46 -32.691  -5.019  -1.726
  354   1HB   GLN  46          2HB       GLN  46 -31.749  -7.843  -2.120
  355   2HB   GLN  46          1HB       GLN  46 -30.980  -6.788  -0.942
  356   1HG   GLN  46          2HG       GLN  46 -33.901  -7.512  -0.995
  357   2HG   GLN  46          1HG       GLN  46 -32.683  -8.223   0.065
  358   1HE2  GLN  46          2HE2      GLN  46 -32.368  -4.578   1.289
  359   2HE2  GLN  46          1HE2      GLN  46 -31.451  -5.402   0.079
  360    H    CYS  47           H        CYS  47 -30.663  -4.117  -1.294
  361    HA   CYS  47           HA       CYS  47 -29.152  -3.444  -3.644
  362   1HB   CYS  47          2HB       CYS  47 -29.548  -2.367  -0.998
  363   2HB   CYS  47          1HB       CYS  47 -27.826  -2.448  -1.347
  364    H    ILE  48           H        ILE  48 -27.635  -4.732  -4.428
  365    HA   ILE  48           HA       ILE  48 -26.130  -6.464  -2.593
  366    HB   ILE  48           HB       ILE  48 -25.428  -7.150  -5.249
  367   1HG1  ILE  48          2HG1      ILE  48 -28.052  -7.836  -5.701
  368   2HG1  ILE  48          1HG1      ILE  48 -28.228  -6.215  -5.092
  369   1HG2  ILE  48          1HG2      ILE  48 -25.578  -8.634  -3.288
  370   2HG2  ILE  48          3HG2      ILE  48 -27.338  -8.552  -3.387
  371   3HG2  ILE  48          2HG2      ILE  48 -26.414  -9.277  -4.703
  372   1HD1  ILE  48          1HD1      ILE  48 -26.403  -6.977  -7.343
  373   2HD1  ILE  48          3HD1      ILE  48 -28.030  -6.327  -7.541
  374   3HD1  ILE  48          2HD1      ILE  48 -26.771  -5.357  -6.778
  375    H    CYS  49           H        CYS  49 -24.258  -5.700  -1.911
  376    HA   CYS  49           HA       CYS  49 -22.748  -3.838  -3.594
  377   1HB   CYS  49          2HB       CYS  49 -22.198  -4.501  -0.712
  378   2HB   CYS  49          1HB       CYS  49 -21.640  -3.102  -1.623
  379    H    ASP  50           H        ASP  50 -20.814  -4.269  -4.435
  380    HA   ASP  50           HA       ASP  50 -19.796  -6.992  -4.145
  381   1HB   ASP  50          2HB       ASP  50 -20.221  -5.786  -6.413
  382   2HB   ASP  50          1HB       ASP  50 -18.699  -4.968  -6.075
  383    H    TYR  51           H        TYR  51 -18.308  -7.373  -2.751
  384    HA   TYR  51           HA       TYR  51 -16.475  -5.261  -1.871
  385   1HB   TYR  51          2HB       TYR  51 -17.279  -7.910  -0.681
  386   2HB   TYR  51          1HB       TYR  51 -16.074  -6.844   0.036
  387    HD1  TYR  51           HD1      TYR  51 -19.631  -7.376  -0.620
  388    HD2  TYR  51           HD2      TYR  51 -16.759  -4.765   1.123
  389    HE1  TYR  51           HE1      TYR  51 -21.431  -6.208   0.576
  390    HE2  TYR  51           HE2      TYR  51 -18.555  -3.587   2.325
  391    HH   TYR  51           HH       TYR  51 -21.570  -3.586   1.592
  392    H    CYS  52           H        CYS  52 -15.601  -6.020  -4.248
  393    HA   CYS  52           HA       CYS  52 -13.729  -8.250  -3.925
  394   1HB   CYS  52          2HB       CYS  52 -15.181  -7.101  -6.125
  395   2HB   CYS  52          1HB       CYS  52 -13.467  -7.134  -6.510
  396    H    GLU  53           H        GLU  53 -13.470  -5.501  -2.699
  397    HA   GLU  53           HA       GLU  53 -11.223  -4.294  -4.012
  398   1HB   GLU  53          2HB       GLU  53 -12.857  -2.998  -2.667
  399   2HB   GLU  53          1HB       GLU  53 -12.276  -3.812  -1.220
  400   1HG   GLU  53          2HG       GLU  53 -10.366  -2.596  -1.131
  401   2HG   GLU  53          1HG       GLU  53 -10.238  -2.470  -2.884
  402    H    TYR  54           HN       TYR  54 -11.393  -7.124  -2.475
  403    HA   TYR  54           HA       TYR  54  -8.939  -6.854  -0.911
  404   1HB   TYR  54          2HB       TYR  54 -11.184  -8.759  -1.001
  405   2HB   TYR  54          1HB       TYR  54  -9.611  -9.509  -0.756
  406    HD1  TYR  54           HD2      TYR  54 -12.114  -7.237   0.664
  407    HD2  TYR  54           HD1      TYR  54  -8.356  -9.136   1.277
  408    HE1  TYR  54           HE2      TYR  54 -12.210  -6.645   3.049
  409    HE2  TYR  54           HE1      TYR  54  -8.442  -8.550   3.665
  410    HH   TYR  54           HH       TYR  54  -9.934  -6.395   4.976
   
  No H/Q in entry =         410
  Start of MODEL   25
    1    HN   PCA   1           HN       PCA   1 -23.736 -16.531 -11.126
    2    HA   PCA   1           HA       PCA   1 -22.472 -14.340 -11.340
    3   1HB   PCA   1          1HB       PCA   1 -23.621 -12.705 -12.401
    4   2HB   PCA   1          2HB       PCA   1 -24.698 -12.557 -10.992
    5   1HG   PCA   1          1HG       PCA   1 -25.277 -13.757 -13.545
    6   2HG   PCA   1          2HG       PCA   1 -26.331 -13.687 -12.121
    7    H    ASP   2           H        ASP   2 -21.563 -14.095  -9.403
    8    HA   ASP   2           HA       ASP   2 -22.863 -13.047  -7.150
    9   1HB   ASP   2          2HB       ASP   2 -22.746 -15.098  -5.678
   10   2HB   ASP   2          1HB       ASP   2 -24.000 -15.139  -6.911
   11    H    LYS   3           H        LYS   3 -21.319 -14.316  -5.115
   12    HA   LYS   3           HA       LYS   3 -19.261 -14.343  -4.155
   13   1HB   LYS   3          2HB       LYS   3 -18.019 -14.091  -6.888
   14   2HB   LYS   3          1HB       LYS   3 -17.315 -14.780  -5.435
   15   1HG   LYS   3          2HG       LYS   3 -18.916 -16.635  -5.549
   16   2HG   LYS   3          1HG       LYS   3 -19.583 -15.952  -7.032
   17   1HD   LYS   3          2HD       LYS   3 -17.239 -16.091  -7.988
   18   2HD   LYS   3          1HD       LYS   3 -16.823 -17.067  -6.578
   19   1HE   LYS   3          2HE       LYS   3 -18.308 -18.783  -7.199
   20   2HE   LYS   3          1HE       LYS   3 -19.137 -17.756  -8.366
   21   1HZ   LYS   3          3HZ       LYS   3 -16.291 -18.213  -8.800
   22   2HZ   LYS   3          2HZ       LYS   3 -17.321 -19.528  -9.070
   23   3HZ   LYS   3          1HZ       LYS   3 -17.550 -18.086  -9.923
   24    H    CYS   4           H        CYS   4 -17.655 -12.889  -3.462
   25    HA   CYS   4           HA       CYS   4 -16.951 -10.814  -2.861
   26   1HB   CYS   4          2HB       CYS   4 -16.681 -11.001  -5.790
   27   2HB   CYS   4          1HB       CYS   4 -16.612  -9.363  -5.155
   28    H    LYS   5           H        LYS   5 -19.593 -10.996  -2.419
   29    HA   LYS   5           HA       LYS   5 -20.446  -8.253  -2.870
   30   1HB   LYS   5          2HB       LYS   5 -22.426  -8.680  -3.950
   31   2HB   LYS   5          1HB       LYS   5 -21.409  -9.927  -4.649
   32   1HG   LYS   5          2HG       LYS   5 -23.357 -10.331  -2.382
   33   2HG   LYS   5          1HG       LYS   5 -23.630 -10.753  -4.071
   34   1HD   LYS   5          2HD       LYS   5 -21.662 -12.267  -3.957
   35   2HD   LYS   5          1HD       LYS   5 -21.546 -11.923  -2.232
   36   1HE   LYS   5          2HE       LYS   5 -22.732 -13.994  -2.542
   37   2HE   LYS   5          1HE       LYS   5 -23.853 -12.771  -1.949
   38   1HZ   LYS   5          3HZ       LYS   5 -23.739 -12.872  -4.809
   39   2HZ   LYS   5          2HZ       LYS   5 -24.223 -14.346  -4.135
   40   3HZ   LYS   5          1HZ       LYS   5 -25.081 -12.932  -3.782
   41    H    LYS   6           H        LYS   6 -22.131  -7.551  -1.409
   42    HA   LYS   6           HA       LYS   6 -22.817  -9.327   0.782
   43   1HB   LYS   6          2HB       LYS   6 -21.339  -6.752   1.343
   44   2HB   LYS   6          1HB       LYS   6 -21.887  -7.933   2.523
   45   1HG   LYS   6          2HG       LYS   6 -20.339  -9.587   1.462
   46   2HG   LYS   6          1HG       LYS   6 -19.701  -8.265   0.483
   47   1HD   LYS   6          2HD       LYS   6 -18.909  -7.114   2.412
   48   2HD   LYS   6          1HD       LYS   6 -19.771  -8.208   3.495
   49   1HE   LYS   6          2HE       LYS   6 -18.285  -9.955   3.111
   50   2HE   LYS   6          1HE       LYS   6 -17.696  -9.252   1.605
   51   1HZ   LYS   6          2HZ       LYS   6 -17.031  -7.374   3.411
   52   2HZ   LYS   6          1HZ       LYS   6 -16.830  -8.787   4.318
   53   3HZ   LYS   6          3HZ       LYS   6 -15.988  -8.588   2.863
   54    H    VAL   7           H        VAL   7 -24.944  -9.074   0.855
   55    HA   VAL   7           HA       VAL   7 -26.308  -6.747   0.010
   56    HB   VAL   7           HB       VAL   7 -28.141  -8.039   0.101
   57   1HG1  VAL   7          3HG1      VAL   7 -26.257  -9.653  -0.434
   58   2HG1  VAL   7          2HG1      VAL   7 -26.450 -10.249   1.214
   59   3HG1  VAL   7          1HG1      VAL   7 -27.793 -10.352   0.077
   60   1HG2  VAL   7          2HG2      VAL   7 -27.404  -8.671   2.957
   61   2HG2  VAL   7          1HG2      VAL   7 -28.661  -7.576   2.380
   62   3HG2  VAL   7          3HG2      VAL   7 -28.835  -9.316   2.153
   63    H    TYR   8           H        TYR   8 -27.360  -5.138   1.156
   64    HA   TYR   8           HA       TYR   8 -26.131  -4.286   3.546
   65   1HB   TYR   8          2HB       TYR   8 -27.418  -2.901   1.775
   66   2HB   TYR   8          1HB       TYR   8 -28.851  -3.350   2.688
   67    HD1  TYR   8           HD2      TYR   8 -28.409  -3.013   5.382
   68    HD2  TYR   8           HD1      TYR   8 -26.596  -0.814   2.225
   69    HE1  TYR   8           HE2      TYR   8 -27.994  -1.154   6.927
   70    HE2  TYR   8           HE1      TYR   8 -26.176   1.060   3.764
   71    HH   TYR   8           HH       TYR   8 -27.043   0.836   7.202
   72    H    GLU   9           H        GLU   9 -29.537  -4.885   3.149
   73    HA   GLU   9           HA       GLU   9 -30.860  -6.489   4.202
   74   1HB   GLU   9          2HB       GLU   9 -30.241  -7.736   6.038
   75   2HB   GLU   9          1HB       GLU   9 -28.712  -7.471   5.227
   76   1HG   GLU   9          2HG       GLU   9 -28.047  -7.003   7.337
   77   2HG   GLU   9          1HG       GLU   9 -28.647  -5.400   6.937
   78    H    ASN  10           H        ASN  10 -32.363  -4.913   4.185
   79    HA   ASN  10           HA       ASN  10 -34.086  -4.020   5.542
   80   1HB   ASN  10          2HB       ASN  10 -32.719  -4.409   7.640
   81   2HB   ASN  10          1HB       ASN  10 -31.969  -2.840   7.341
   82   1HD2  ASN  10          2HD2      ASN  10 -35.839  -3.095   8.593
   83   2HD2  ASN  10          1HD2      ASN  10 -35.041  -4.457   7.891
   84    H    TYR  11           H        TYR  11 -31.361  -2.738   4.041
   85    HA   TYR  11           HA       TYR  11 -31.678  -0.007   4.199
   86   1HB   TYR  11          2HB       TYR  11 -29.848  -1.245   2.996
   87   2HB   TYR  11          1HB       TYR  11 -30.974  -1.480   1.661
   88    HD1  TYR  11           HD2      TYR  11 -29.424   1.199   3.733
   89    HD2  TYR  11           HD1      TYR  11 -31.133   0.132  -0.014
   90    HE1  TYR  11           HE2      TYR  11 -28.800   3.400   2.830
   91    HE2  TYR  11           HE1      TYR  11 -30.515   2.330  -0.929
   92    HH   TYR  11           HH       TYR  11 -28.998   4.135  -0.526
   93    HA   PRO  12           HA       PRO  12 -35.956   0.467   2.743
   94   1HB   PRO  12          2HB       PRO  12 -34.782   3.166   2.174
   95   2HB   PRO  12          1HB       PRO  12 -36.345   2.752   2.889
   96   1HG   PRO  12          2HG       PRO  12 -34.315   3.551   4.417
   97   2HG   PRO  12          1HG       PRO  12 -35.424   2.280   4.961
   98   1HD   PRO  12          2HD       PRO  12 -32.614   2.070   4.037
   99   2HD   PRO  12          1HD       PRO  12 -33.520   1.026   5.150
  100    H    VAL  13           H        VAL  13 -36.300  -0.535   0.844
  101    HA   VAL  13           HA       VAL  13 -34.706  -0.507  -1.410
  102    HB   VAL  13           HB       VAL  13 -37.699  -0.872  -1.242
  103   1HG1  VAL  13          2HG1      VAL  13 -35.790  -1.109  -3.523
  104   2HG1  VAL  13          1HG1      VAL  13 -37.172  -2.201  -3.429
  105   3HG1  VAL  13          3HG1      VAL  13 -37.428  -0.458  -3.490
  106   1HG2  VAL  13          2HG2      VAL  13 -36.354  -2.478   0.057
  107   2HG2  VAL  13          1HG2      VAL  13 -37.197  -3.243  -1.291
  108   3HG2  VAL  13          3HG2      VAL  13 -35.472  -2.901  -1.411
  109    H    SER  14           H        SER  14 -37.853   1.138  -1.284
  110    HA   SER  14           HA       SER  14 -38.596   2.740  -2.839
  111   1HB   SER  14          2HB       SER  14 -37.801   4.963  -1.913
  112   2HB   SER  14          1HB       SER  14 -38.489   3.850  -0.732
  113    HG   SER  14           HG       SER  14 -36.620   3.728   0.227
  114    H    LYS  15           H        LYS  15 -35.632   4.452  -2.339
  115    HA   LYS  15           HA       LYS  15 -35.273   4.890  -5.126
  116   1HB   LYS  15          2HB       LYS  15 -34.595   6.576  -3.511
  117   2HB   LYS  15          1HB       LYS  15 -33.450   5.461  -2.782
  118   1HG   LYS  15          2HG       LYS  15 -32.214   6.966  -4.134
  119   2HG   LYS  15          1HG       LYS  15 -32.229   5.411  -4.965
  120   1HD   LYS  15          2HD       LYS  15 -32.603   7.292  -6.502
  121   2HD   LYS  15          1HD       LYS  15 -33.981   6.195  -6.454
  122   1HE   LYS  15          2HE       LYS  15 -35.326   7.712  -5.391
  123   2HE   LYS  15          1HE       LYS  15 -33.974   8.521  -4.601
  124   1HZ   LYS  15          1HZ       LYS  15 -34.169   8.707  -7.514
  125   2HZ   LYS  15          3HZ       LYS  15 -35.257   9.618  -6.593
  126   3HZ   LYS  15          2HZ       LYS  15 -33.591   9.837  -6.398
  127    H    CYS  16           H        CYS  16 -34.641   3.295  -6.447
  128    HA   CYS  16           HA       CYS  16 -32.088   2.127  -6.226
  129   1HB   CYS  16          2HB       CYS  16 -34.145   0.795  -4.758
  130   2HB   CYS  16          1HB       CYS  16 -33.675  -0.248  -6.091
  131    H    GLN  17           H        GLN  17 -32.923   3.435  -8.270
  132    HA   GLN  17           HA       GLN  17 -33.337   1.416 -10.346
  133   1HB   GLN  17          2HB       GLN  17 -34.860   4.023 -10.335
  134   2HB   GLN  17          1HB       GLN  17 -35.030   2.693 -11.473
  135   1HG   GLN  17          2HG       GLN  17 -35.618   1.359  -9.269
  136   2HG   GLN  17          1HG       GLN  17 -36.059   2.969  -8.705
  137   1HE2  GLN  17          2HE2      GLN  17 -39.143   1.690 -10.045
  138   2HE2  GLN  17          1HE2      GLN  17 -38.119   1.528  -8.664
  139    H    LEU  18           H        LEU  18 -31.133   3.178  -9.295
  140    HA   LEU  18           HA       LEU  18 -29.949   3.832 -11.785
  141   1HB   LEU  18          2HB       LEU  18 -31.361   5.933 -10.309
  142   2HB   LEU  18          1HB       LEU  18 -29.696   6.351 -10.666
  143    HG   LEU  18           HG       LEU  18 -31.353   5.272 -12.881
  144   1HD1  LEU  18          2HD1      LEU  18 -31.637   8.045 -11.749
  145   2HD1  LEU  18          1HD1      LEU  18 -32.140   7.593 -13.377
  146   3HD1  LEU  18          3HD1      LEU  18 -32.904   6.840 -11.978
  147   1HD2  LEU  18          3HD2      LEU  18 -29.214   7.383 -12.676
  148   2HD2  LEU  18          2HD2      LEU  18 -29.025   5.741 -13.292
  149   3HD2  LEU  18          1HD2      LEU  18 -30.020   6.902 -14.170
  150    H    ALA  19           H        ALA  19 -27.849   3.489 -11.556
  151    HA   ALA  19           HA       ALA  19 -26.644   2.771  -9.153
  152   1HB   ALA  19          1HB       ALA  19 -25.634   3.461 -11.866
  153   2HB   ALA  19          3HB       ALA  19 -24.477   3.305 -10.543
  154   3HB   ALA  19          2HB       ALA  19 -25.519   1.946 -10.968
  155    H    ASN  20           H        ASN  20 -26.710   4.184  -7.480
  156    HA   ASN  20           HA       ASN  20 -24.794   6.225  -7.330
  157   1HB   ASN  20          2HB       ASN  20 -26.383   7.457  -8.769
  158   2HB   ASN  20          1HB       ASN  20 -27.637   7.241  -7.552
  159   1HD2  ASN  20          2HD2      ASN  20 -24.877   9.267  -5.592
  160   2HD2  ASN  20          1HD2      ASN  20 -24.871   7.561  -5.865
  161    H    GLN  21           H        GLN  21 -28.112   5.995  -6.053
  162    HA   GLN  21           HA       GLN  21 -27.590   6.621  -3.438
  163   1HB   GLN  21          2HB       GLN  21 -29.852   6.401  -4.177
  164   2HB   GLN  21          1HB       GLN  21 -29.618   4.711  -4.599
  165   1HG   GLN  21          2HG       GLN  21 -30.907   4.922  -2.564
  166   2HG   GLN  21          1HG       GLN  21 -29.356   4.150  -2.243
  167   1HE2  GLN  21          2HE2      GLN  21 -28.051   6.915  -0.416
  168   2HE2  GLN  21          1HE2      GLN  21 -27.606   5.677  -1.536
  169    H    CYS  22           H        CYS  22 -28.218   3.236  -4.339
  170    HA   CYS  22           HA       CYS  22 -26.996   2.132  -2.084
  171   1HB   CYS  22          2HB       CYS  22 -28.574   1.052  -3.841
  172   2HB   CYS  22          1HB       CYS  22 -27.089   0.674  -4.708
  173    H    ASN  23           H        ASN  23 -25.688   2.819  -5.292
  174    HA   ASN  23           HA       ASN  23 -23.246   1.531  -5.122
  175   1HB   ASN  23          2HB       ASN  23 -24.338   2.915  -7.057
  176   2HB   ASN  23          1HB       ASN  23 -23.422   4.252  -6.369
  177   1HD2  ASN  23          2HD2      ASN  23 -20.948   3.242  -8.622
  178   2HD2  ASN  23          1HD2      ASN  23 -22.211   4.372  -8.287
  179    H    TYR  24           H        TYR  24 -23.625   5.038  -4.621
  180    HA   TYR  24           HA       TYR  24 -21.171   5.490  -3.448
  181   1HB   TYR  24          2HB       TYR  24 -22.049   7.550  -3.735
  182   2HB   TYR  24          1HB       TYR  24 -23.691   6.929  -3.699
  183    HD1  TYR  24           HD1      TYR  24 -20.993   7.133  -1.129
  184    HD2  TYR  24           HD2      TYR  24 -24.967   8.163  -2.241
  185    HE1  TYR  24           HE1      TYR  24 -21.328   8.177   1.067
  186    HE2  TYR  24           HE2      TYR  24 -25.314   9.210  -0.044
  187    HH   TYR  24           HH       TYR  24 -23.708  10.282   1.761
  188    H    ASP  25           H        ASP  25 -24.226   4.615  -1.856
  189    HA   ASP  25           HA       ASP  25 -23.435   4.783   0.780
  190   1HB   ASP  25          2HB       ASP  25 -25.471   3.240  -0.706
  191   2HB   ASP  25          1HB       ASP  25 -25.016   2.548   0.848
  192    H    CYS  26           H        CYS  26 -23.397   1.740  -1.113
  193    HA   CYS  26           HA       CYS  26 -21.869   0.287   0.704
  194   1HB   CYS  26          2HB       CYS  26 -21.907   0.047  -2.317
  195   2HB   CYS  26          1HB       CYS  26 -21.249  -1.155  -1.218
  196    H    LYS  27           H        LYS  27 -20.947   2.591  -1.752
  197    HA   LYS  27           HA       LYS  27 -18.196   2.085  -1.847
  198   1HB   LYS  27          2HB       LYS  27 -19.765   3.621  -3.302
  199   2HB   LYS  27          1HB       LYS  27 -19.266   4.862  -2.166
  200   1HG   LYS  27          2HG       LYS  27 -17.251   5.087  -3.127
  201   2HG   LYS  27          1HG       LYS  27 -17.001   3.347  -3.220
  202   1HD   LYS  27          2HD       LYS  27 -18.295   3.217  -5.249
  203   2HD   LYS  27          1HD       LYS  27 -18.736   4.921  -5.119
  204   1HE   LYS  27          2HE       LYS  27 -16.456   5.594  -5.469
  205   2HE   LYS  27          1HE       LYS  27 -15.909   3.919  -5.409
  206   1HZ   LYS  27          1HZ       LYS  27 -17.912   4.190  -7.373
  207   2HZ   LYS  27          3HZ       LYS  27 -16.717   5.359  -7.640
  208   3HZ   LYS  27          2HZ       LYS  27 -16.298   3.722  -7.566
  209    H    LEU  28           H        LEU  28 -19.843   2.841   0.858
  210    HA   LEU  28           HA       LEU  28 -17.472   3.706   2.220
  211   1HB   LEU  28          2HB       LEU  28 -18.661   5.772   1.088
  212   2HB   LEU  28          1HB       LEU  28 -19.715   5.653   2.485
  213    HG   LEU  28           HG       LEU  28 -17.316   5.588   3.729
  214   1HD1  LEU  28          3HD1      LEU  28 -16.070   5.820   1.634
  215   2HD1  LEU  28          2HD1      LEU  28 -16.893   7.348   1.320
  216   3HD1  LEU  28          1HD1      LEU  28 -15.814   7.198   2.706
  217   1HD2  LEU  28          1HD2      LEU  28 -18.782   8.077   2.860
  218   2HD2  LEU  28          3HD2      LEU  28 -19.160   7.085   4.269
  219   3HD2  LEU  28          2HD2      LEU  28 -17.635   7.969   4.196
  220    H    ASP  29           H        ASP  29 -20.862   2.907   2.245
  221    HA   ASP  29           HA       ASP  29 -21.202   2.937   5.069
  222   1HB   ASP  29          2HB       ASP  29 -22.747   1.769   2.777
  223   2HB   ASP  29          1HB       ASP  29 -23.167   1.331   4.430
  224    H    LYS  30           H        LYS  30 -19.979   0.594   2.795
  225    HA   LYS  30           HA       LYS  30 -19.235  -1.136   5.036
  226   1HB   LYS  30          2HB       LYS  30 -20.893  -1.936   2.668
  227   2HB   LYS  30          1HB       LYS  30 -19.829  -3.108   3.431
  228   1HG   LYS  30          2HG       LYS  30 -20.981  -2.917   5.508
  229   2HG   LYS  30          1HG       LYS  30 -21.931  -1.553   4.917
  230   1HD   LYS  30          2HD       LYS  30 -22.076  -4.087   3.374
  231   2HD   LYS  30          1HD       LYS  30 -22.872  -4.054   4.949
  232   1HE   LYS  30          2HE       LYS  30 -24.151  -3.343   2.763
  233   2HE   LYS  30          1HE       LYS  30 -24.418  -2.501   4.288
  234   1HZ   LYS  30          1HZ       LYS  30 -22.357  -1.129   3.241
  235   2HZ   LYS  30          3HZ       LYS  30 -23.217  -1.547   1.844
  236   3HZ   LYS  30          2HZ       LYS  30 -23.981  -0.686   3.083
  237    H    HIS  31           H        HIS  31 -17.615   0.654   3.635
  238    HA   HIS  31           HA       HIS  31 -15.830   0.819   2.161
  239   1HB   HIS  31          2HB       HIS  31 -14.816  -1.682   3.439
  240   2HB   HIS  31          1HB       HIS  31 -13.994  -0.151   3.167
  241    HD1  HIS  31           HD1      HIS  31 -14.945  -2.078   5.863
  242    HD2  HIS  31           HD2      HIS  31 -15.594   1.916   4.922
  243    HE1  HIS  31           HE1      HIS  31 -15.428  -0.943   8.052
  244    HE2  HIS  31           HE2      HIS  31 -15.699   1.492   7.472
  245    H    ALA  32           H        ALA  32 -17.828  -0.406   0.715
  246    HA   ALA  32           HA       ALA  32 -16.725  -2.819  -0.476
  247   1HB   ALA  32          3HB       ALA  32 -19.285  -2.042  -0.039
  248   2HB   ALA  32          2HB       ALA  32 -19.089  -1.587  -1.731
  249   3HB   ALA  32          1HB       ALA  32 -18.810  -3.255  -1.228
  250    H    ARG  33           H        ARG  33 -17.095  -2.815  -3.024
  251    HA   ARG  33           HA       ARG  33 -15.379  -0.674  -4.045
  252   1HB   ARG  33          2HB       ARG  33 -14.653  -2.963  -4.496
  253   2HB   ARG  33          1HB       ARG  33 -16.197  -3.327  -5.254
  254   1HG   ARG  33          2HG       ARG  33 -15.730  -1.987  -7.117
  255   2HG   ARG  33          1HG       ARG  33 -14.401  -1.163  -6.298
  256   1HD   ARG  33          2HD       ARG  33 -14.471  -4.033  -7.219
  257   2HD   ARG  33          1HD       ARG  33 -13.499  -2.727  -7.894
  258    HE   ARG  33           HE       ARG  33 -12.809  -4.358  -5.708
  259   1HH1  ARG  33          1HH2      ARG  33 -12.703  -1.026  -6.723
  260   2HH1  ARG  33          2HH2      ARG  33 -11.314  -0.644  -5.761
  261   1HH2  ARG  33          2HH1      ARG  33 -10.982  -3.861  -4.437
  262   2HH2  ARG  33          1HH1      ARG  33 -10.340  -2.251  -4.459
  263    H    SER  34           H        SER  34 -18.600  -1.797  -4.077
  264    HA   SER  34           HA       SER  34 -19.674   0.445  -5.315
  265   1HB   SER  34          2HB       SER  34 -20.496  -0.877  -7.443
  266   2HB   SER  34          1HB       SER  34 -18.924  -0.077  -7.448
  267    HG   SER  34           HG       SER  34 -17.993  -2.097  -6.896
  268    H    GLY  35           H        GLY  35 -22.017  -0.292  -6.313
  269   1HA   GLY  35          2HA       GLY  35 -23.146  -2.540  -4.909
  270   2HA   GLY  35          1HA       GLY  35 -23.607  -0.989  -4.224
  271    H    GLU  36           H        GLU  36 -25.548  -2.630  -5.142
  272    HA   GLU  36           HA       GLU  36 -26.959  -1.007  -6.924
  273   1HB   GLU  36          2HB       GLU  36 -25.153  -2.786  -8.224
  274   2HB   GLU  36          1HB       GLU  36 -26.779  -3.375  -8.539
  275   1HG   GLU  36          2HG       GLU  36 -25.690  -0.635  -9.137
  276   2HG   GLU  36          1HG       GLU  36 -26.128  -1.892 -10.294
  277    H    CYS  37           H        CYS  37 -29.087  -1.850  -7.418
  278    HA   CYS  37           HA       CYS  37 -29.982  -3.657  -5.330
  279   1HB   CYS  37          2HB       CYS  37 -31.092  -1.426  -6.768
  280   2HB   CYS  37          1HB       CYS  37 -32.193  -2.796  -6.866
  281    H    PHE  38           H        PHE  38 -29.804  -5.766  -5.791
  282    HA   PHE  38           HA       PHE  38 -30.600  -6.702  -8.479
  283   1HB   PHE  38          2HB       PHE  38 -28.677  -7.717  -6.433
  284   2HB   PHE  38          1HB       PHE  38 -29.410  -8.861  -7.551
  285    HD1  PHE  38           HD1      PHE  38 -27.156  -6.001  -7.213
  286    HD2  PHE  38           HD2      PHE  38 -28.847  -8.839  -9.891
  287    HE1  PHE  38           HE1      PHE  38 -25.481  -5.390  -8.906
  288    HE2  PHE  38           HE2      PHE  38 -27.176  -8.233 -11.593
  289    HZ   PHE  38           HZ       PHE  38 -25.489  -6.507 -11.100
  290    H    TYR  39           H        TYR  39 -31.966  -8.538  -8.672
  291    HA   TYR  39           HA       TYR  39 -33.961  -8.675  -6.601
  292   1HB   TYR  39          2HB       TYR  39 -33.892 -10.383  -9.076
  293   2HB   TYR  39          1HB       TYR  39 -35.290  -9.897  -8.126
  294    HD1  TYR  39           HD1      TYR  39 -32.766  -8.735 -10.555
  295    HD2  TYR  39           HD2      TYR  39 -36.384  -7.811  -8.513
  296    HE1  TYR  39           HE1      TYR  39 -33.131  -6.833 -12.072
  297    HE2  TYR  39           HE2      TYR  39 -36.759  -5.909 -10.027
  298    HH   TYR  39           HH       TYR  39 -35.776  -5.453 -12.688
  299    H    ASP  40           H        ASP  40 -34.915 -11.021  -6.254
  300    HA   ASP  40           HA       ASP  40 -33.075 -13.179  -6.107
  301   1HB   ASP  40          2HB       ASP  40 -33.060 -13.290  -3.567
  302   2HB   ASP  40          1HB       ASP  40 -32.049 -12.040  -4.285
  303    H    GLU  41           H        GLU  41 -34.630 -14.384  -6.976
  304    HA   GLU  41           HA       GLU  41 -36.739 -15.291  -7.264
  305   1HB   GLU  41          2HB       GLU  41 -35.141 -16.782  -5.890
  306   2HB   GLU  41          1HB       GLU  41 -36.180 -16.387  -4.528
  307   1HG   GLU  41          2HG       GLU  41 -38.029 -17.462  -5.483
  308   2HG   GLU  41          1HG       GLU  41 -37.276 -17.520  -7.077
  309    H    LYS  42           H        LYS  42 -37.032 -12.661  -6.071
  310    HA   LYS  42           HA       LYS  42 -39.646 -13.074  -4.850
  311   1HB   LYS  42          2HB       LYS  42 -37.342 -11.715  -3.508
  312   2HB   LYS  42          1HB       LYS  42 -38.991 -11.200  -3.171
  313   1HG   LYS  42          2HG       LYS  42 -39.571 -13.285  -2.262
  314   2HG   LYS  42          1HG       LYS  42 -38.129 -14.059  -2.919
  315   1HD   LYS  42          2HD       LYS  42 -38.088 -13.542  -0.448
  316   2HD   LYS  42          1HD       LYS  42 -36.717 -12.960  -1.394
  317   1HE   LYS  42          2HE       LYS  42 -37.582 -11.297   0.237
  318   2HE   LYS  42          1HE       LYS  42 -37.607 -10.735  -1.434
  319   1HZ   LYS  42          1HZ       LYS  42 -40.044 -12.035  -0.707
  320   2HZ   LYS  42          3HZ       LYS  42 -39.714 -10.723   0.310
  321   3HZ   LYS  42          2HZ       LYS  42 -39.803 -10.495  -1.363
  322    H    ARG  43           H        ARG  43 -37.807 -11.596  -7.100
  323    HA   ARG  43           HA       ARG  43 -38.101  -9.840  -8.514
  324   1HB   ARG  43          2HB       ARG  43 -40.863  -9.724  -7.286
  325   2HB   ARG  43          1HB       ARG  43 -40.367  -8.906  -8.756
  326   1HG   ARG  43          2HG       ARG  43 -40.061 -11.867  -8.560
  327   2HG   ARG  43          1HG       ARG  43 -41.654 -11.175  -8.866
  328   1HD   ARG  43          2HD       ARG  43 -40.571  -9.891 -10.772
  329   2HD   ARG  43          1HD       ARG  43 -39.164 -10.930 -10.541
  330    HE   ARG  43           HE       ARG  43 -41.546 -12.454 -10.820
  331   1HH1  ARG  43          1HH2      ARG  43 -39.180 -10.644 -12.633
  332   2HH1  ARG  43          2HH2      ARG  43 -39.458 -11.518 -14.102
  333   1HH2  ARG  43          2HH1      ARG  43 -41.912 -13.602 -12.747
  334   2HH2  ARG  43          1HH1      ARG  43 -41.011 -13.194 -14.169
  335    H    ASN  44           H        ASN  44 -37.885  -9.587  -5.296
  336    HA   ASN  44           HA       ASN  44 -38.227  -6.694  -5.115
  337   1HB   ASN  44          2HB       ASN  44 -37.249  -8.525  -2.925
  338   2HB   ASN  44          1HB       ASN  44 -37.993  -6.937  -2.763
  339   1HD2  ASN  44          2HD2      ASN  44 -41.097  -8.742  -4.115
  340   2HD2  ASN  44          1HD2      ASN  44 -39.921  -7.790  -4.949
  341    H    LEU  45           H        LEU  45 -36.571  -5.277  -5.112
  342    HA   LEU  45           HA       LEU  45 -33.948  -6.309  -5.771
  343   1HB   LEU  45          2HB       LEU  45 -33.924  -3.458  -5.563
  344   2HB   LEU  45          1HB       LEU  45 -33.809  -4.451  -7.000
  345    HG   LEU  45           HG       LEU  45 -36.456  -3.706  -5.776
  346   1HD1  LEU  45          2HD1      LEU  45 -34.722  -2.178  -7.686
  347   2HD1  LEU  45          1HD1      LEU  45 -36.476  -2.000  -7.681
  348   3HD1  LEU  45          3HD1      LEU  45 -35.545  -1.605  -6.236
  349   1HD2  LEU  45          1HD2      LEU  45 -36.429  -5.595  -7.341
  350   2HD2  LEU  45          3HD2      LEU  45 -37.286  -4.205  -8.010
  351   3HD2  LEU  45          2HD2      LEU  45 -35.648  -4.571  -8.547
  352    H    GLN  46           H        GLN  46 -32.467  -6.731  -4.331
  353    HA   GLN  46           HA       GLN  46 -32.508  -5.391  -1.722
  354   1HB   GLN  46          2HB       GLN  46 -32.116  -8.080  -2.491
  355   2HB   GLN  46          1HB       GLN  46 -30.548  -7.519  -1.929
  356   1HG   GLN  46          2HG       GLN  46 -31.490  -6.870   0.190
  357   2HG   GLN  46          1HG       GLN  46 -33.111  -7.282  -0.368
  358   1HE2  GLN  46          2HE2      GLN  46 -32.513 -10.253   1.404
  359   2HE2  GLN  46          1HE2      GLN  46 -33.253  -8.692   1.445
  360    H    CYS  47           H        CYS  47 -30.747  -4.235  -0.969
  361    HA   CYS  47           HA       CYS  47 -29.033  -3.101  -2.944
  362   1HB   CYS  47          2HB       CYS  47 -29.814  -2.493  -0.260
  363   2HB   CYS  47          1HB       CYS  47 -28.057  -2.461  -0.345
  364    H    ILE  48           H        ILE  48 -27.701  -4.618  -3.832
  365    HA   ILE  48           HA       ILE  48 -26.005  -6.241  -2.120
  366    HB   ILE  48           HB       ILE  48 -26.292  -6.155  -5.117
  367   1HG1  ILE  48          2HG1      ILE  48 -27.340  -7.923  -2.924
  368   2HG1  ILE  48          1HG1      ILE  48 -28.222  -7.158  -4.238
  369   1HG2  ILE  48          3HG2      ILE  48 -24.606  -7.991  -3.414
  370   2HG2  ILE  48          2HG2      ILE  48 -24.884  -8.175  -5.145
  371   3HG2  ILE  48          1HG2      ILE  48 -24.006  -6.776  -4.543
  372   1HD1  ILE  48          3HD1      ILE  48 -26.786  -8.750  -5.730
  373   2HD1  ILE  48          2HD1      ILE  48 -26.622  -9.663  -4.231
  374   3HD1  ILE  48          1HD1      ILE  48 -28.223  -9.344  -4.899
  375    H    CYS  49           H        CYS  49 -24.081  -5.584  -1.452
  376    HA   CYS  49           HA       CYS  49 -22.781  -3.338  -2.801
  377   1HB   CYS  49          2HB       CYS  49 -22.131  -4.758  -0.208
  378   2HB   CYS  49          1HB       CYS  49 -21.243  -3.380  -0.838
  379    H    ASP  50           H        ASP  50 -21.394  -3.802  -4.398
  380    HA   ASP  50           HA       ASP  50 -20.151  -6.432  -4.521
  381   1HB   ASP  50          2HB       ASP  50 -19.914  -4.185  -6.524
  382   2HB   ASP  50          1HB       ASP  50 -19.583  -5.895  -6.785
  383    H    TYR  51           H        TYR  51 -18.051  -6.864  -4.241
  384    HA   TYR  51           HA       TYR  51 -16.308  -4.639  -3.405
  385   1HB   TYR  51          2HB       TYR  51 -16.468  -7.525  -2.619
  386   2HB   TYR  51          1HB       TYR  51 -14.998  -6.600  -2.340
  387    HD1  TYR  51           HD2      TYR  51 -18.681  -6.147  -1.829
  388    HD2  TYR  51           HD1      TYR  51 -14.764  -5.743  -0.220
  389    HE1  TYR  51           HE2      TYR  51 -19.638  -5.285   0.265
  390    HE2  TYR  51           HE1      TYR  51 -15.711  -4.882   1.881
  391    HH   TYR  51           HH       TYR  51 -17.661  -4.731   3.096
  392    H    CYS  52           H        CYS  52 -16.652  -7.192  -5.732
  393    HA   CYS  52           HA       CYS  52 -14.067  -6.415  -6.888
  394   1HB   CYS  52          2HB       CYS  52 -14.829  -9.307  -6.913
  395   2HB   CYS  52          1HB       CYS  52 -13.240  -8.566  -7.063
  396    H    GLU  53           H        GLU  53 -17.218  -7.925  -7.337
  397    HA   GLU  53           HA       GLU  53 -18.296  -8.573  -9.278
  398   1HB   GLU  53          2HB       GLU  53 -18.447  -6.456 -10.836
  399   2HB   GLU  53          1HB       GLU  53 -19.223  -6.469  -9.262
  400   1HG   GLU  53          2HG       GLU  53 -17.542  -5.114  -8.310
  401   2HG   GLU  53          1HG       GLU  53 -16.477  -5.334  -9.695
  402    H    TYR  54           HN       TYR  54 -16.376  -6.317 -11.090
  403    HA   TYR  54           HA       TYR  54 -14.425  -8.099 -12.064
  404   1HB   TYR  54          2HB       TYR  54 -17.009  -7.958 -13.519
  405   2HB   TYR  54          1HB       TYR  54 -15.547  -7.914 -14.501
  406    HD1  TYR  54           HD2      TYR  54 -13.820  -9.769 -14.110
  407    HD2  TYR  54           HD1      TYR  54 -17.843  -9.990 -12.760
  408    HE1  TYR  54           HE2      TYR  54 -13.620 -12.214 -13.954
  409    HE2  TYR  54           HE1      TYR  54 -17.661 -12.442 -12.599
  410    HH   TYR  54           HH       TYR  54 -14.640 -14.077 -12.867
   
  No H/Q in entry =         410
  Start of MODEL   26
    1    HN   PCA   1           HN       PCA   1 -25.284 -15.789  -1.316
    2    HA   PCA   1           HA       PCA   1 -23.181 -17.066  -1.987
    3   1HB   PCA   1          1HB       PCA   1 -22.782 -17.161  -4.212
    4   2HB   PCA   1          2HB       PCA   1 -22.510 -15.404  -4.257
    5   1HG   PCA   1          1HG       PCA   1 -24.849 -16.887  -5.113
    6   2HG   PCA   1          2HG       PCA   1 -24.576 -15.136  -5.190
    7    H    ASP   2           H        ASP   2 -20.909 -15.899  -2.395
    8    HA   ASP   2           HA       ASP   2 -20.938 -13.268  -1.074
    9   1HB   ASP   2          2HB       ASP   2 -19.095 -15.563  -0.351
   10   2HB   ASP   2          1HB       ASP   2 -19.064 -13.948   0.352
   11    H    LYS   3           H        LYS   3 -17.843 -14.313  -1.122
   12    HA   LYS   3           HA       LYS   3 -16.012 -13.824  -2.370
   13   1HB   LYS   3          2HB       LYS   3 -18.013 -14.449  -4.526
   14   2HB   LYS   3          1HB       LYS   3 -16.372 -13.962  -4.922
   15   1HG   LYS   3          2HG       LYS   3 -15.447 -15.884  -4.017
   16   2HG   LYS   3          1HG       LYS   3 -16.872 -16.225  -3.031
   17   1HD   LYS   3          2HD       LYS   3 -16.820 -16.341  -6.047
   18   2HD   LYS   3          1HD       LYS   3 -16.597 -17.740  -4.996
   19   1HE   LYS   3          2HE       LYS   3 -18.880 -16.792  -3.964
   20   2HE   LYS   3          1HE       LYS   3 -19.050 -16.198  -5.616
   21   1HZ   LYS   3          1HZ       LYS   3 -18.178 -18.906  -5.571
   22   2HZ   LYS   3          3HZ       LYS   3 -19.625 -18.725  -4.714
   23   3HZ   LYS   3          2HZ       LYS   3 -19.530 -18.230  -6.328
   24    H    CYS   4           H        CYS   4 -16.062 -11.677  -1.486
   25    HA   CYS   4           HA       CYS   4 -15.773  -9.440  -1.680
   26   1HB   CYS   4          2HB       CYS   4 -15.361 -10.455  -4.342
   27   2HB   CYS   4          1HB       CYS   4 -16.110  -8.865  -4.429
   28    H    LYS   5           H        LYS   5 -18.526 -10.768  -3.462
   29    HA   LYS   5           HA       LYS   5 -19.953  -8.239  -3.145
   30   1HB   LYS   5          2HB       LYS   5 -21.648  -9.202  -4.593
   31   2HB   LYS   5          1HB       LYS   5 -20.053  -9.276  -5.326
   32   1HG   LYS   5          2HG       LYS   5 -19.885 -11.587  -4.990
   33   2HG   LYS   5          1HG       LYS   5 -21.247 -11.605  -3.865
   34   1HD   LYS   5          2HD       LYS   5 -22.745 -10.953  -5.667
   35   2HD   LYS   5          1HD       LYS   5 -21.386 -10.934  -6.789
   36   1HE   LYS   5          2HE       LYS   5 -22.562 -13.308  -5.358
   37   2HE   LYS   5          1HE       LYS   5 -22.526 -13.006  -7.094
   38   1HZ   LYS   5          2HZ       LYS   5 -19.976 -12.998  -6.719
   39   2HZ   LYS   5          1HZ       LYS   5 -20.349 -13.865  -5.317
   40   3HZ   LYS   5          3HZ       LYS   5 -20.800 -14.470  -6.832
   41    H    LYS   6           H        LYS   6 -21.536  -7.878  -1.744
   42    HA   LYS   6           HA       LYS   6 -22.869 -10.111  -0.429
   43   1HB   LYS   6          2HB       LYS   6 -21.627  -7.918   1.227
   44   2HB   LYS   6          1HB       LYS   6 -22.392  -9.395   1.794
   45   1HG   LYS   6          2HG       LYS   6 -20.573 -10.723   0.975
   46   2HG   LYS   6          1HG       LYS   6 -19.844  -9.317   0.194
   47   1HD   LYS   6          2HD       LYS   6 -19.531  -8.268   2.382
   48   2HD   LYS   6          1HD       LYS   6 -20.246  -9.680   3.161
   49   1HE   LYS   6          2HE       LYS   6 -18.401 -10.979   2.806
   50   2HE   LYS   6          1HE       LYS   6 -17.952 -10.129   1.328
   51   1HZ   LYS   6          2HZ       LYS   6 -17.763  -8.757   3.927
   52   2HZ   LYS   6          1HZ       LYS   6 -16.538  -9.819   3.444
   53   3HZ   LYS   6          3HZ       LYS   6 -16.905  -8.464   2.499
   54    H    VAL   7           H        VAL   7 -24.957  -9.694   0.019
   55    HA   VAL   7           HA       VAL   7 -26.173  -7.379  -1.030
   56    HB   VAL   7           HB       VAL   7 -28.190  -8.351  -0.593
   57   1HG1  VAL   7          3HG1      VAL   7 -26.536 -10.001  -1.632
   58   2HG1  VAL   7          2HG1      VAL   7 -26.581 -10.817  -0.067
   59   3HG1  VAL   7          1HG1      VAL   7 -28.060 -10.634  -1.010
   60   1HG2  VAL   7          3HG2      VAL   7 -27.003  -9.245   2.012
   61   2HG2  VAL   7          2HG2      VAL   7 -28.403  -8.212   1.723
   62   3HG2  VAL   7          1HG2      VAL   7 -28.506  -9.944   1.408
   63    H    TYR   8           H        TYR   8 -27.416  -5.775   0.059
   64    HA   TYR   8           HA       TYR   8 -26.178  -4.932   2.568
   65   1HB   TYR   8          2HB       TYR   8 -26.617  -3.442   0.439
   66   2HB   TYR   8          1HB       TYR   8 -28.240  -3.313   1.110
   67    HD1  TYR   8           HD2      TYR   8 -27.989  -2.968   3.884
   68    HD2  TYR   8           HD1      TYR   8 -25.360  -1.561   0.857
   69    HE1  TYR   8           HE2      TYR   8 -27.234  -1.180   5.389
   70    HE2  TYR   8           HE1      TYR   8 -24.588   0.233   2.356
   71    HH   TYR   8           HH       TYR   8 -26.047   0.716   5.544
   72    H    GLU   9           H        GLU   9 -27.191  -6.486   3.912
   73    HA   GLU   9           HA       GLU   9 -29.925  -6.993   4.017
   74   1HB   GLU   9          2HB       GLU   9 -29.237  -7.424   6.596
   75   2HB   GLU   9          1HB       GLU   9 -28.880  -8.551   5.297
   76   1HG   GLU   9          2HG       GLU   9 -26.844  -6.472   5.706
   77   2HG   GLU   9          1HG       GLU   9 -27.045  -7.590   7.052
   78    H    ASN  10           H        ASN  10 -31.282  -6.477   6.050
   79    HA   ASN  10           HA       ASN  10 -32.702  -4.625   6.527
   80   1HB   ASN  10          2HB       ASN  10 -31.594  -3.695   8.727
   81   2HB   ASN  10          1HB       ASN  10 -32.153  -5.362   8.642
   82   1HD2  ASN  10          2HD2      ASN  10 -28.147  -5.018   8.008
   83   2HD2  ASN  10          1HD2      ASN  10 -29.283  -4.129   7.058
   84    H    TYR  11           H        TYR  11 -32.843  -2.954   5.143
   85    HA   TYR  11           HA       TYR  11 -31.719  -0.481   5.715
   86   1HB   TYR  11          2HB       TYR  11 -29.590  -0.935   5.006
   87   2HB   TYR  11          1HB       TYR  11 -30.116  -2.210   3.918
   88    HD1  TYR  11           HD2      TYR  11 -30.830  -1.680   1.629
   89    HD2  TYR  11           HD1      TYR  11 -29.396   1.347   4.256
   90    HE1  TYR  11           HE2      TYR  11 -30.531  -0.167  -0.284
   91    HE2  TYR  11           HE1      TYR  11 -29.083   2.862   2.345
   92    HH   TYR  11           HH       TYR  11 -28.738   2.160  -0.521
   93    HA   PRO  12           HA       PRO  12 -35.182   0.932   3.315
   94   1HB   PRO  12          2HB       PRO  12 -33.065   2.607   2.006
   95   2HB   PRO  12          1HB       PRO  12 -34.687   3.067   2.535
   96   1HG   PRO  12          2HG       PRO  12 -32.498   3.602   4.011
   97   2HG   PRO  12          1HG       PRO  12 -34.071   3.235   4.741
   98   1HD   PRO  12          2HD       PRO  12 -31.616   1.631   4.726
   99   2HD   PRO  12          1HD       PRO  12 -33.064   1.454   5.733
  100    H    VAL  13           H        VAL  13 -35.168  -1.225   2.273
  101    HA   VAL  13           HA       VAL  13 -33.747  -1.823  -0.063
  102    HB   VAL  13           HB       VAL  13 -35.196  -3.365   1.421
  103   1HG1  VAL  13          2HG1      VAL  13 -37.251  -1.852   0.780
  104   2HG1  VAL  13          1HG1      VAL  13 -37.330  -2.932  -0.612
  105   3HG1  VAL  13          3HG1      VAL  13 -37.441  -3.589   1.021
  106   1HG2  VAL  13          3HG2      VAL  13 -34.870  -3.494  -1.545
  107   2HG2  VAL  13          2HG2      VAL  13 -34.068  -4.430  -0.284
  108   3HG2  VAL  13          1HG2      VAL  13 -35.747  -4.772  -0.702
  109    H    SER  14           H        SER  14 -36.557   0.142   0.461
  110    HA   SER  14           HA       SER  14 -37.641   0.122  -2.126
  111   1HB   SER  14          2HB       SER  14 -39.083   1.716  -1.353
  112   2HB   SER  14          1HB       SER  14 -38.434   1.199   0.205
  113    HG   SER  14           HG       SER  14 -38.158   3.339   0.259
  114    H    LYS  15           H        LYS  15 -35.244   2.290  -0.640
  115    HA   LYS  15           HA       LYS  15 -34.960   3.954  -2.902
  116   1HB   LYS  15          2HB       LYS  15 -33.840   3.779  -0.280
  117   2HB   LYS  15          1HB       LYS  15 -32.508   3.913  -1.418
  118   1HG   LYS  15          2HG       LYS  15 -32.973   6.113  -0.897
  119   2HG   LYS  15          1HG       LYS  15 -33.840   5.879  -2.416
  120   1HD   LYS  15          2HD       LYS  15 -35.535   6.838  -1.242
  121   2HD   LYS  15          1HD       LYS  15 -35.782   5.178  -0.699
  122   1HE   LYS  15          2HE       LYS  15 -34.339   7.397   0.739
  123   2HE   LYS  15          1HE       LYS  15 -35.824   6.581   1.229
  124   1HZ   LYS  15          2HZ       LYS  15 -33.228   5.178   0.956
  125   2HZ   LYS  15          1HZ       LYS  15 -33.754   5.863   2.410
  126   3HZ   LYS  15          3HZ       LYS  15 -34.638   4.611   1.695
  127    H    CYS  16           H        CYS  16 -34.846   2.478  -4.651
  128    HA   CYS  16           HA       CYS  16 -32.233   1.964  -5.552
  129   1HB   CYS  16          2HB       CYS  16 -33.270  -0.075  -3.886
  130   2HB   CYS  16          1HB       CYS  16 -33.301  -0.712  -5.526
  131    H    GLN  17           H        GLN  17 -32.881   2.953  -7.403
  132    HA   GLN  17           HA       GLN  17 -34.867   1.521  -9.052
  133   1HB   GLN  17          2HB       GLN  17 -34.450   4.428  -8.556
  134   2HB   GLN  17          1HB       GLN  17 -34.897   3.950 -10.188
  135   1HG   GLN  17          2HG       GLN  17 -36.470   2.944  -7.861
  136   2HG   GLN  17          1HG       GLN  17 -36.734   4.576  -8.472
  137   1HE2  GLN  17          2HE2      GLN  17 -37.222   2.037 -11.542
  138   2HE2  GLN  17          1HE2      GLN  17 -35.693   2.338 -10.796
  139    H    LEU  18           H        LEU  18 -31.809   3.187  -8.882
  140    HA   LEU  18           HA       LEU  18 -30.701   1.681 -11.031
  141   1HB   LEU  18          2HB       LEU  18 -31.700   4.413 -11.513
  142   2HB   LEU  18          1HB       LEU  18 -30.056   4.140 -12.057
  143    HG   LEU  18           HG       LEU  18 -32.483   2.573 -12.900
  144   1HD1  LEU  18          3HD1      LEU  18 -32.322   4.871 -13.805
  145   2HD1  LEU  18          2HD1      LEU  18 -30.750   4.454 -14.487
  146   3HD1  LEU  18          1HD1      LEU  18 -32.201   3.619 -15.042
  147   1HD2  LEU  18          1HD2      LEU  18 -29.577   2.113 -13.237
  148   2HD2  LEU  18          3HD2      LEU  18 -30.910   0.960 -13.177
  149   3HD2  LEU  18          2HD2      LEU  18 -30.591   1.860 -14.658
  150    H    ALA  19           H        ALA  19 -28.460   2.961 -11.619
  151    HA   ALA  19           HA       ALA  19 -26.807   2.649  -9.417
  152   1HB   ALA  19          2HB       ALA  19 -26.360   4.307 -11.893
  153   2HB   ALA  19          1HB       ALA  19 -25.105   3.859 -10.738
  154   3HB   ALA  19          3HB       ALA  19 -25.937   2.610 -11.665
  155    H    ASN  20           H        ASN  20 -25.250   4.504  -8.756
  156    HA   ASN  20           HA       ASN  20 -24.909   6.663  -7.993
  157   1HB   ASN  20          2HB       ASN  20 -26.986   7.338  -9.386
  158   2HB   ASN  20          1HB       ASN  20 -27.860   7.195  -7.866
  159   1HD2  ASN  20          2HD2      ASN  20 -25.928   9.862  -6.339
  160   2HD2  ASN  20          1HD2      ASN  20 -26.370   8.225  -6.006
  161    H    GLN  21           H        GLN  21 -28.092   6.155  -6.528
  162    HA   GLN  21           HA       GLN  21 -27.292   6.585  -3.934
  163   1HB   GLN  21          2HB       GLN  21 -29.654   6.393  -4.832
  164   2HB   GLN  21          1HB       GLN  21 -29.479   4.651  -4.680
  165   1HG   GLN  21          2HG       GLN  21 -30.646   5.584  -2.771
  166   2HG   GLN  21          1HG       GLN  21 -29.104   4.880  -2.289
  167   1HE2  GLN  21          2HE2      GLN  21 -28.578   7.784  -0.459
  168   2HE2  GLN  21          1HE2      GLN  21 -28.862   6.079  -0.451
  169    H    CYS  22           H        CYS  22 -28.140   3.319  -5.089
  170    HA   CYS  22           HA       CYS  22 -27.008   1.929  -2.981
  171   1HB   CYS  22          2HB       CYS  22 -28.514   1.090  -4.899
  172   2HB   CYS  22          1HB       CYS  22 -27.015   0.837  -5.785
  173    H    ASN  23           H        ASN  23 -25.527   2.831  -6.075
  174    HA   ASN  23           HA       ASN  23 -23.091   1.532  -5.779
  175   1HB   ASN  23          2HB       ASN  23 -24.025   2.828  -7.800
  176   2HB   ASN  23          1HB       ASN  23 -23.330   4.258  -7.041
  177   1HD2  ASN  23          2HD2      ASN  23 -20.015   3.464  -7.795
  178   2HD2  ASN  23          1HD2      ASN  23 -21.084   4.418  -6.829
  179    H    TYR  24           H        TYR  24 -23.579   5.029  -5.218
  180    HA   TYR  24           HA       TYR  24 -21.189   5.538  -3.946
  181   1HB   TYR  24          2HB       TYR  24 -22.146   7.566  -4.199
  182   2HB   TYR  24          1HB       TYR  24 -23.761   6.881  -4.208
  183    HD1  TYR  24           HD1      TYR  24 -21.109   7.134  -1.589
  184    HD2  TYR  24           HD2      TYR  24 -25.112   8.009  -2.731
  185    HE1  TYR  24           HE1      TYR  24 -21.525   8.096   0.631
  186    HE2  TYR  24           HE2      TYR  24 -25.540   8.976  -0.515
  187    HH   TYR  24           HH       TYR  24 -23.357   8.606   2.108
  188    H    ASP  25           H        ASP  25 -24.262   4.549  -2.440
  189    HA   ASP  25           HA       ASP  25 -23.464   4.621   0.220
  190   1HB   ASP  25          2HB       ASP  25 -25.424   2.887  -1.268
  191   2HB   ASP  25          1HB       ASP  25 -25.130   2.637   0.452
  192    H    CYS  26           H        CYS  26 -23.197   1.885  -2.074
  193    HA   CYS  26           HA       CYS  26 -21.887   0.172  -0.287
  194   1HB   CYS  26          2HB       CYS  26 -21.677   0.356  -3.302
  195   2HB   CYS  26          1HB       CYS  26 -20.966  -0.940  -2.348
  196    H    LYS  27           H        LYS  27 -20.701   2.684  -2.454
  197    HA   LYS  27           HA       LYS  27 -17.945   2.316  -2.097
  198   1HB   LYS  27          2HB       LYS  27 -19.359   3.979  -3.622
  199   2HB   LYS  27          1HB       LYS  27 -19.059   5.084  -2.289
  200   1HG   LYS  27          2HG       LYS  27 -17.283   5.548  -3.651
  201   2HG   LYS  27          1HG       LYS  27 -16.579   4.320  -2.600
  202   1HD   LYS  27          2HD       LYS  27 -16.902   2.624  -4.264
  203   2HD   LYS  27          1HD       LYS  27 -17.816   3.734  -5.286
  204   1HE   LYS  27          2HE       LYS  27 -15.287   3.251  -5.769
  205   2HE   LYS  27          1HE       LYS  27 -15.945   4.878  -5.957
  206   1HZ   LYS  27          3HZ       LYS  27 -14.686   3.975  -3.438
  207   2HZ   LYS  27          2HZ       LYS  27 -13.784   4.660  -4.694
  208   3HZ   LYS  27          1HZ       LYS  27 -15.004   5.559  -3.941
  209    H    LEU  28           H        LEU  28 -20.209   2.758   0.158
  210    HA   LEU  28           HA       LEU  28 -18.364   3.384   2.250
  211   1HB   LEU  28          2HB       LEU  28 -19.265   5.623   1.137
  212   2HB   LEU  28          1HB       LEU  28 -20.688   5.274   2.100
  213    HG   LEU  28           HG       LEU  28 -19.200   5.203   4.125
  214   1HD1  LEU  28          1HD1      LEU  28 -17.192   5.953   2.050
  215   2HD1  LEU  28          3HD1      LEU  28 -17.031   6.586   3.688
  216   3HD1  LEU  28          2HD1      LEU  28 -17.043   4.845   3.413
  217   1HD2  LEU  28          1HD2      LEU  28 -19.325   7.765   2.540
  218   2HD2  LEU  28          3HD2      LEU  28 -20.549   7.151   3.652
  219   3HD2  LEU  28          2HD2      LEU  28 -18.974   7.656   4.265
  220    H    ASP  29           H        ASP  29 -20.892   4.399   3.744
  221    HA   ASP  29           HA       ASP  29 -22.482   3.484   5.111
  222   1HB   ASP  29          2HB       ASP  29 -22.746   1.898   2.626
  223   2HB   ASP  29          1HB       ASP  29 -23.301   1.069   4.074
  224    H    LYS  30           H        LYS  30 -20.396   1.149   3.607
  225    HA   LYS  30           HA       LYS  30 -19.445   0.196   6.205
  226   1HB   LYS  30          2HB       LYS  30 -20.262  -1.367   3.762
  227   2HB   LYS  30          1HB       LYS  30 -18.960  -1.972   4.775
  228   1HG   LYS  30          2HG       LYS  30 -20.616  -3.034   5.869
  229   2HG   LYS  30          1HG       LYS  30 -20.864  -1.477   6.647
  230   1HD   LYS  30          2HD       LYS  30 -23.000  -2.109   5.935
  231   2HD   LYS  30          1HD       LYS  30 -22.457  -0.953   4.720
  232   1HE   LYS  30          2HE       LYS  30 -21.905  -3.837   4.232
  233   2HE   LYS  30          1HE       LYS  30 -23.567  -3.279   4.067
  234   1HZ   LYS  30          3HZ       LYS  30 -21.757  -1.513   2.767
  235   2HZ   LYS  30          2HZ       LYS  30 -21.577  -3.092   2.187
  236   3HZ   LYS  30          1HZ       LYS  30 -23.091  -2.339   2.134
  237    H    HIS  31           H        HIS  31 -18.470  -0.675   2.943
  238    HA   HIS  31           HA       HIS  31 -16.602   1.204   2.329
  239   1HB   HIS  31          2HB       HIS  31 -14.493  -0.232   3.144
  240   2HB   HIS  31          1HB       HIS  31 -15.217   1.024   4.139
  241    HD1  HIS  31           HD1      HIS  31 -15.307  -2.744   3.730
  242    HD2  HIS  31           HD2      HIS  31 -16.161   0.192   6.534
  243    HE1  HIS  31           HE1      HIS  31 -15.858  -3.980   5.849
  244    HE2  HIS  31           HE2      HIS  31 -16.419  -2.187   7.523
  245    H    ALA  32           H        ALA  32 -18.119  -0.247   0.731
  246    HA   ALA  32           HA       ALA  32 -16.610  -2.495  -0.339
  247   1HB   ALA  32          1HB       ALA  32 -19.348  -1.416  -0.712
  248   2HB   ALA  32          3HB       ALA  32 -18.637  -2.297  -2.063
  249   3HB   ALA  32          2HB       ALA  32 -18.807  -3.078  -0.491
  250    H    ARG  33           H        ARG  33 -16.720  -2.479  -2.934
  251    HA   ARG  33           HA       ARG  33 -15.155  -0.142  -3.724
  252   1HB   ARG  33          2HB       ARG  33 -14.439  -2.587  -4.066
  253   2HB   ARG  33          1HB       ARG  33 -15.626  -2.622  -5.360
  254   1HG   ARG  33          2HG       ARG  33 -13.970  -1.921  -6.692
  255   2HG   ARG  33          1HG       ARG  33 -14.191  -0.347  -5.925
  256   1HD   ARG  33          2HD       ARG  33 -12.263  -2.497  -5.059
  257   2HD   ARG  33          1HD       ARG  33 -11.845  -1.010  -5.908
  258    HE   ARG  33           HE       ARG  33 -12.825   0.117  -3.840
  259   1HH1  ARG  33          1HH2      ARG  33 -11.209  -2.976  -3.777
  260   2HH1  ARG  33          2HH2      ARG  33 -10.685  -2.808  -2.136
  261   1HH2  ARG  33          2HH1      ARG  33 -12.136   0.337  -1.681
  262   2HH2  ARG  33          1HH1      ARG  33 -11.212  -0.930  -0.946
  263    H    SER  34           H        SER  34 -18.103  -1.851  -4.459
  264    HA   SER  34           HA       SER  34 -19.278   0.419  -5.707
  265   1HB   SER  34          2HB       SER  34 -19.716  -0.786  -7.911
  266   2HB   SER  34          1HB       SER  34 -18.070  -0.199  -7.669
  267    HG   SER  34           HG       SER  34 -18.860  -2.839  -7.027
  268    H    GLY  35           H        GLY  35 -21.300  -0.944  -7.162
  269   1HA   GLY  35          2HA       GLY  35 -22.387  -3.143  -5.818
  270   2HA   GLY  35          1HA       GLY  35 -22.996  -1.695  -5.037
  271    H    GLU  36           H        GLU  36 -25.028  -2.745  -5.763
  272    HA   GLU  36           HA       GLU  36 -26.180  -1.320  -7.876
  273   1HB   GLU  36          2HB       GLU  36 -24.764  -3.605  -8.752
  274   2HB   GLU  36          1HB       GLU  36 -26.464  -4.037  -8.845
  275   1HG   GLU  36          2HG       GLU  36 -25.356  -1.511 -10.034
  276   2HG   GLU  36          1HG       GLU  36 -25.438  -3.035 -10.916
  277    H    CYS  37           H        CYS  37 -28.203  -3.258  -8.578
  278    HA   CYS  37           HA       CYS  37 -29.283  -4.169  -6.050
  279   1HB   CYS  37          2HB       CYS  37 -30.026  -1.647  -7.081
  280   2HB   CYS  37          1HB       CYS  37 -31.406  -2.711  -7.331
  281    H    PHE  38           H        PHE  38 -30.830  -5.764  -6.213
  282    HA   PHE  38           HA       PHE  38 -31.763  -6.535  -8.878
  283   1HB   PHE  38          2HB       PHE  38 -30.039  -8.241  -7.093
  284   2HB   PHE  38          1HB       PHE  38 -31.108  -8.951  -8.298
  285    HD1  PHE  38           HD1      PHE  38 -28.221  -6.699  -7.831
  286    HD2  PHE  38           HD2      PHE  38 -30.513  -9.008 -10.572
  287    HE1  PHE  38           HE1      PHE  38 -26.489  -6.373  -9.547
  288    HE2  PHE  38           HE2      PHE  38 -28.785  -8.686 -12.294
  289    HZ   PHE  38           HZ       PHE  38 -26.770  -7.368 -11.781
  290    H    TYR  39           H        TYR  39 -33.458  -8.183  -8.816
  291    HA   TYR  39           HA       TYR  39 -35.205  -7.755  -6.549
  292   1HB   TYR  39          2HB       TYR  39 -35.502  -8.684  -9.329
  293   2HB   TYR  39          1HB       TYR  39 -36.578  -9.469  -8.177
  294    HD1  TYR  39           HD1      TYR  39 -35.416  -6.054  -9.157
  295    HD2  TYR  39           HD2      TYR  39 -38.594  -8.463  -7.681
  296    HE1  TYR  39           HE1      TYR  39 -36.920  -4.108  -9.231
  297    HE2  TYR  39           HE2      TYR  39 -40.107  -6.529  -7.755
  298    HH   TYR  39           HH       TYR  39 -38.945  -3.325  -8.746
  299    H    ASP  40           H        ASP  40 -36.546  -9.790  -5.877
  300    HA   ASP  40           HA       ASP  40 -34.999 -12.235  -5.761
  301   1HB   ASP  40          2HB       ASP  40 -35.021 -12.298  -3.269
  302   2HB   ASP  40          1HB       ASP  40 -33.986 -11.035  -3.928
  303    H    GLU  41           H        GLU  41 -36.259 -13.604  -3.820
  304    HA   GLU  41           HA       GLU  41 -38.702 -14.287  -5.011
  305   1HB   GLU  41          2HB       GLU  41 -37.025 -15.352  -3.017
  306   2HB   GLU  41          1HB       GLU  41 -38.584 -15.137  -2.236
  307   1HG   GLU  41          2HG       GLU  41 -38.184 -16.594  -4.838
  308   2HG   GLU  41          1HG       GLU  41 -38.236 -17.371  -3.257
  309    H    LYS  42           H        LYS  42 -37.923 -11.737  -2.956
  310    HA   LYS  42           HA       LYS  42 -40.619 -11.500  -1.851
  311   1HB   LYS  42          2HB       LYS  42 -38.609 -11.114  -0.419
  312   2HB   LYS  42          1HB       LYS  42 -38.221  -9.714  -1.410
  313   1HG   LYS  42          2HG       LYS  42 -39.697  -8.415  -0.332
  314   2HG   LYS  42          1HG       LYS  42 -40.964  -9.637  -0.437
  315   1HD   LYS  42          2HD       LYS  42 -38.714  -9.905   1.531
  316   2HD   LYS  42          1HD       LYS  42 -40.133  -8.920   1.894
  317   1HE   LYS  42          2HE       LYS  42 -40.445 -11.734   0.926
  318   2HE   LYS  42          1HE       LYS  42 -40.087 -11.412   2.621
  319   1HZ   LYS  42          2HZ       LYS  42 -42.073  -9.807   2.448
  320   2HZ   LYS  42          1HZ       LYS  42 -42.486 -10.693   1.069
  321   3HZ   LYS  42          3HZ       LYS  42 -42.380 -11.465   2.572
  322    H    ARG  43           H        ARG  43 -39.971 -11.158  -4.719
  323    HA   ARG  43           HA       ARG  43 -40.106  -9.577  -6.416
  324   1HB   ARG  43          2HB       ARG  43 -42.624  -8.570  -6.027
  325   2HB   ARG  43          1HB       ARG  43 -42.273 -10.154  -6.694
  326   1HG   ARG  43          2HG       ARG  43 -42.679  -9.685  -3.755
  327   2HG   ARG  43          1HG       ARG  43 -43.993 -10.074  -4.864
  328   1HD   ARG  43          2HD       ARG  43 -41.727 -11.894  -5.140
  329   2HD   ARG  43          1HD       ARG  43 -42.412 -11.904  -3.516
  330    HE   ARG  43           HE       ARG  43 -44.266 -12.161  -5.747
  331   1HH1  ARG  43          1HH2      ARG  43 -42.466 -13.674  -3.179
  332   2HH1  ARG  43          2HH2      ARG  43 -43.416 -15.123  -3.189
  333   1HH2  ARG  43          2HH1      ARG  43 -45.521 -14.067  -5.774
  334   2HH2  ARG  43          1HH1      ARG  43 -45.151 -15.349  -4.672
  335    H    ASN  44           H        ASN  44 -38.440  -8.323  -4.861
  336    HA   ASN  44           HA       ASN  44 -39.390  -5.560  -4.890
  337   1HB   ASN  44          2HB       ASN  44 -38.164  -6.934  -2.499
  338   2HB   ASN  44          1HB       ASN  44 -38.159  -5.184  -2.684
  339   1HD2  ASN  44          2HD2      ASN  44 -41.065  -5.922  -0.641
  340   2HD2  ASN  44          1HD2      ASN  44 -39.343  -5.973  -0.517
  341    H    LEU  45           H        LEU  45 -36.594  -5.479  -3.238
  342    HA   LEU  45           HA       LEU  45 -34.791  -5.823  -5.489
  343   1HB   LEU  45          2HB       LEU  45 -35.581  -3.190  -4.346
  344   2HB   LEU  45          1HB       LEU  45 -33.913  -3.406  -4.838
  345    HG   LEU  45           HG       LEU  45 -35.888  -4.243  -6.863
  346   1HD1  LEU  45          3HD1      LEU  45 -35.726  -1.388  -5.940
  347   2HD1  LEU  45          2HD1      LEU  45 -36.227  -1.835  -7.571
  348   3HD1  LEU  45          1HD1      LEU  45 -37.162  -2.383  -6.179
  349   1HD2  LEU  45          2HD2      LEU  45 -33.348  -4.030  -7.074
  350   2HD2  LEU  45          1HD2      LEU  45 -34.339  -3.364  -8.373
  351   3HD2  LEU  45          3HD2      LEU  45 -33.635  -2.291  -7.164
  352    H    GLN  46           H        GLN  46 -32.504  -5.507  -4.849
  353    HA   GLN  46           HA       GLN  46 -31.967  -5.569  -1.990
  354   1HB   GLN  46          2HB       GLN  46 -31.515  -7.894  -3.834
  355   2HB   GLN  46          1HB       GLN  46 -30.480  -7.654  -2.433
  356   1HG   GLN  46          2HG       GLN  46 -32.380  -7.800  -0.954
  357   2HG   GLN  46          1HG       GLN  46 -33.476  -7.919  -2.329
  358   1HE2  GLN  46          2HE2      GLN  46 -31.833 -11.190  -3.145
  359   2HE2  GLN  46          1HE2      GLN  46 -31.801  -9.629  -3.884
  360    H    CYS  47           H        CYS  47 -30.423  -4.132  -1.736
  361    HA   CYS  47           HA       CYS  47 -28.738  -3.218  -3.821
  362   1HB   CYS  47          2HB       CYS  47 -29.364  -2.494  -1.102
  363   2HB   CYS  47          1HB       CYS  47 -27.626  -2.420  -1.341
  364    H    ILE  48           H        ILE  48 -27.298  -4.608  -4.688
  365    HA   ILE  48           HA       ILE  48 -25.721  -6.365  -2.984
  366    HB   ILE  48           HB       ILE  48 -25.764  -6.049  -5.984
  367   1HG1  ILE  48          2HG1      ILE  48 -27.762  -7.093  -4.734
  368   2HG1  ILE  48          1HG1      ILE  48 -27.062  -8.000  -6.071
  369   1HG2  ILE  48          2HG2      ILE  48 -24.069  -7.701  -4.171
  370   2HG2  ILE  48          1HG2      ILE  48 -24.528  -8.341  -5.749
  371   3HG2  ILE  48          3HG2      ILE  48 -23.629  -6.828  -5.639
  372   1HD1  ILE  48          1HD1      ILE  48 -25.903  -8.595  -3.448
  373   2HD1  ILE  48          3HD1      ILE  48 -27.604  -9.025  -3.632
  374   3HD1  ILE  48          2HD1      ILE  48 -26.403  -9.676  -4.749
  375    H    CYS  49           H        CYS  49 -23.908  -5.610  -2.065
  376    HA   CYS  49           HA       CYS  49 -22.465  -3.417  -3.379
  377   1HB   CYS  49          2HB       CYS  49 -22.397  -4.518  -0.574
  378   2HB   CYS  49          1HB       CYS  49 -21.192  -3.381  -1.163
  379    H    ASP  50           H        ASP  50 -20.780  -3.850  -4.585
  380    HA   ASP  50           HA       ASP  50 -19.404  -6.418  -4.314
  381   1HB   ASP  50          2HB       ASP  50 -18.710  -4.546  -6.514
  382   2HB   ASP  50          1HB       ASP  50 -18.920  -6.295  -6.543
  383    H    TYR  51           H        TYR  51 -17.427  -6.621  -3.544
  384    HA   TYR  51           HA       TYR  51 -16.012  -4.213  -2.682
  385   1HB   TYR  51          2HB       TYR  51 -15.780  -7.132  -2.002
  386   2HB   TYR  51          1HB       TYR  51 -14.566  -5.967  -1.492
  387    HD1  TYR  51           HD1      TYR  51 -18.317  -5.885  -1.551
  388    HD2  TYR  51           HD2      TYR  51 -14.762  -5.579   0.767
  389    HE1  TYR  51           HE1      TYR  51 -19.666  -5.375   0.431
  390    HE2  TYR  51           HE2      TYR  51 -16.105  -5.062   2.761
  391    HH   TYR  51           HH       TYR  51 -18.424  -4.068   3.215
  392    H    CYS  52           H        CYS  52 -15.846  -6.709  -5.051
  393    HA   CYS  52           HA       CYS  52 -13.032  -6.151  -5.638
  394   1HB   CYS  52          2HB       CYS  52 -14.948  -8.315  -6.436
  395   2HB   CYS  52          1HB       CYS  52 -13.512  -8.013  -7.409
  396    H    GLU  53           H        GLU  53 -15.692  -6.885  -7.860
  397    HA   GLU  53           HA       GLU  53 -16.367  -5.914  -9.802
  398   1HB   GLU  53          2HB       GLU  53 -17.094  -4.088  -8.397
  399   2HB   GLU  53          1HB       GLU  53 -15.467  -3.425  -8.343
  400   1HG   GLU  53          2HG       GLU  53 -15.555  -2.828 -10.649
  401   2HG   GLU  53          1HG       GLU  53 -17.076  -3.690 -10.868
  402    H    TYR  54           HN       TYR  54 -13.686  -3.698  -9.104
  403    HA   TYR  54           HA       TYR  54 -12.633  -4.018 -11.750
  404   1HB   TYR  54          2HB       TYR  54 -11.818  -2.451  -9.323
  405   2HB   TYR  54          1HB       TYR  54 -10.722  -2.592 -10.693
  406    HD1  TYR  54           HD1      TYR  54 -11.273  -1.554 -12.837
  407    HD2  TYR  54           HD2      TYR  54 -13.845  -1.143  -9.474
  408    HE1  TYR  54           HE1      TYR  54 -12.440   0.292 -13.964
  409    HE2  TYR  54           HE2      TYR  54 -15.020   0.705 -10.592
  410    HH   TYR  54           HH       TYR  54 -15.192   1.936 -12.429
   
  No H/Q in entry =         410
  Start of MODEL   27
    1    HN   PCA   1           HN       PCA   1 -10.014 -13.732  -1.345
    2    HA   PCA   1           HA       PCA   1  -9.752 -14.937   0.880
    3   1HB   PCA   1          1HB       PCA   1  -9.759 -13.588   2.694
    4   2HB   PCA   1          2HB       PCA   1 -11.480 -13.226   2.427
    5   1HG   PCA   1          1HG       PCA   1  -9.196 -11.542   1.883
    6   2HG   PCA   1          2HG       PCA   1 -10.907 -11.182   1.583
    7    H    ASP   2           H        ASP   2 -12.551 -13.120  -0.298
    8    HA   ASP   2           HA       ASP   2 -14.150 -15.594  -0.149
    9   1HB   ASP   2          2HB       ASP   2 -16.067 -14.407   0.613
   10   2HB   ASP   2          1HB       ASP   2 -14.736 -13.908   1.652
   11    H    LYS   3           H        LYS   3 -16.435 -14.764  -1.362
   12    HA   LYS   3           HA       LYS   3 -15.878 -14.931  -4.061
   13   1HB   LYS   3          2HB       LYS   3 -18.274 -13.962  -2.541
   14   2HB   LYS   3          1HB       LYS   3 -18.242 -13.856  -4.296
   15   1HG   LYS   3          2HG       LYS   3 -17.717 -16.330  -4.307
   16   2HG   LYS   3          1HG       LYS   3 -18.114 -16.322  -2.587
   17   1HD   LYS   3          2HD       LYS   3 -20.350 -15.653  -3.018
   18   2HD   LYS   3          1HD       LYS   3 -19.988 -15.291  -4.706
   19   1HE   LYS   3          2HE       LYS   3 -21.218 -17.482  -4.170
   20   2HE   LYS   3          1HE       LYS   3 -19.857 -17.543  -5.289
   21   1HZ   LYS   3          3HZ       LYS   3 -18.894 -17.902  -2.681
   22   2HZ   LYS   3          2HZ       LYS   3 -20.194 -18.960  -2.906
   23   3HZ   LYS   3          1HZ       LYS   3 -18.877 -19.001  -3.967
   24    H    CYS   4           H        CYS   4 -17.828 -12.189  -3.690
   25    HA   CYS   4           HA       CYS   4 -15.859 -10.183  -3.785
   26   1HB   CYS   4          2HB       CYS   4 -16.525 -11.509  -6.312
   27   2HB   CYS   4          1HB       CYS   4 -16.629  -9.753  -6.385
   28    H    LYS   5           H        LYS   5 -18.999 -11.157  -3.508
   29    HA   LYS   5           HA       LYS   5 -19.924  -8.390  -3.436
   30   1HB   LYS   5          2HB       LYS   5 -22.094 -10.009  -4.421
   31   2HB   LYS   5          1HB       LYS   5 -21.363  -8.586  -5.151
   32   1HG   LYS   5          2HG       LYS   5 -21.165 -10.244  -6.766
   33   2HG   LYS   5          1HG       LYS   5 -19.567 -10.164  -6.029
   34   1HD   LYS   5          2HD       LYS   5 -19.732 -12.390  -5.750
   35   2HD   LYS   5          1HD       LYS   5 -20.894 -12.035  -4.469
   36   1HE   LYS   5          2HE       LYS   5 -21.694 -13.690  -6.154
   37   2HE   LYS   5          1HE       LYS   5 -22.731 -12.274  -5.988
   38   1HZ   LYS   5          3HZ       LYS   5 -20.642 -12.186  -8.030
   39   2HZ   LYS   5          2HZ       LYS   5 -21.977 -13.182  -8.330
   40   3HZ   LYS   5          1HZ       LYS   5 -22.202 -11.528  -8.051
   41    H    LYS   6           H        LYS   6 -21.605  -8.008  -1.976
   42    HA   LYS   6           HA       LYS   6 -22.617 -10.207  -0.369
   43   1HB   LYS   6          2HB       LYS   6 -20.642  -9.825   0.844
   44   2HB   LYS   6          1HB       LYS   6 -20.733  -8.088   0.624
   45   1HG   LYS   6          2HG       LYS   6 -22.733  -8.091   2.142
   46   2HG   LYS   6          1HG       LYS   6 -22.394  -9.793   2.463
   47   1HD   LYS   6          2HD       LYS   6 -20.302  -7.670   2.813
   48   2HD   LYS   6          1HD       LYS   6 -21.461  -8.041   4.090
   49   1HE   LYS   6          2HE       LYS   6 -20.722 -10.397   4.031
   50   2HE   LYS   6          1HE       LYS   6 -19.517  -9.965   2.818
   51   1HZ   LYS   6          3HZ       LYS   6 -18.508  -8.457   4.420
   52   2HZ   LYS   6          2HZ       LYS   6 -19.650  -8.899   5.587
   53   3HZ   LYS   6          1HZ       LYS   6 -18.541 -10.040   5.015
   54    H    VAL   7           H        VAL   7 -24.714  -9.840   0.072
   55    HA   VAL   7           HA       VAL   7 -25.980  -7.427  -0.669
   56    HB   VAL   7           HB       VAL   7 -27.945  -8.505  -0.360
   57   1HG1  VAL   7          2HG1      VAL   7 -26.404 -10.116  -1.477
   58   2HG1  VAL   7          1HG1      VAL   7 -26.180 -10.902   0.086
   59   3HG1  VAL   7          3HG1      VAL   7 -27.777 -10.866  -0.661
   60   1HG2  VAL   7          1HG2      VAL   7 -26.824  -9.528   2.237
   61   2HG2  VAL   7          3HG2      VAL   7 -28.137  -8.378   1.985
   62   3HG2  VAL   7          2HG2      VAL   7 -28.368 -10.080   1.588
   63    H    TYR   8           H        TYR   8 -27.033  -5.859   0.606
   64    HA   TYR   8           HA       TYR   8 -25.742  -5.429   3.205
   65   1HB   TYR   8          2HB       TYR   8 -25.601  -3.659   1.424
   66   2HB   TYR   8          1HB       TYR   8 -27.345  -3.460   1.574
   67    HD1  TYR   8           HD2      TYR   8 -28.295  -2.696   3.763
   68    HD2  TYR   8           HD1      TYR   8 -24.135  -2.619   2.935
   69    HE1  TYR   8           HE2      TYR   8 -27.959  -1.115   5.627
   70    HE2  TYR   8           HE1      TYR   8 -23.784  -1.044   4.792
   71    HH   TYR   8           HH       TYR   8 -25.038   0.581   6.087
   72    H    GLU   9           H        GLU   9 -28.600  -6.474   1.886
   73    HA   GLU   9           HA       GLU   9 -30.803  -6.537   2.594
   74   1HB   GLU   9          2HB       GLU   9 -30.999  -7.790   4.682
   75   2HB   GLU   9          1HB       GLU   9 -29.702  -8.435   3.688
   76   1HG   GLU   9          2HG       GLU   9 -29.101  -6.433   5.819
   77   2HG   GLU   9          1HG       GLU   9 -29.346  -8.127   6.231
   78    H    ASN  10           H        ASN  10 -31.770  -6.290   5.284
   79    HA   ASN  10           HA       ASN  10 -33.063  -4.303   5.880
   80   1HB   ASN  10          2HB       ASN  10 -32.008  -5.603   7.719
   81   2HB   ASN  10          1HB       ASN  10 -30.610  -4.537   7.630
   82   1HD2  ASN  10          2HD2      ASN  10 -33.469  -3.555  10.066
   83   2HD2  ASN  10          1HD2      ASN  10 -33.024  -5.137   9.530
   84    H    TYR  11           H        TYR  11 -33.146  -2.504   4.681
   85    HA   TYR  11           HA       TYR  11 -31.631  -0.256   5.354
   86   1HB   TYR  11          2HB       TYR  11 -29.720  -0.828   4.252
   87   2HB   TYR  11          1HB       TYR  11 -30.549  -1.929   3.167
   88    HD1  TYR  11           HD2      TYR  11 -31.614  -1.055   1.099
   89    HD2  TYR  11           HD1      TYR  11 -29.294   1.443   3.645
   90    HE1  TYR  11           HE2      TYR  11 -31.416   0.599  -0.711
   91    HE2  TYR  11           HE1      TYR  11 -29.079   3.097   1.840
   92    HH   TYR  11           HH       TYR  11 -29.288   3.339  -0.471
   93    HA   PRO  12           HA       PRO  12 -35.188   1.780   3.651
   94   1HB   PRO  12          2HB       PRO  12 -33.123   3.555   2.396
   95   2HB   PRO  12          1HB       PRO  12 -34.611   3.991   3.246
   96   1HG   PRO  12          2HG       PRO  12 -32.217   4.141   4.441
   97   2HG   PRO  12          1HG       PRO  12 -33.678   3.672   5.326
   98   1HD   PRO  12          2HD       PRO  12 -31.366   2.027   4.514
   99   2HD   PRO  12          1HD       PRO  12 -32.557   1.750   5.801
  100    H    VAL  13           H        VAL  13 -35.715   0.053   2.198
  101    HA   VAL  13           HA       VAL  13 -34.508  -0.509  -0.227
  102    HB   VAL  13           HB       VAL  13 -37.474  -0.634   0.355
  103   1HG1  VAL  13          1HG1      VAL  13 -35.746  -1.843  -1.776
  104   2HG1  VAL  13          3HG1      VAL  13 -37.284  -2.569  -1.310
  105   3HG1  VAL  13          2HG1      VAL  13 -37.242  -0.927  -1.954
  106   1HG2  VAL  13          2HG2      VAL  13 -35.719  -1.841   1.891
  107   2HG2  VAL  13          1HG2      VAL  13 -37.186  -2.672   1.369
  108   3HG2  VAL  13          3HG2      VAL  13 -35.655  -2.987   0.551
  109    H    SER  14           H        SER  14 -37.716   0.856  -0.474
  110    HA   SER  14           HA       SER  14 -38.339   2.059  -2.462
  111   1HB   SER  14          2HB       SER  14 -38.750   4.251  -1.598
  112   2HB   SER  14          1HB       SER  14 -38.861   3.126  -0.244
  113    HG   SER  14           HG       SER  14 -36.994   3.869   0.552
  114    H    LYS  15           H        LYS  15 -35.603   3.909  -1.132
  115    HA   LYS  15           HA       LYS  15 -34.905   5.110  -3.562
  116   1HB   LYS  15          2HB       LYS  15 -33.866   4.993  -0.854
  117   2HB   LYS  15          1HB       LYS  15 -32.556   5.017  -2.024
  118   1HG   LYS  15          2HG       LYS  15 -32.998   7.258  -1.430
  119   2HG   LYS  15          1HG       LYS  15 -33.644   7.027  -3.056
  120   1HD   LYS  15          2HD       LYS  15 -35.390   8.136  -2.059
  121   2HD   LYS  15          1HD       LYS  15 -35.854   6.461  -1.755
  122   1HE   LYS  15          2HE       LYS  15 -34.497   6.776   0.448
  123   2HE   LYS  15          1HE       LYS  15 -34.736   8.494   0.131
  124   1HZ   LYS  15          2HZ       LYS  15 -37.148   8.037   0.010
  125   2HZ   LYS  15          1HZ       LYS  15 -36.851   6.440   0.479
  126   3HZ   LYS  15          3HZ       LYS  15 -36.488   7.712   1.532
  127    H    CYS  16           H        CYS  16 -34.810   3.567  -5.176
  128    HA   CYS  16           HA       CYS  16 -32.282   2.498  -5.736
  129   1HB   CYS  16          2HB       CYS  16 -33.859   0.822  -4.065
  130   2HB   CYS  16          1HB       CYS  16 -33.800   0.061  -5.652
  131    H    GLN  17           H        GLN  17 -32.207   2.769  -7.830
  132    HA   GLN  17           HA       GLN  17 -34.609   2.238  -9.449
  133   1HB   GLN  17          2HB       GLN  17 -32.477   4.332  -9.612
  134   2HB   GLN  17          1HB       GLN  17 -33.236   3.784 -11.101
  135   1HG   GLN  17          2HG       GLN  17 -34.214   5.839 -10.017
  136   2HG   GLN  17          1HG       GLN  17 -35.347   4.556 -10.438
  137   1HE2  GLN  17          2HE2      GLN  17 -36.462   4.052  -7.205
  138   2HE2  GLN  17          1HE2      GLN  17 -36.543   3.633  -8.878
  139    H    LEU  18           H        LEU  18 -31.063   2.282  -9.598
  140    HA   LEU  18           HA       LEU  18 -30.822  -0.347 -10.499
  141   1HB   LEU  18          2HB       LEU  18 -31.390   1.612 -12.539
  142   2HB   LEU  18          1HB       LEU  18 -29.825   0.872 -12.830
  143    HG   LEU  18           HG       LEU  18 -32.288  -0.729 -12.279
  144   1HD1  LEU  18          2HD1      LEU  18 -31.296   0.451 -14.836
  145   2HD1  LEU  18          1HD1      LEU  18 -32.109  -1.114 -14.851
  146   3HD1  LEU  18          3HD1      LEU  18 -32.947   0.310 -14.234
  147   1HD2  LEU  18          1HD2      LEU  18 -29.777  -1.553 -12.128
  148   2HD2  LEU  18          3HD2      LEU  18 -31.050  -2.574 -12.805
  149   3HD2  LEU  18          2HD2      LEU  18 -29.974  -1.682 -13.879
  150    H    ALA  19           H        ALA  19 -29.493   2.751  -9.846
  151    HA   ALA  19           HA       ALA  19 -27.105   1.718  -8.844
  152   1HB   ALA  19          3HB       ALA  19 -27.014   2.588 -11.696
  153   2HB   ALA  19          2HB       ALA  19 -25.601   2.786 -10.663
  154   3HB   ALA  19          1HB       ALA  19 -26.277   1.179 -10.932
  155    H    ASN  20           H        ASN  20 -27.131   3.171  -7.205
  156    HA   ASN  20           HA       ASN  20 -26.186   5.782  -7.614
  157   1HB   ASN  20          2HB       ASN  20 -28.461   6.176  -8.470
  158   2HB   ASN  20          1HB       ASN  20 -29.128   5.626  -6.938
  159   1HD2  ASN  20          2HD2      ASN  20 -26.956   8.708  -5.829
  160   2HD2  ASN  20          1HD2      ASN  20 -26.378   7.105  -6.111
  161    H    GLN  21           H        GLN  21 -28.707   5.471  -5.264
  162    HA   GLN  21           HA       GLN  21 -27.159   6.080  -3.079
  163   1HB   GLN  21          2HB       GLN  21 -29.683   4.422  -3.167
  164   2HB   GLN  21          1HB       GLN  21 -28.988   5.106  -1.702
  165   1HG   GLN  21          2HG       GLN  21 -30.020   6.650  -4.071
  166   2HG   GLN  21          1HG       GLN  21 -30.816   6.473  -2.508
  167   1HE2  GLN  21          2HE2      GLN  21 -28.235   8.481  -0.870
  168   2HE2  GLN  21          1HE2      GLN  21 -28.922   6.905  -0.704
  169    H    CYS  22           H        CYS  22 -28.185   2.845  -4.123
  170    HA   CYS  22           HA       CYS  22 -26.878   1.372  -2.155
  171   1HB   CYS  22          2HB       CYS  22 -28.573   0.663  -4.014
  172   2HB   CYS  22          1HB       CYS  22 -27.124   0.345  -4.963
  173    H    ASN  23           H        ASN  23 -25.774   1.930  -5.502
  174    HA   ASN  23           HA       ASN  23 -23.285   0.776  -5.333
  175   1HB   ASN  23          2HB       ASN  23 -24.425   1.805  -7.373
  176   2HB   ASN  23          1HB       ASN  23 -23.788   3.353  -6.826
  177   1HD2  ASN  23          1HD2      ASN  23 -21.308   2.679  -5.939
  178   2HD2  ASN  23          2HD2      ASN  23 -20.347   2.102  -7.254
  179    H    TYR  24           H        TYR  24 -23.873   4.277  -5.008
  180    HA   TYR  24           HA       TYR  24 -21.363   4.964  -4.060
  181   1HB   TYR  24          2HB       TYR  24 -22.410   6.925  -4.449
  182   2HB   TYR  24          1HB       TYR  24 -23.998   6.209  -4.210
  183    HD1  TYR  24           HD1      TYR  24 -21.043   7.072  -2.090
  184    HD2  TYR  24           HD2      TYR  24 -25.265   7.188  -2.579
  185    HE1  TYR  24           HE1      TYR  24 -21.250   8.251   0.053
  186    HE2  TYR  24           HE2      TYR  24 -25.486   8.365  -0.437
  187    HH   TYR  24           HH       TYR  24 -22.959   9.840   1.123
  188    H    ASP  25           H        ASP  25 -24.277   4.117  -2.189
  189    HA   ASP  25           HA       ASP  25 -23.313   4.459   0.359
  190   1HB   ASP  25          2HB       ASP  25 -25.242   2.449  -0.777
  191   2HB   ASP  25          1HB       ASP  25 -24.835   2.437   0.935
  192    H    CYS  26           H        CYS  26 -23.303   1.278  -1.303
  193    HA   CYS  26           HA       CYS  26 -21.661  -0.037   0.493
  194   1HB   CYS  26          2HB       CYS  26 -21.639  -0.383  -2.520
  195   2HB   CYS  26          1HB       CYS  26 -21.074  -1.555  -1.340
  196    H    LYS  27           H        LYS  27 -20.799   2.026  -2.237
  197    HA   LYS  27           HA       LYS  27 -18.017   1.700  -2.133
  198   1HB   LYS  27          2HB       LYS  27 -19.472   2.826  -3.933
  199   2HB   LYS  27          1HB       LYS  27 -19.352   4.271  -2.940
  200   1HG   LYS  27          2HG       LYS  27 -17.075   4.493  -3.309
  201   2HG   LYS  27          1HG       LYS  27 -16.888   2.805  -3.788
  202   1HD   LYS  27          2HD       LYS  27 -16.735   4.403  -5.686
  203   2HD   LYS  27          1HD       LYS  27 -18.021   3.208  -5.868
  204   1HE   LYS  27          2HE       LYS  27 -19.685   4.755  -5.581
  205   2HE   LYS  27          1HE       LYS  27 -18.683   5.814  -4.590
  206   1HZ   LYS  27          3HZ       LYS  27 -17.833   5.497  -7.347
  207   2HZ   LYS  27          2HZ       LYS  27 -19.301   6.311  -7.133
  208   3HZ   LYS  27          1HZ       LYS  27 -17.896   6.888  -6.386
  209    H    LEU  28           H        LEU  28 -19.695   2.544   0.437
  210    HA   LEU  28           HA       LEU  28 -17.503   3.945   1.647
  211   1HB   LEU  28          2HB       LEU  28 -18.769   5.743   0.438
  212   2HB   LEU  28          1HB       LEU  28 -20.138   5.399   1.480
  213    HG   LEU  28           HG       LEU  28 -18.432   5.870   3.411
  214   1HD1  LEU  28          2HD1      LEU  28 -16.581   6.031   1.611
  215   2HD1  LEU  28          1HD1      LEU  28 -17.214   7.655   1.345
  216   3HD1  LEU  28          3HD1      LEU  28 -16.599   7.198   2.934
  217   1HD2  LEU  28          1HD2      LEU  28 -19.569   8.068   1.682
  218   2HD2  LEU  28          3HD2      LEU  28 -20.425   7.202   2.958
  219   3HD2  LEU  28          2HD2      LEU  28 -19.057   8.240   3.360
  220    H    ASP  29           H        ASP  29 -20.732   2.623   1.841
  221    HA   ASP  29           HA       ASP  29 -20.988   2.794   4.670
  222   1HB   ASP  29          2HB       ASP  29 -22.498   1.612   2.442
  223   2HB   ASP  29          1HB       ASP  29 -22.603   0.677   3.927
  224    H    LYS  30           H        LYS  30 -20.433  -0.035   2.572
  225    HA   LYS  30           HA       LYS  30 -19.226  -1.447   4.835
  226   1HB   LYS  30          2HB       LYS  30 -20.911  -2.236   2.685
  227   2HB   LYS  30          1HB       LYS  30 -19.376  -3.049   2.436
  228   1HG   LYS  30          2HG       LYS  30 -20.410  -4.597   3.728
  229   2HG   LYS  30          1HG       LYS  30 -19.684  -3.629   5.008
  230   1HD   LYS  30          2HD       LYS  30 -21.898  -2.304   4.943
  231   2HD   LYS  30          1HD       LYS  30 -22.523  -3.703   4.066
  232   1HE   LYS  30          2HE       LYS  30 -21.897  -3.400   6.914
  233   2HE   LYS  30          1HE       LYS  30 -22.992  -4.523   6.108
  234   1HZ   LYS  30          1HZ       LYS  30 -20.412  -5.291   5.438
  235   2HZ   LYS  30          3HZ       LYS  30 -20.400  -4.996   7.104
  236   3HZ   LYS  30          2HZ       LYS  30 -21.500  -6.100   6.449
  237    H    HIS  31           H        HIS  31 -18.001   0.735   3.078
  238    HA   HIS  31           HA       HIS  31 -16.004   1.218   2.095
  239   1HB   HIS  31          2HB       HIS  31 -14.710  -1.180   3.304
  240   2HB   HIS  31          1HB       HIS  31 -14.157   0.491   3.254
  241    HD1  HIS  31           HD1      HIS  31 -15.493  -1.954   5.507
  242    HD2  HIS  31           HD2      HIS  31 -15.761   2.176   5.141
  243    HE1  HIS  31           HE1      HIS  31 -16.255  -1.128   7.757
  244    HE2  HIS  31           HE2      HIS  31 -16.358   1.379   7.527
  245    H    ALA  32           H        ALA  32 -17.823  -0.492   0.672
  246    HA   ALA  32           HA       ALA  32 -16.228  -2.499  -0.663
  247   1HB   ALA  32          2HB       ALA  32 -19.038  -1.828  -0.432
  248   2HB   ALA  32          1HB       ALA  32 -18.603  -2.187  -2.100
  249   3HB   ALA  32          3HB       ALA  32 -18.292  -3.372  -0.828
  250    H    ARG  33           H        ARG  33 -16.740  -2.429  -3.238
  251    HA   ARG  33           HA       ARG  33 -15.428   0.028  -4.130
  252   1HB   ARG  33          2HB       ARG  33 -15.293  -2.761  -4.868
  253   2HB   ARG  33          1HB       ARG  33 -15.652  -1.790  -6.289
  254   1HG   ARG  33          2HG       ARG  33 -13.264  -2.113  -6.030
  255   2HG   ARG  33          1HG       ARG  33 -13.693  -0.410  -5.857
  256   1HD   ARG  33          2HD       ARG  33 -12.532  -0.432  -3.937
  257   2HD   ARG  33          1HD       ARG  33 -13.826  -1.422  -3.261
  258    HE   ARG  33           HE       ARG  33 -12.416  -3.216  -3.311
  259   1HH1  ARG  33          1HH2      ARG  33 -11.166  -0.734  -5.404
  260   2HH1  ARG  33          2HH2      ARG  33  -9.667  -1.550  -5.696
  261   1HH2  ARG  33          2HH1      ARG  33 -10.447  -4.307  -3.689
  262   2HH2  ARG  33          1HH1      ARG  33  -9.260  -3.586  -4.724
  263    H    SER  34           H        SER  34 -18.270  -1.966  -4.818
  264    HA   SER  34           HA       SER  34 -19.668   0.367  -5.796
  265   1HB   SER  34          2HB       SER  34 -20.145  -0.431  -7.989
  266   2HB   SER  34          1HB       SER  34 -18.403  -0.606  -7.778
  267    HG   SER  34           HG       SER  34 -19.929  -2.461  -8.578
  268    H    GLY  35           H        GLY  35 -21.717  -1.165  -7.129
  269   1HA   GLY  35          2HA       GLY  35 -22.761  -3.289  -5.697
  270   2HA   GLY  35          1HA       GLY  35 -23.296  -1.841  -4.858
  271    H    GLU  36           H        GLU  36 -25.356  -3.066  -5.593
  272    HA   GLU  36           HA       GLU  36 -26.664  -1.482  -7.495
  273   1HB   GLU  36          2HB       GLU  36 -27.115  -3.347  -9.179
  274   2HB   GLU  36          1HB       GLU  36 -25.536  -2.580  -9.251
  275   1HG   GLU  36          2HG       GLU  36 -24.715  -4.495  -7.793
  276   2HG   GLU  36          1HG       GLU  36 -26.246  -5.286  -8.174
  277    H    CYS  37           H        CYS  37 -28.920  -2.069  -7.740
  278    HA   CYS  37           HA       CYS  37 -29.848  -3.570  -5.439
  279   1HB   CYS  37          2HB       CYS  37 -30.811  -1.333  -6.873
  280   2HB   CYS  37          1HB       CYS  37 -32.018  -2.599  -7.064
  281    H    PHE  38           H        PHE  38 -31.491  -5.210  -5.579
  282    HA   PHE  38           HA       PHE  38 -31.824  -6.506  -8.173
  283   1HB   PHE  38          2HB       PHE  38 -30.095  -7.526  -6.024
  284   2HB   PHE  38          1HB       PHE  38 -31.261  -8.707  -6.612
  285    HD1  PHE  38           HD2      PHE  38 -28.359  -6.653  -7.479
  286    HD2  PHE  38           HD1      PHE  38 -31.129  -9.582  -8.846
  287    HE1  PHE  38           HE2      PHE  38 -26.908  -7.120  -9.411
  288    HE2  PHE  38           HE1      PHE  38 -29.683 -10.053 -10.779
  289    HZ   PHE  38           HZ       PHE  38 -27.570  -8.821 -11.065
  290    H    TYR  39           H        TYR  39 -33.897  -7.004  -8.398
  291    HA   TYR  39           HA       TYR  39 -35.701  -6.905  -6.201
  292   1HB   TYR  39          2HB       TYR  39 -36.038  -7.719  -9.088
  293   2HB   TYR  39          1HB       TYR  39 -37.364  -7.779  -7.934
  294    HD1  TYR  39           HD2      TYR  39 -34.832  -5.418  -9.324
  295    HD2  TYR  39           HD1      TYR  39 -38.710  -5.909  -7.645
  296    HE1  TYR  39           HE2      TYR  39 -35.326  -3.053  -9.786
  297    HE2  TYR  39           HE1      TYR  39 -39.220  -3.549  -8.112
  298    HH   TYR  39           HH       TYR  39 -37.075  -1.546  -9.998
  299    H    ASP  40           H        ASP  40 -36.012  -9.536  -8.447
  300    HA   ASP  40           HA       ASP  40 -36.302 -11.776  -8.142
  301   1HB   ASP  40          2HB       ASP  40 -34.483 -12.387  -6.060
  302   2HB   ASP  40          1HB       ASP  40 -34.227 -12.565  -7.795
  303    H    GLU  41           H        GLU  41 -37.294 -13.318  -6.950
  304    HA   GLU  41           HA       GLU  41 -38.297 -14.282  -5.145
  305   1HB   GLU  41          2HB       GLU  41 -36.698 -12.714  -3.774
  306   2HB   GLU  41          1HB       GLU  41 -38.166 -11.785  -3.510
  307   1HG   GLU  41          2HG       GLU  41 -39.101 -14.188  -2.858
  308   2HG   GLU  41          1HG       GLU  41 -37.399 -14.452  -2.484
  309    H    LYS  42           H        LYS  42 -39.253 -10.929  -4.589
  310    HA   LYS  42           HA       LYS  42 -41.807 -11.402  -5.900
  311   1HB   LYS  42          2HB       LYS  42 -41.998 -12.270  -3.572
  312   2HB   LYS  42          1HB       LYS  42 -41.688 -10.650  -2.980
  313   1HG   LYS  42          2HG       LYS  42 -43.868 -10.920  -4.952
  314   2HG   LYS  42          1HG       LYS  42 -44.152 -11.683  -3.393
  315   1HD   LYS  42          2HD       LYS  42 -44.801  -9.683  -2.611
  316   2HD   LYS  42          1HD       LYS  42 -43.144  -9.119  -2.786
  317   1HE   LYS  42          2HE       LYS  42 -43.786  -8.657  -5.233
  318   2HE   LYS  42          1HE       LYS  42 -45.450  -8.803  -4.670
  319   1HZ   LYS  42          2HZ       LYS  42 -44.928  -7.069  -3.002
  320   2HZ   LYS  42          1HZ       LYS  42 -43.413  -6.863  -3.723
  321   3HZ   LYS  42          3HZ       LYS  42 -44.821  -6.520  -4.598
  322    H    ARG  43           H        ARG  43 -40.699  -9.730  -7.223
  323    HA   ARG  43           HA       ARG  43 -40.214  -7.561  -7.813
  324   1HB   ARG  43          2HB       ARG  43 -42.729  -7.899  -7.996
  325   2HB   ARG  43          1HB       ARG  43 -42.861  -7.019  -6.485
  326   1HG   ARG  43          2HG       ARG  43 -43.161  -5.278  -7.899
  327   2HG   ARG  43          1HG       ARG  43 -41.403  -5.242  -7.808
  328   1HD   ARG  43          2HD       ARG  43 -42.774  -6.850  -9.936
  329   2HD   ARG  43          1HD       ARG  43 -42.577  -5.112 -10.116
  330    HE   ARG  43           HE       ARG  43 -40.228  -5.407 -10.152
  331   1HH1  ARG  43          1HH2      ARG  43 -42.006  -8.407 -10.107
  332   2HH1  ARG  43          2HH2      ARG  43 -40.677  -9.348 -10.693
  333   1HH2  ARG  43          2HH1      ARG  43 -38.480  -6.637 -10.926
  334   2HH2  ARG  43          1HH1      ARG  43 -38.672  -8.343 -11.158
  335    H    ASN  44           H        ASN  44 -39.006  -8.163  -5.324
  336    HA   ASN  44           HA       ASN  44 -39.483  -5.827  -3.637
  337   1HB   ASN  44          2HB       ASN  44 -37.857  -8.341  -3.299
  338   2HB   ASN  44          1HB       ASN  44 -37.647  -6.967  -2.219
  339   1HD2  ASN  44          2HD2      ASN  44 -40.771  -9.472  -1.824
  340   2HD2  ASN  44          1HD2      ASN  44 -39.577  -9.656  -3.059
  341    H    LEU  45           H        LEU  45 -36.856  -5.475  -2.635
  342    HA   LEU  45           HA       LEU  45 -35.129  -4.946  -4.887
  343   1HB   LEU  45          2HB       LEU  45 -36.739  -2.824  -3.606
  344   2HB   LEU  45          1HB       LEU  45 -35.049  -2.435  -3.859
  345    HG   LEU  45           HG       LEU  45 -36.948  -3.323  -6.033
  346   1HD1  LEU  45          3HD1      LEU  45 -36.636  -0.758  -4.791
  347   2HD1  LEU  45          2HD1      LEU  45 -36.051  -0.674  -6.452
  348   3HD1  LEU  45          1HD1      LEU  45 -37.689  -1.233  -6.123
  349   1HD2  LEU  45          2HD2      LEU  45 -34.041  -2.722  -5.936
  350   2HD2  LEU  45          1HD2      LEU  45 -34.923  -3.904  -6.902
  351   3HD2  LEU  45          3HD2      LEU  45 -34.945  -2.198  -7.356
  352    H    GLN  46           H        GLN  46 -33.484  -6.070  -3.965
  353    HA   GLN  46           HA       GLN  46 -32.650  -5.396  -1.240
  354   1HB   GLN  46          2HB       GLN  46 -31.623  -7.537  -3.116
  355   2HB   GLN  46          1HB       GLN  46 -31.143  -7.327  -1.436
  356   1HG   GLN  46          2HG       GLN  46 -33.484  -7.736  -0.757
  357   2HG   GLN  46          1HG       GLN  46 -33.884  -8.054  -2.446
  358   1HE2  GLN  46          2HE2      GLN  46 -33.340 -11.313  -0.886
  359   2HE2  GLN  46          1HE2      GLN  46 -34.463 -10.006  -0.765
  360    H    CYS  47           H        CYS  47 -30.163  -5.286  -0.952
  361    HA   CYS  47           HA       CYS  47 -29.051  -3.578  -3.093
  362   1HB   CYS  47          2HB       CYS  47 -29.570  -2.971  -0.359
  363   2HB   CYS  47          1HB       CYS  47 -27.826  -2.967  -0.579
  364    H    ILE  48           H        ILE  48 -27.524  -4.666  -4.132
  365    HA   ILE  48           HA       ILE  48 -25.810  -6.574  -2.740
  366    HB   ILE  48           HB       ILE  48 -26.278  -5.959  -5.641
  367   1HG1  ILE  48          2HG1      ILE  48 -27.628  -7.616  -4.033
  368   2HG1  ILE  48          1HG1      ILE  48 -27.355  -7.976  -5.733
  369   1HG2  ILE  48          3HG2      ILE  48 -24.007  -7.483  -4.420
  370   2HG2  ILE  48          2HG2      ILE  48 -24.602  -7.862  -6.036
  371   3HG2  ILE  48          1HG2      ILE  48 -23.970  -6.254  -5.685
  372   1HD1  ILE  48          1HD1      ILE  48 -25.444  -8.930  -3.640
  373   2HD1  ILE  48          3HD1      ILE  48 -26.929  -9.813  -3.995
  374   3HD1  ILE  48          2HD1      ILE  48 -25.728  -9.561  -5.263
  375    H    CYS  49           H        CYS  49 -23.858  -6.008  -1.978
  376    HA   CYS  49           HA       CYS  49 -22.600  -3.548  -2.991
  377   1HB   CYS  49          2HB       CYS  49 -22.129  -5.150  -0.475
  378   2HB   CYS  49          1HB       CYS  49 -21.125  -3.794  -0.964
  379    H    ASP  50           H        ASP  50 -20.954  -3.684  -4.369
  380    HA   ASP  50           HA       ASP  50 -19.648  -6.269  -4.773
  381   1HB   ASP  50          2HB       ASP  50 -20.414  -4.113  -6.488
  382   2HB   ASP  50          1HB       ASP  50 -18.665  -4.275  -6.593
  383    H    TYR  51           H        TYR  51 -17.486  -6.633  -4.527
  384    HA   TYR  51           HA       TYR  51 -15.972  -4.523  -3.121
  385   1HB   TYR  51          2HB       TYR  51 -16.013  -7.514  -2.821
  386   2HB   TYR  51          1HB       TYR  51 -14.674  -6.547  -2.209
  387    HD1  TYR  51           HD2      TYR  51 -18.419  -6.514  -2.098
  388    HD2  TYR  51           HD1      TYR  51 -14.768  -5.978   0.020
  389    HE1  TYR  51           HE2      TYR  51 -19.687  -6.096  -0.032
  390    HE2  TYR  51           HE1      TYR  51 -16.025  -5.561   2.093
  391    HH   TYR  51           HH       TYR  51 -18.220  -4.860   2.807
  392    H    CYS  52           H        CYS  52 -16.072  -6.406  -5.953
  393    HA   CYS  52           HA       CYS  52 -13.322  -5.586  -6.594
  394   1HB   CYS  52          2HB       CYS  52 -14.141  -8.206  -7.706
  395   2HB   CYS  52          1HB       CYS  52 -12.577  -7.678  -7.095
  396    H    GLU  53           H        GLU  53 -16.427  -5.236  -7.356
  397    HA   GLU  53           HA       GLU  53 -17.642  -4.873  -9.271
  398   1HB   GLU  53          2HB       GLU  53 -15.681  -3.010  -8.905
  399   2HB   GLU  53          1HB       GLU  53 -15.356  -3.504 -10.557
  400   1HG   GLU  53          2HG       GLU  53 -17.739  -3.043 -11.096
  401   2HG   GLU  53          1HG       GLU  53 -17.931  -2.403  -9.464
  402    H    TYR  54           HN       TYR  54 -17.322  -7.291  -9.668
  403    HA   TYR  54           HA       TYR  54 -15.620  -8.584 -11.252
  404   1HB   TYR  54          2HB       TYR  54 -17.362  -9.974 -10.781
  405   2HB   TYR  54          1HB       TYR  54 -18.561  -8.701 -10.967
  406    HD1  TYR  54           HD2      TYR  54 -19.183  -7.999 -13.343
  407    HD2  TYR  54           HD1      TYR  54 -17.060 -11.580 -12.465
  408    HE1  TYR  54           HE2      TYR  54 -19.826  -8.910 -15.535
  409    HE2  TYR  54           HE1      TYR  54 -17.697 -12.501 -14.656
  410    HH   TYR  54           HH       TYR  54 -18.424 -11.182 -17.065
   
  No H/Q in entry =         410
  Start of MODEL   28
    1    HN   PCA   1           HN       PCA   1 -13.710 -17.403  -6.192
    2    HA   PCA   1           HA       PCA   1 -12.520 -15.858  -4.531
    3   1HB   PCA   1          1HB       PCA   1 -12.353 -13.682  -5.139
    4   2HB   PCA   1          2HB       PCA   1 -14.123 -13.524  -5.221
    5   1HG   PCA   1          1HG       PCA   1 -12.217 -13.939  -7.394
    6   2HG   PCA   1          2HG       PCA   1 -13.958 -13.619  -7.497
    7    H    ASP   2           H        ASP   2 -13.501 -16.731  -2.810
    8    HA   ASP   2           HA       ASP   2 -16.134 -17.350  -2.437
    9   1HB   ASP   2          2HB       ASP   2 -14.655 -18.203  -0.831
   10   2HB   ASP   2          1HB       ASP   2 -13.972 -16.619  -0.481
   11    H    LYS   3           H        LYS   3 -14.571 -14.393  -1.188
   12    HA   LYS   3           HA       LYS   3 -17.190 -13.208  -0.720
   13   1HB   LYS   3          2HB       LYS   3 -14.612 -11.766  -0.240
   14   2HB   LYS   3          1HB       LYS   3 -16.132 -11.652   0.637
   15   1HG   LYS   3          2HG       LYS   3 -15.707 -13.979   1.478
   16   2HG   LYS   3          1HG       LYS   3 -14.095 -13.858   0.772
   17   1HD   LYS   3          2HD       LYS   3 -13.667 -11.860   2.152
   18   2HD   LYS   3          1HD       LYS   3 -15.264 -12.042   2.881
   19   1HE   LYS   3          2HE       LYS   3 -12.785 -13.616   3.303
   20   2HE   LYS   3          1HE       LYS   3 -14.029 -13.133   4.456
   21   1HZ   LYS   3          2HZ       LYS   3 -15.491 -14.802   3.236
   22   2HZ   LYS   3          1HZ       LYS   3 -14.059 -15.404   2.567
   23   3HZ   LYS   3          3HZ       LYS   3 -14.283 -15.421   4.244
   24    H    CYS   4           H        CYS   4 -17.793 -11.163  -1.519
   25    HA   CYS   4           HA       CYS   4 -16.451  -9.538  -3.272
   26   1HB   CYS   4          2HB       CYS   4 -17.264 -12.000  -4.549
   27   2HB   CYS   4          1HB       CYS   4 -18.074 -10.632  -5.307
   28    H    LYS   5           H        LYS   5 -19.664 -10.992  -3.819
   29    HA   LYS   5           HA       LYS   5 -20.846  -8.347  -3.384
   30   1HB   LYS   5          2HB       LYS   5 -22.961  -9.828  -4.155
   31   2HB   LYS   5          1HB       LYS   5 -21.880  -9.027  -5.281
   32   1HG   LYS   5          2HG       LYS   5 -20.569 -11.232  -5.302
   33   2HG   LYS   5          1HG       LYS   5 -22.010 -11.927  -4.552
   34   1HD   LYS   5          2HD       LYS   5 -23.332 -10.934  -6.447
   35   2HD   LYS   5          1HD       LYS   5 -21.794 -10.544  -7.215
   36   1HE   LYS   5          2HE       LYS   5 -21.196 -12.944  -7.146
   37   2HE   LYS   5          1HE       LYS   5 -22.786 -13.295  -6.468
   38   1HZ   LYS   5          1HZ       LYS   5 -22.273 -12.068  -9.126
   39   2HZ   LYS   5          3HZ       LYS   5 -22.737 -13.672  -8.853
   40   3HZ   LYS   5          2HZ       LYS   5 -23.798 -12.410  -8.478
   41    H    LYS   6           H        LYS   6 -22.189  -7.886  -1.701
   42    HA   LYS   6           HA       LYS   6 -23.092 -10.083   0.019
   43   1HB   LYS   6          2HB       LYS   6 -21.935  -7.688   1.375
   44   2HB   LYS   6          1HB       LYS   6 -22.069  -9.346   1.948
   45   1HG   LYS   6          2HG       LYS   6 -20.176  -8.475  -0.220
   46   2HG   LYS   6          1HG       LYS   6 -19.745  -8.547   1.487
   47   1HD   LYS   6          2HD       LYS   6 -20.966 -11.037   0.706
   48   2HD   LYS   6          1HD       LYS   6 -19.668 -10.646  -0.421
   49   1HE   LYS   6          2HE       LYS   6 -18.676 -11.912   1.305
   50   2HE   LYS   6          1HE       LYS   6 -18.206 -10.238   1.597
   51   1HZ   LYS   6          3HZ       LYS   6 -20.429 -11.649   2.973
   52   2HZ   LYS   6          2HZ       LYS   6 -18.894 -11.380   3.628
   53   3HZ   LYS   6          1HZ       LYS   6 -19.905 -10.069   3.284
   54    H    VAL   7           H        VAL   7 -25.204  -9.858   0.153
   55    HA   VAL   7           HA       VAL   7 -26.586  -7.452  -0.363
   56    HB   VAL   7           HB       VAL   7 -28.463  -8.709  -0.340
   57   1HG1  VAL   7          2HG1      VAL   7 -26.557 -10.160  -1.280
   58   2HG1  VAL   7          1HG1      VAL   7 -26.767 -11.116   0.188
   59   3HG1  VAL   7          3HG1      VAL   7 -28.111 -10.921  -0.936
   60   1HG2  VAL   7          2HG2      VAL   7 -27.512  -9.912   2.260
   61   2HG2  VAL   7          1HG2      VAL   7 -28.795  -8.725   2.026
   62   3HG2  VAL   7          3HG2      VAL   7 -29.009 -10.380   1.455
   63    H    TYR   8           H        TYR   8 -27.351  -5.886   0.959
   64    HA   TYR   8           HA       TYR   8 -26.183  -5.593   3.519
   65   1HB   TYR   8          2HB       TYR   8 -27.259  -3.836   1.818
   66   2HB   TYR   8          1HB       TYR   8 -28.657  -4.070   2.862
   67    HD1  TYR   8           HD1      TYR   8 -27.297  -4.457   5.484
   68    HD2  TYR   8           HD2      TYR   8 -26.560  -1.663   2.359
   69    HE1  TYR   8           HE1      TYR   8 -26.343  -2.885   7.118
   70    HE2  TYR   8           HE2      TYR   8 -25.610  -0.086   3.987
   71    HH   TYR   8           HH       TYR   8 -24.703   0.018   6.133
   72    H    GLU   9           H        GLU   9 -26.664  -6.971   5.101
   73    HA   GLU   9           HA       GLU   9 -29.058  -8.417   5.319
   74   1HB   GLU   9          2HB       GLU   9 -27.334  -7.800   7.688
   75   2HB   GLU   9          1HB       GLU   9 -28.203  -9.280   7.313
   76   1HG   GLU   9          2HG       GLU   9 -26.613  -9.565   5.370
   77   2HG   GLU   9          1HG       GLU   9 -25.669  -8.256   6.076
   78    H    ASN  10           H        ASN  10 -29.823  -5.799   4.964
   79    HA   ASN  10           HA       ASN  10 -31.855  -5.439   6.780
   80   1HB   ASN  10          2HB       ASN  10 -29.282  -4.266   7.673
   81   2HB   ASN  10          1HB       ASN  10 -30.691  -3.223   7.826
   82   1HD2  ASN  10          2HD2      ASN  10 -32.298  -5.828   9.937
   83   2HD2  ASN  10          1HD2      ASN  10 -32.620  -5.168   8.373
   84    H    TYR  11           H        TYR  11 -29.993  -2.580   6.261
   85    HA   TYR  11           HA       TYR  11 -31.078  -0.666   5.275
   86   1HB   TYR  11          2HB       TYR  11 -28.792  -1.480   4.390
   87   2HB   TYR  11          1HB       TYR  11 -29.687  -1.953   2.950
   88    HD1  TYR  11           HD2      TYR  11 -30.920  -0.182   1.656
   89    HD2  TYR  11           HD1      TYR  11 -28.207   0.768   4.791
   90    HE1  TYR  11           HE2      TYR  11 -30.765   2.124   0.813
   91    HE2  TYR  11           HE1      TYR  11 -28.046   3.075   3.959
   92    HH   TYR  11           HH       TYR  11 -29.220   4.018   0.913
   93    HA   PRO  12           HA       PRO  12 -34.688  -2.725   3.188
   94   1HB   PRO  12          2HB       PRO  12 -36.079  -0.503   4.566
   95   2HB   PRO  12          1HB       PRO  12 -36.458  -2.228   4.548
   96   1HG   PRO  12          2HG       PRO  12 -35.441  -1.053   6.724
   97   2HG   PRO  12          1HG       PRO  12 -34.988  -2.706   6.269
   98   1HD   PRO  12          2HD       PRO  12 -33.471  -0.151   5.889
   99   2HD   PRO  12          1HD       PRO  12 -32.879  -1.750   6.388
  100    H    VAL  13           H        VAL  13 -34.482  -2.165   1.110
  101    HA   VAL  13           HA       VAL  13 -33.867  -0.569  -0.594
  102    HB   VAL  13           HB       VAL  13 -36.860  -0.418  -0.227
  103   1HG1  VAL  13          3HG1      VAL  13 -35.646   1.005  -2.000
  104   2HG1  VAL  13          2HG1      VAL  13 -35.359  -0.525  -2.823
  105   3HG1  VAL  13          1HG1      VAL  13 -37.010   0.016  -2.517
  106   1HG2  VAL  13          2HG2      VAL  13 -36.056  -2.724  -0.022
  107   2HG2  VAL  13          1HG2      VAL  13 -36.987  -2.482  -1.500
  108   3HG2  VAL  13          3HG2      VAL  13 -35.227  -2.567  -1.570
  109    H    SER  14           H        SER  14 -36.684   1.263  -0.098
  110    HA   SER  14           HA       SER  14 -37.068   3.344   0.845
  111   1HB   SER  14          2HB       SER  14 -35.528   4.435   2.186
  112   2HB   SER  14          1HB       SER  14 -34.981   2.765   2.337
  113    HG   SER  14           HG       SER  14 -33.521   4.748   1.611
  114    H    LYS  15           H        LYS  15 -34.161   2.979  -1.160
  115    HA   LYS  15           HA       LYS  15 -35.216   4.552  -3.259
  116   1HB   LYS  15          2HB       LYS  15 -34.324   6.094  -1.180
  117   2HB   LYS  15          1HB       LYS  15 -32.889   6.023  -2.183
  118   1HG   LYS  15          2HG       LYS  15 -33.816   7.834  -3.156
  119   2HG   LYS  15          1HG       LYS  15 -34.718   6.621  -4.065
  120   1HD   LYS  15          2HD       LYS  15 -36.624   6.868  -2.658
  121   2HD   LYS  15          1HD       LYS  15 -35.717   7.828  -1.486
  122   1HE   LYS  15          2HE       LYS  15 -36.161   8.698  -4.331
  123   2HE   LYS  15          1HE       LYS  15 -37.255   9.119  -3.013
  124   1HZ   LYS  15          2HZ       LYS  15 -35.033   9.920  -1.919
  125   2HZ   LYS  15          1HZ       LYS  15 -34.521  10.037  -3.527
  126   3HZ   LYS  15          3HZ       LYS  15 -35.870  10.913  -3.004
  127    H    CYS  16           H        CYS  16 -34.435   2.424  -4.086
  128    HA   CYS  16           HA       CYS  16 -31.675   1.804  -4.153
  129   1HB   CYS  16          2HB       CYS  16 -34.119   0.792  -5.504
  130   2HB   CYS  16          1HB       CYS  16 -32.582   0.435  -6.284
  131    H    GLN  17           H        GLN  17 -33.778   2.996  -6.787
  132    HA   GLN  17           HA       GLN  17 -33.340   4.285  -8.609
  133   1HB   GLN  17          2HB       GLN  17 -30.810   5.318  -7.413
  134   2HB   GLN  17          1HB       GLN  17 -32.078   6.179  -8.275
  135   1HG   GLN  17          2HG       GLN  17 -33.483   5.523  -6.135
  136   2HG   GLN  17          1HG       GLN  17 -31.879   5.463  -5.403
  137   1HE2  GLN  17          2HE2      GLN  17 -33.674   8.972  -6.160
  138   2HE2  GLN  17          1HE2      GLN  17 -34.425   7.443  -6.447
  139    H    LEU  18           H        LEU  18 -31.726   1.659  -7.956
  140    HA   LEU  18           HA       LEU  18 -29.894   0.517  -8.817
  141   1HB   LEU  18          2HB       LEU  18 -31.487   1.429 -11.203
  142   2HB   LEU  18          1HB       LEU  18 -30.226   0.216 -11.278
  143    HG   LEU  18           HG       LEU  18 -31.578  -1.079  -9.538
  144   1HD1  LEU  18          2HD1      LEU  18 -33.567   1.024 -10.339
  145   2HD1  LEU  18          1HD1      LEU  18 -34.050  -0.544  -9.691
  146   3HD1  LEU  18          3HD1      LEU  18 -33.065   0.548  -8.717
  147   1HD2  LEU  18          1HD2      LEU  18 -31.424  -1.725 -11.894
  148   2HD2  LEU  18          3HD2      LEU  18 -33.028  -2.047 -11.238
  149   3HD2  LEU  18          2HD2      LEU  18 -32.766  -0.647 -12.276
  150    H    ALA  19           H        ALA  19 -29.208   3.326  -8.376
  151    HA   ALA  19           HA       ALA  19 -26.719   3.421  -9.592
  152   1HB   ALA  19          3HB       ALA  19 -28.863   4.797 -11.149
  153   2HB   ALA  19          2HB       ALA  19 -27.214   5.425 -11.155
  154   3HB   ALA  19          1HB       ALA  19 -27.535   3.786 -11.719
  155    H    ASN  20           H        ASN  20 -27.955   4.023  -7.079
  156    HA   ASN  20           HA       ASN  20 -26.574   6.428  -6.473
  157   1HB   ASN  20          2HB       ASN  20 -28.979   7.031  -7.465
  158   2HB   ASN  20          1HB       ASN  20 -29.467   6.711  -5.804
  159   1HD2  ASN  20          2HD2      ASN  20 -26.798   9.312  -4.949
  160   2HD2  ASN  20          1HD2      ASN  20 -26.721   7.587  -4.935
  161    H    GLN  21           H        GLN  21 -28.607   6.850  -4.232
  162    HA   GLN  21           HA       GLN  21 -27.871   6.305  -1.962
  163   1HB   GLN  21          2HB       GLN  21 -30.382   5.890  -2.959
  164   2HB   GLN  21          1HB       GLN  21 -30.037   4.327  -2.233
  165   1HG   GLN  21          2HG       GLN  21 -30.945   5.363  -0.431
  166   2HG   GLN  21          1HG       GLN  21 -29.268   5.861  -0.209
  167   1HE2  GLN  21          2HE2      GLN  21 -30.132   9.122  -1.799
  168   2HE2  GLN  21          1HE2      GLN  21 -29.149   7.778  -2.258
  169    H    CYS  22           H        CYS  22 -28.874   3.249  -3.479
  170    HA   CYS  22           HA       CYS  22 -27.430   1.582  -1.765
  171   1HB   CYS  22          2HB       CYS  22 -29.313   1.008  -3.438
  172   2HB   CYS  22          1HB       CYS  22 -28.023   0.864  -4.627
  173    H    ASN  23           H        ASN  23 -26.670   2.208  -5.197
  174    HA   ASN  23           HA       ASN  23 -24.137   1.118  -5.219
  175   1HB   ASN  23          2HB       ASN  23 -25.471   1.988  -7.202
  176   2HB   ASN  23          1HB       ASN  23 -24.896   3.597  -6.773
  177   1HD2  ASN  23          2HD2      ASN  23 -22.524   2.663  -9.260
  178   2HD2  ASN  23          1HD2      ASN  23 -24.110   3.317  -9.058
  179    H    TYR  24           H        TYR  24 -24.989   4.537  -4.726
  180    HA   TYR  24           HA       TYR  24 -22.446   5.504  -4.183
  181   1HB   TYR  24          2HB       TYR  24 -23.978   7.207  -4.425
  182   2HB   TYR  24          1HB       TYR  24 -25.219   6.367  -3.503
  183    HD1  TYR  24           HD1      TYR  24 -22.065   8.295  -3.176
  184    HD2  TYR  24           HD2      TYR  24 -25.546   6.829  -1.221
  185    HE1  TYR  24           HE1      TYR  24 -21.537   9.679  -1.213
  186    HE2  TYR  24           HE2      TYR  24 -25.028   8.208   0.749
  187    HH   TYR  24           HH       TYR  24 -22.261   9.385   1.497
  188    H    ASP  25           H        ASP  25 -24.849   4.106  -1.982
  189    HA   ASP  25           HA       ASP  25 -23.484   4.487   0.418
  190   1HB   ASP  25          2HB       ASP  25 -25.507   2.461  -0.485
  191   2HB   ASP  25          1HB       ASP  25 -24.778   2.340   1.112
  192    H    CYS  26           H        CYS  26 -23.625   1.391  -1.390
  193    HA   CYS  26           HA       CYS  26 -21.636   0.119   0.060
  194   1HB   CYS  26          2HB       CYS  26 -22.127  -0.207  -2.911
  195   2HB   CYS  26          1HB       CYS  26 -21.351  -1.372  -1.849
  196    H    LYS  27           H        LYS  27 -21.330   1.965  -2.943
  197    HA   LYS  27           HA       LYS  27 -18.564   1.807  -3.237
  198   1HB   LYS  27          2HB       LYS  27 -20.365   2.632  -4.879
  199   2HB   LYS  27          1HB       LYS  27 -20.167   4.195  -4.100
  200   1HG   LYS  27          2HG       LYS  27 -17.862   4.295  -4.750
  201   2HG   LYS  27          1HG       LYS  27 -17.923   2.646  -5.375
  202   1HD   LYS  27          2HD       LYS  27 -19.077   3.254  -7.258
  203   2HD   LYS  27          1HD       LYS  27 -19.853   4.629  -6.471
  204   1HE   LYS  27          2HE       LYS  27 -17.645   5.786  -6.468
  205   2HE   LYS  27          1HE       LYS  27 -16.994   4.447  -7.409
  206   1HZ   LYS  27          1HZ       LYS  27 -18.887   4.977  -9.022
  207   2HZ   LYS  27          3HZ       LYS  27 -18.998   6.459  -8.212
  208   3HZ   LYS  27          2HZ       LYS  27 -17.560   6.027  -8.991
  209    H    LEU  28           H        LEU  28 -19.824   2.960  -0.504
  210    HA   LEU  28           HA       LEU  28 -17.506   4.546   0.048
  211   1HB   LEU  28          2HB       LEU  28 -19.228   6.026  -1.244
  212   2HB   LEU  28          1HB       LEU  28 -20.048   6.096   0.303
  213    HG   LEU  28           HG       LEU  28 -18.757   8.029   0.283
  214   1HD1  LEU  28          2HD1      LEU  28 -18.436   6.613   2.320
  215   2HD1  LEU  28          1HD1      LEU  28 -16.909   6.069   1.626
  216   3HD1  LEU  28          3HD1      LEU  28 -17.146   7.773   2.012
  217   1HD2  LEU  28          2HD2      LEU  28 -16.531   6.372  -0.892
  218   2HD2  LEU  28          1HD2      LEU  28 -17.451   7.651  -1.683
  219   3HD2  LEU  28          3HD2      LEU  28 -16.351   8.043  -0.362
  220    H    ASP  29           H        ASP  29 -20.864   4.066   1.185
  221    HA   ASP  29           HA       ASP  29 -20.231   4.441   3.912
  222   1HB   ASP  29          2HB       ASP  29 -22.580   3.461   2.383
  223   2HB   ASP  29          1HB       ASP  29 -22.501   3.006   4.081
  224    H    LYS  30           H        LYS  30 -19.402   1.922   1.883
  225    HA   LYS  30           HA       LYS  30 -18.737   0.239   4.175
  226   1HB   LYS  30          2HB       LYS  30 -20.653  -0.456   2.048
  227   2HB   LYS  30          1HB       LYS  30 -19.412  -1.671   2.287
  228   1HG   LYS  30          2HG       LYS  30 -20.701  -2.504   3.912
  229   2HG   LYS  30          1HG       LYS  30 -20.276  -1.096   4.877
  230   1HD   LYS  30          2HD       LYS  30 -22.593  -1.084   4.937
  231   2HD   LYS  30          1HD       LYS  30 -22.232   0.055   3.640
  232   1HE   LYS  30          2HE       LYS  30 -22.366  -2.365   2.316
  233   2HE   LYS  30          1HE       LYS  30 -23.629  -2.512   3.537
  234   1HZ   LYS  30          3HZ       LYS  30 -24.414  -0.274   2.745
  235   2HZ   LYS  30          2HZ       LYS  30 -23.364  -0.448   1.431
  236   3HZ   LYS  30          1HZ       LYS  30 -24.626  -1.552   1.656
  237    H    HIS  31           H        HIS  31 -17.328   2.020   2.270
  238    HA   HIS  31           HA       HIS  31 -15.531   2.027   0.832
  239   1HB   HIS  31          2HB       HIS  31 -14.472  -0.171   2.589
  240   2HB   HIS  31          1HB       HIS  31 -13.604   1.183   1.871
  241    HD1  HIS  31           HD1      HIS  31 -14.693   0.093   5.023
  242    HD2  HIS  31           HD2      HIS  31 -14.801   3.761   3.073
  243    HE1  HIS  31           HE1      HIS  31 -14.963   1.812   6.838
  244    HE2  HIS  31           HE2      HIS  31 -14.995   4.028   5.639
  245    H    ALA  32           H        ALA  32 -17.565   0.369  -0.189
  246    HA   ALA  32           HA       ALA  32 -16.310  -2.086  -1.090
  247   1HB   ALA  32          3HB       ALA  32 -18.754  -1.908  -0.511
  248   2HB   ALA  32          2HB       ALA  32 -18.959  -0.956  -1.981
  249   3HB   ALA  32          1HB       ALA  32 -18.404  -2.628  -2.083
  250    H    ARG  33           H        ARG  33 -16.954  -2.454  -3.620
  251    HA   ARG  33           HA       ARG  33 -15.382  -0.427  -5.029
  252   1HB   ARG  33          2HB       ARG  33 -16.042  -3.304  -5.534
  253   2HB   ARG  33          1HB       ARG  33 -15.618  -2.283  -6.899
  254   1HG   ARG  33          2HG       ARG  33 -13.548  -1.669  -5.407
  255   2HG   ARG  33          1HG       ARG  33 -13.934  -3.203  -4.624
  256   1HD   ARG  33          2HD       ARG  33 -12.819  -2.667  -7.298
  257   2HD   ARG  33          1HD       ARG  33 -12.620  -4.071  -6.248
  258    HE   ARG  33           HE       ARG  33 -15.237  -4.042  -7.277
  259   1HH1  ARG  33          1HH2      ARG  33 -11.948  -4.565  -8.304
  260   2HH1  ARG  33          2HH2      ARG  33 -12.386  -5.632  -9.597
  261   1HH2  ARG  33          2HH1      ARG  33 -15.821  -5.445  -8.982
  262   2HH2  ARG  33          1HH1      ARG  33 -14.584  -6.133  -9.981
  263    H    SER  34           H        SER  34 -18.464  -2.168  -5.285
  264    HA   SER  34           HA       SER  34 -19.789   0.100  -6.364
  265   1HB   SER  34          2HB       SER  34 -20.384  -1.198  -8.559
  266   2HB   SER  34          1HB       SER  34 -18.876  -0.290  -8.467
  267    HG   SER  34           HG       SER  34 -18.284  -2.638  -7.539
  268    H    GLY  35           H        GLY  35 -21.890  -0.045  -5.896
  269   1HA   GLY  35          2HA       GLY  35 -22.909  -2.662  -5.004
  270   2HA   GLY  35          1HA       GLY  35 -23.553  -1.095  -4.537
  271    H    GLU  36           H        GLU  36 -25.383  -2.831  -5.263
  272    HA   GLU  36           HA       GLU  36 -26.666  -1.606  -7.443
  273   1HB   GLU  36          2HB       GLU  36 -24.789  -3.299  -8.397
  274   2HB   GLU  36          1HB       GLU  36 -26.132  -4.420  -8.233
  275   1HG   GLU  36          2HG       GLU  36 -27.434  -3.276  -9.792
  276   2HG   GLU  36          1HG       GLU  36 -26.462  -1.811  -9.670
  277    H    CYS  37           H        CYS  37 -28.811  -2.039  -7.425
  278    HA   CYS  37           HA       CYS  37 -29.749  -3.771  -5.295
  279   1HB   CYS  37          2HB       CYS  37 -30.972  -1.598  -6.946
  280   2HB   CYS  37          1HB       CYS  37 -32.018  -2.741  -6.113
  281    H    PHE  38           H        PHE  38 -30.139  -5.838  -5.720
  282    HA   PHE  38           HA       PHE  38 -30.992  -6.624  -8.416
  283   1HB   PHE  38          2HB       PHE  38 -29.683  -8.047  -6.138
  284   2HB   PHE  38          1HB       PHE  38 -30.649  -8.988  -7.267
  285    HD1  PHE  38           HD2      PHE  38 -27.797  -6.627  -7.071
  286    HD2  PHE  38           HD1      PHE  38 -29.769  -9.656  -9.318
  287    HE1  PHE  38           HE2      PHE  38 -25.888  -6.714  -8.619
  288    HE2  PHE  38           HE1      PHE  38 -27.862  -9.749 -10.871
  289    HZ   PHE  38           HZ       PHE  38 -25.918  -8.278 -10.521
  290    H    TYR  39           H        TYR  39 -32.924  -7.658  -8.815
  291    HA   TYR  39           HA       TYR  39 -34.961  -7.280  -6.811
  292   1HB   TYR  39          2HB       TYR  39 -35.021  -8.141  -9.691
  293   2HB   TYR  39          1HB       TYR  39 -36.454  -8.246  -8.675
  294    HD1  TYR  39           HD1      TYR  39 -33.790  -5.709  -9.387
  295    HD2  TYR  39           HD2      TYR  39 -37.938  -6.509  -8.914
  296    HE1  TYR  39           HE1      TYR  39 -34.297  -3.351  -9.867
  297    HE2  TYR  39           HE2      TYR  39 -38.457  -4.159  -9.392
  298    HH   TYR  39           HH       TYR  39 -36.125  -1.725  -9.412
  299    H    ASP  40           H        ASP  40 -36.745  -9.317  -7.235
  300    HA   ASP  40           HA       ASP  40 -35.612 -11.902  -7.129
  301   1HB   ASP  40          2HB       ASP  40 -36.194 -12.234  -4.622
  302   2HB   ASP  40          1HB       ASP  40 -34.665 -11.473  -5.044
  303    H    GLU  41           H        GLU  41 -37.092 -13.557  -6.680
  304    HA   GLU  41           HA       GLU  41 -39.141 -14.344  -7.548
  305   1HB   GLU  41          2HB       GLU  41 -39.625 -13.441  -4.710
  306   2HB   GLU  41          1HB       GLU  41 -40.561 -14.658  -5.567
  307   1HG   GLU  41          2HG       GLU  41 -38.198 -15.771  -5.880
  308   2HG   GLU  41          1HG       GLU  41 -37.810 -14.809  -4.456
  309    H    LYS  42           H        LYS  42 -40.463 -11.917  -5.345
  310    HA   LYS  42           HA       LYS  42 -42.403 -11.192  -7.392
  311   1HB   LYS  42          2HB       LYS  42 -42.267 -11.045  -4.440
  312   2HB   LYS  42          1HB       LYS  42 -43.146  -9.737  -5.219
  313   1HG   LYS  42          2HG       LYS  42 -44.735 -11.389  -4.700
  314   2HG   LYS  42          1HG       LYS  42 -44.463 -11.496  -6.439
  315   1HD   LYS  42          2HD       LYS  42 -42.649 -13.272  -5.682
  316   2HD   LYS  42          1HD       LYS  42 -43.705 -13.390  -4.273
  317   1HE   LYS  42          2HE       LYS  42 -45.618 -13.744  -5.861
  318   2HE   LYS  42          1HE       LYS  42 -44.431 -13.855  -7.160
  319   1HZ   LYS  42          1HZ       LYS  42 -44.182 -15.578  -4.783
  320   2HZ   LYS  42          3HZ       LYS  42 -45.258 -15.997  -6.020
  321   3HZ   LYS  42          2HZ       LYS  42 -43.607 -15.837  -6.352
  322    H    ARG  43           H        ARG  43 -40.310 -10.247  -8.436
  323    HA   ARG  43           HA       ARG  43 -38.893  -8.488  -8.821
  324   1HB   ARG  43          2HB       ARG  43 -41.632  -7.228  -8.992
  325   2HB   ARG  43          1HB       ARG  43 -40.178  -6.629  -9.780
  326   1HG   ARG  43          2HG       ARG  43 -41.171  -9.401 -10.316
  327   2HG   ARG  43          1HG       ARG  43 -41.869  -8.010 -11.145
  328   1HD   ARG  43          2HD       ARG  43 -39.776  -7.432 -12.115
  329   2HD   ARG  43          1HD       ARG  43 -38.913  -8.583 -11.097
  330    HE   ARG  43           HE       ARG  43 -40.757 -10.029 -12.585
  331   1HH1  ARG  43          1HH2      ARG  43 -37.940  -8.055 -13.145
  332   2HH1  ARG  43          2HH2      ARG  43 -37.477  -8.898 -14.587
  333   1HH2  ARG  43          1HH1      ARG  43 -38.734 -10.652 -15.346
  334   2HH2  ARG  43          2HH1      ARG  43 -40.154 -11.142 -14.483
  335    H    ASN  44           H        ASN  44 -38.397  -8.614  -6.333
  336    HA   ASN  44           HA       ASN  44 -39.174  -6.129  -4.996
  337   1HB   ASN  44          2HB       ASN  44 -38.605  -8.774  -4.093
  338   2HB   ASN  44          1HB       ASN  44 -37.374  -7.727  -3.404
  339   1HD2  ASN  44          2HD2      ASN  44 -41.130  -7.725  -1.993
  340   2HD2  ASN  44          1HD2      ASN  44 -40.596  -8.770  -3.260
  341    H    LEU  45           H        LEU  45 -36.704  -6.050  -3.398
  342    HA   LEU  45           HA       LEU  45 -34.565  -5.634  -5.286
  343   1HB   LEU  45          2HB       LEU  45 -35.877  -3.298  -3.901
  344   2HB   LEU  45          1HB       LEU  45 -34.252  -3.230  -4.554
  345    HG   LEU  45           HG       LEU  45 -35.474  -4.061  -6.760
  346   1HD1  LEU  45          1HD1      LEU  45 -37.691  -3.772  -5.154
  347   2HD1  LEU  45          3HD1      LEU  45 -37.658  -2.255  -6.045
  348   3HD1  LEU  45          2HD1      LEU  45 -37.685  -3.788  -6.913
  349   1HD2  LEU  45          1HD2      LEU  45 -34.141  -2.026  -6.529
  350   2HD2  LEU  45          3HD2      LEU  45 -35.593  -1.743  -7.488
  351   3HD2  LEU  45          2HD2      LEU  45 -35.522  -1.199  -5.812
  352    H    GLN  46           H        GLN  46 -32.566  -5.660  -4.351
  353    HA   GLN  46           HA       GLN  46 -32.356  -5.476  -1.440
  354   1HB   GLN  46          2HB       GLN  46 -31.868  -7.928  -3.069
  355   2HB   GLN  46          1HB       GLN  46 -30.793  -7.610  -1.715
  356   1HG   GLN  46          2HG       GLN  46 -32.483  -7.831  -0.149
  357   2HG   GLN  46          1HG       GLN  46 -33.755  -7.542  -1.336
  358   1HE2  GLN  46          2HE2      GLN  46 -32.001 -11.139  -1.972
  359   2HE2  GLN  46          1HE2      GLN  46 -31.115  -9.658  -2.054
  360    H    CYS  47           H        CYS  47 -30.555  -4.460  -0.815
  361    HA   CYS  47           HA       CYS  47 -28.842  -3.340  -2.794
  362   1HB   CYS  47          2HB       CYS  47 -29.352  -2.971   0.062
  363   2HB   CYS  47          1HB       CYS  47 -27.659  -2.740  -0.367
  364    H    ILE  48           H        ILE  48 -27.463  -4.669  -3.801
  365    HA   ILE  48           HA       ILE  48 -25.809  -6.502  -2.229
  366    HB   ILE  48           HB       ILE  48 -26.349  -6.266  -5.178
  367   1HG1  ILE  48          2HG1      ILE  48 -26.656  -8.470  -3.126
  368   2HG1  ILE  48          1HG1      ILE  48 -27.948  -7.572  -3.913
  369   1HG2  ILE  48          2HG2      ILE  48 -24.146  -7.833  -3.842
  370   2HG2  ILE  48          1HG2      ILE  48 -24.710  -8.140  -5.482
  371   3HG2  ILE  48          3HG2      ILE  48 -23.977  -6.590  -5.082
  372   1HD1  ILE  48          1HD1      ILE  48 -26.662  -8.619  -6.054
  373   2HD1  ILE  48          3HD1      ILE  48 -26.408  -9.878  -4.847
  374   3HD1  ILE  48          2HD1      ILE  48 -28.044  -9.361  -5.250
  375    H    CYS  49           H        CYS  49 -23.952  -5.727  -1.458
  376    HA   CYS  49           HA       CYS  49 -22.641  -3.498  -2.845
  377   1HB   CYS  49          2HB       CYS  49 -22.134  -4.745  -0.135
  378   2HB   CYS  49          1HB       CYS  49 -21.197  -3.416  -0.805
  379    H    ASP  50           H        ASP  50 -21.085  -3.911  -4.267
  380    HA   ASP  50           HA       ASP  50 -19.754  -6.516  -4.225
  381   1HB   ASP  50          2HB       ASP  50 -20.796  -5.227  -6.318
  382   2HB   ASP  50          1HB       ASP  50 -19.186  -4.512  -6.363
  383    H    TYR  51           H        TYR  51 -17.930  -6.763  -3.293
  384    HA   TYR  51           HA       TYR  51 -16.175  -4.483  -2.764
  385   1HB   TYR  51          2HB       TYR  51 -16.307  -7.283  -1.642
  386   2HB   TYR  51          1HB       TYR  51 -15.053  -6.122  -1.210
  387    HD1  TYR  51           HD2      TYR  51 -18.589  -7.000  -0.887
  388    HD2  TYR  51           HD1      TYR  51 -15.561  -4.252   0.256
  389    HE1  TYR  51           HE2      TYR  51 -20.058  -6.144   0.884
  390    HE2  TYR  51           HE1      TYR  51 -17.015  -3.380   2.037
  391    HH   TYR  51           HH       TYR  51 -19.377  -4.792   3.337
  392    H    CYS  52           H        CYS  52 -15.152  -7.814  -2.934
  393    HA   CYS  52           HA       CYS  52 -13.606  -8.901  -4.187
  394   1HB   CYS  52          2HB       CYS  52 -14.267  -6.905  -6.354
  395   2HB   CYS  52          1HB       CYS  52 -13.566  -8.507  -6.564
  396    H    GLU  53           H        GLU  53 -12.905  -6.510  -2.585
  397    HA   GLU  53           HA       GLU  53 -10.324  -5.897  -3.878
  398   1HB   GLU  53          2HB       GLU  53 -11.836  -3.929  -3.856
  399   2HB   GLU  53          1HB       GLU  53 -11.931  -4.045  -2.104
  400   1HG   GLU  53          2HG       GLU  53  -9.659  -3.465  -1.845
  401   2HG   GLU  53          1HG       GLU  53  -9.333  -3.686  -3.564
  402    H    TYR  54           HN       TYR  54 -11.773  -7.532  -1.460
  403    HA   TYR  54           HA       TYR  54 -10.074  -6.874   0.746
  404   1HB   TYR  54          2HB       TYR  54 -12.164  -8.920   0.183
  405   2HB   TYR  54          1HB       TYR  54 -11.017  -9.272   1.473
  406    HD1  TYR  54           HD2      TYR  54 -12.119  -5.860   0.654
  407    HD2  TYR  54           HD1      TYR  54 -12.629  -9.191   3.249
  408    HE1  TYR  54           HE2      TYR  54 -13.423  -4.453   2.191
  409    HE2  TYR  54           HE1      TYR  54 -13.938  -7.795   4.794
  410    HH   TYR  54           HH       TYR  54 -14.430  -5.611   5.336
   
  No H/Q in entry =         410
  Start of MODEL   29
    1    HN   PCA   1           HN       PCA   1 -15.318 -15.015   4.864
    2    HA   PCA   1           HA       PCA   1 -17.720 -14.269   4.394
    3   1HB   PCA   1          1HB       PCA   1 -18.434 -12.467   5.562
    4   2HB   PCA   1          2HB       PCA   1 -17.195 -11.440   4.806
    5   1HG   PCA   1          1HG       PCA   1 -17.183 -12.657   7.450
    6   2HG   PCA   1          2HG       PCA   1 -15.994 -11.546   6.743
    7    H    ASP   2           H        ASP   2 -15.450 -14.833   2.858
    8    HA   ASP   2           HA       ASP   2 -14.742 -12.693   1.128
    9   1HB   ASP   2          2HB       ASP   2 -13.256 -14.587   1.362
   10   2HB   ASP   2          1HB       ASP   2 -14.505 -15.689   0.788
   11    H    LYS   3           H        LYS   3 -17.401 -12.476   1.237
   12    HA   LYS   3           HA       LYS   3 -18.639 -13.837  -1.003
   13   1HB   LYS   3          2HB       LYS   3 -19.547 -12.048   1.190
   14   2HB   LYS   3          1HB       LYS   3 -20.491 -12.018  -0.295
   15   1HG   LYS   3          2HG       LYS   3 -19.830 -14.691   0.782
   16   2HG   LYS   3          1HG       LYS   3 -20.964 -13.722   1.725
   17   1HD   LYS   3          2HD       LYS   3 -22.308 -13.400  -0.351
   18   2HD   LYS   3          1HD       LYS   3 -21.220 -14.521  -1.174
   19   1HE   LYS   3          2HE       LYS   3 -21.811 -16.256   0.473
   20   2HE   LYS   3          1HE       LYS   3 -22.940 -15.132   1.228
   21   1HZ   LYS   3          1HZ       LYS   3 -23.124 -15.938  -1.619
   22   2HZ   LYS   3          3HZ       LYS   3 -23.942 -16.744  -0.376
   23   3HZ   LYS   3          2HZ       LYS   3 -24.283 -15.119  -0.700
   24    H    CYS   4           H        CYS   4 -18.681 -13.140  -2.999
   25    HA   CYS   4           HA       CYS   4 -17.404 -10.703  -3.752
   26   1HB   CYS   4          2HB       CYS   4 -18.691 -12.996  -5.143
   27   2HB   CYS   4          1HB       CYS   4 -18.526 -11.494  -6.053
   28    H    LYS   5           H        LYS   5 -20.530 -11.450  -2.736
   29    HA   LYS   5           HA       LYS   5 -21.489  -8.824  -3.590
   30   1HB   LYS   5          2HB       LYS   5 -22.584 -11.437  -4.453
   31   2HB   LYS   5          1HB       LYS   5 -23.784 -10.284  -3.896
   32   1HG   LYS   5          2HG       LYS   5 -23.757  -9.788  -6.115
   33   2HG   LYS   5          1HG       LYS   5 -22.516  -8.669  -5.559
   34   1HD   LYS   5          2HD       LYS   5 -21.429  -9.626  -7.329
   35   2HD   LYS   5          1HD       LYS   5 -20.935 -10.724  -6.044
   36   1HE   LYS   5          2HE       LYS   5 -23.177 -11.959  -6.778
   37   2HE   LYS   5          1HE       LYS   5 -22.798 -11.164  -8.306
   38   1HZ   LYS   5          2HZ       LYS   5 -20.787 -12.761  -6.837
   39   2HZ   LYS   5          1HZ       LYS   5 -21.856 -13.471  -7.939
   40   3HZ   LYS   5          3HZ       LYS   5 -20.767 -12.284  -8.460
   41    H    LYS   6           H        LYS   6 -21.491  -8.018  -1.529
   42    HA   LYS   6           HA       LYS   6 -22.828  -9.531   0.585
   43   1HB   LYS   6          2HB       LYS   6 -21.226  -6.971   0.639
   44   2HB   LYS   6          1HB       LYS   6 -22.000  -7.676   2.054
   45   1HG   LYS   6          2HG       LYS   6 -20.658  -9.763   1.604
   46   2HG   LYS   6          1HG       LYS   6 -19.763  -8.826   0.408
   47   1HD   LYS   6          2HD       LYS   6 -18.742  -7.515   2.000
   48   2HD   LYS   6          1HD       LYS   6 -20.038  -7.742   3.176
   49   1HE   LYS   6          2HE       LYS   6 -19.272  -9.855   3.795
   50   2HE   LYS   6          1HE       LYS   6 -18.312 -10.039   2.328
   51   1HZ   LYS   6          2HZ       LYS   6 -16.843  -8.267   3.164
   52   2HZ   LYS   6          1HZ       LYS   6 -17.732  -8.220   4.602
   53   3HZ   LYS   6          3HZ       LYS   6 -16.875  -9.618   4.183
   54    H    VAL   7           H        VAL   7 -24.974  -9.358   0.587
   55    HA   VAL   7           HA       VAL   7 -26.407  -7.155  -0.439
   56    HB   VAL   7           HB       VAL   7 -28.340  -8.282   0.048
   57   1HG1  VAL   7          2HG1      VAL   7 -26.780  -9.682  -1.285
   58   2HG1  VAL   7          1HG1      VAL   7 -26.342 -10.531   0.197
   59   3HG1  VAL   7          3HG1      VAL   7 -27.997 -10.606  -0.406
   60   1HG2  VAL   7          3HG2      VAL   7 -26.937  -9.285   2.503
   61   2HG2  VAL   7          2HG2      VAL   7 -28.409  -8.321   2.382
   62   3HG2  VAL   7          1HG2      VAL   7 -28.431 -10.024   1.926
   63    H    TYR   8           H        TYR   8 -27.085  -5.303   0.454
   64    HA   TYR   8           HA       TYR   8 -26.145  -4.579   3.060
   65   1HB   TYR   8          2HB       TYR   8 -26.556  -3.106   0.906
   66   2HB   TYR   8          1HB       TYR   8 -28.162  -2.927   1.599
   67    HD1  TYR   8           HD1      TYR   8 -27.735  -2.638   4.431
   68    HD2  TYR   8           HD2      TYR   8 -25.363  -1.168   1.218
   69    HE1  TYR   8           HE1      TYR   8 -26.911  -0.838   5.875
   70    HE2  TYR   8           HE2      TYR   8 -24.524   0.638   2.660
   71    HH   TYR   8           HH       TYR   8 -25.497   0.868   6.067
   72    H    GLU   9           H        GLU   9 -27.487  -6.624   3.735
   73    HA   GLU   9           HA       GLU   9 -29.450  -7.552   4.583
   74   1HB   GLU   9          2HB       GLU   9 -29.041  -5.142   6.355
   75   2HB   GLU   9          1HB       GLU   9 -29.765  -6.681   6.809
   76   1HG   GLU   9          2HG       GLU   9 -27.423  -7.608   6.015
   77   2HG   GLU   9          1HG       GLU   9 -26.914  -5.967   6.408
   78    H    ASN  10           H        ASN  10 -31.328  -6.092   6.232
   79    HA   ASN  10           HA       ASN  10 -33.389  -5.697   4.389
   80   1HB   ASN  10          2HB       ASN  10 -33.261  -4.600   7.202
   81   2HB   ASN  10          1HB       ASN  10 -34.714  -4.928   6.260
   82   1HD2  ASN  10          2HD2      ASN  10 -34.632  -7.803   8.351
   83   2HD2  ASN  10          1HD2      ASN  10 -35.146  -6.155   8.300
   84    H    TYR  11           H        TYR  11 -31.680  -4.181   3.131
   85    HA   TYR  11           HA       TYR  11 -31.319  -1.530   3.791
   86   1HB   TYR  11          2HB       TYR  11 -30.420  -2.764   1.758
   87   2HB   TYR  11          1HB       TYR  11 -31.980  -2.490   0.995
   88    HD1  TYR  11           HD2      TYR  11 -28.940  -0.844   2.287
   89    HD2  TYR  11           HD1      TYR  11 -32.542  -0.356   0.076
   90    HE1  TYR  11           HE2      TYR  11 -28.162   1.356   1.515
   91    HE2  TYR  11           HE1      TYR  11 -31.774   1.846  -0.703
   92    HH   TYR  11           HH       TYR  11 -29.104   3.450   0.661
   93    HA   PRO  12           HA       PRO  12 -35.425   0.161   3.998
   94   1HB   PRO  12          2HB       PRO  12 -34.918   2.712   3.023
   95   2HB   PRO  12          1HB       PRO  12 -34.692   2.201   4.698
   96   1HG   PRO  12          2HG       PRO  12 -32.682   2.450   2.508
   97   2HG   PRO  12          1HG       PRO  12 -32.530   2.861   4.225
   98   1HD   PRO  12          2HD       PRO  12 -31.457   0.629   3.223
   99   2HD   PRO  12          1HD       PRO  12 -32.165   0.655   4.847
  100    H    VAL  13           H        VAL  13 -36.354  -1.138   2.404
  101    HA   VAL  13           HA       VAL  13 -36.079  -0.924  -0.336
  102    HB   VAL  13           HB       VAL  13 -38.662  -1.599   1.064
  103   1HG1  VAL  13          1HG1      VAL  13 -37.544  -2.148  -1.663
  104   2HG1  VAL  13          3HG1      VAL  13 -38.811  -3.157  -0.966
  105   3HG1  VAL  13          2HG1      VAL  13 -39.096  -1.436  -1.224
  106   1HG2  VAL  13          3HG2      VAL  13 -36.496  -2.814   1.832
  107   2HG2  VAL  13          2HG2      VAL  13 -37.928  -3.765   1.445
  108   3HG2  VAL  13          1HG2      VAL  13 -36.613  -3.635   0.276
  109    H    SER  14           H        SER  14 -36.173   0.911  -1.385
  110    HA   SER  14           HA       SER  14 -38.592   2.235  -1.896
  111   1HB   SER  14          2HB       SER  14 -37.794   4.505  -0.911
  112   2HB   SER  14          1HB       SER  14 -38.534   3.333   0.179
  113    HG   SER  14           HG       SER  14 -36.724   3.863   1.223
  114    H    LYS  15           H        LYS  15 -35.591   4.005  -1.466
  115    HA   LYS  15           HA       LYS  15 -35.475   4.794  -4.184
  116   1HB   LYS  15          2HB       LYS  15 -33.344   4.871  -2.037
  117   2HB   LYS  15          1HB       LYS  15 -33.245   5.699  -3.584
  118   1HG   LYS  15          2HG       LYS  15 -35.621   6.251  -1.896
  119   2HG   LYS  15          1HG       LYS  15 -34.072   6.910  -1.364
  120   1HD   LYS  15          2HD       LYS  15 -35.007   7.271  -4.191
  121   2HD   LYS  15          1HD       LYS  15 -35.575   8.339  -2.907
  122   1HE   LYS  15          2HE       LYS  15 -33.148   8.746  -2.340
  123   2HE   LYS  15          1HE       LYS  15 -32.743   7.904  -3.833
  124   1HZ   LYS  15          3HZ       LYS  15 -34.587  10.212  -3.812
  125   2HZ   LYS  15          2HZ       LYS  15 -32.912  10.419  -3.915
  126   3HZ   LYS  15          1HZ       LYS  15 -33.732   9.559  -5.118
  127    H    CYS  16           H        CYS  16 -34.371   3.949  -5.903
  128    HA   CYS  16           HA       CYS  16 -32.242   2.085  -5.646
  129   1HB   CYS  16          2HB       CYS  16 -35.012   1.033  -6.094
  130   2HB   CYS  16          1HB       CYS  16 -33.647   0.220  -6.848
  131    H    GLN  17           H        GLN  17 -34.982   2.505  -7.897
  132    HA   GLN  17           HA       GLN  17 -34.015   2.085 -10.298
  133   1HB   GLN  17          2HB       GLN  17 -35.581   4.473  -9.375
  134   2HB   GLN  17          1HB       GLN  17 -35.152   4.287 -11.068
  135   1HG   GLN  17          2HG       GLN  17 -36.289   1.839 -10.058
  136   2HG   GLN  17          1HG       GLN  17 -37.370   3.191  -9.736
  137   1HE2  GLN  17          2HE2      GLN  17 -36.628   1.978 -13.563
  138   2HE2  GLN  17          1HE2      GLN  17 -35.579   1.524 -12.267
  139    H    LEU  18           H        LEU  18 -33.032   4.863  -8.359
  140    HA   LEU  18           HA       LEU  18 -31.408   6.038 -10.376
  141   1HB   LEU  18          2HB       LEU  18 -31.363   6.379  -7.380
  142   2HB   LEU  18          1HB       LEU  18 -30.469   7.375  -8.512
  143    HG   LEU  18           HG       LEU  18 -33.220   7.370  -9.314
  144   1HD1  LEU  18          1HD1      LEU  18 -33.605   6.750  -6.914
  145   2HD1  LEU  18          3HD1      LEU  18 -32.882   8.297  -6.472
  146   3HD1  LEU  18          2HD1      LEU  18 -34.360   8.256  -7.434
  147   1HD2  LEU  18          1HD2      LEU  18 -31.555   9.120  -9.789
  148   2HD2  LEU  18          3HD2      LEU  18 -33.023   9.767  -9.054
  149   3HD2  LEU  18          2HD2      LEU  18 -31.563   9.569  -8.084
  150    H    ALA  19           H        ALA  19 -29.449   6.035  -7.746
  151    HA   ALA  19           HA       ALA  19 -28.070   3.601  -7.812
  152   1HB   ALA  19          1HB       ALA  19 -27.655   4.508 -10.193
  153   2HB   ALA  19          3HB       ALA  19 -26.568   5.641  -9.393
  154   3HB   ALA  19          2HB       ALA  19 -26.282   3.904  -9.270
  155    H    ASN  20           H        ASN  20 -28.233   6.911  -7.153
  156    HA   ASN  20           HA       ASN  20 -25.885   7.535  -5.953
  157   1HB   ASN  20          2HB       ASN  20 -27.652   9.154  -6.223
  158   2HB   ASN  20          1HB       ASN  20 -28.671   8.289  -5.075
  159   1HD2  ASN  20          2HD2      ASN  20 -25.429   9.560  -3.082
  160   2HD2  ASN  20          1HD2      ASN  20 -25.382   8.315  -4.278
  161    H    GLN  21           H        GLN  21 -28.170   7.520  -3.450
  162    HA   GLN  21           HA       GLN  21 -26.847   6.702  -1.370
  163   1HB   GLN  21          2HB       GLN  21 -29.606   5.879  -2.184
  164   2HB   GLN  21          1HB       GLN  21 -28.931   5.291  -0.671
  165   1HG   GLN  21          2HG       GLN  21 -29.326   8.170  -1.456
  166   2HG   GLN  21          1HG       GLN  21 -30.279   7.256  -0.288
  167   1HE2  GLN  21          2HE2      GLN  21 -26.662   8.814   0.714
  168   2HE2  GLN  21          1HE2      GLN  21 -27.208   8.777  -0.925
  169    H    CYS  22           H        CYS  22 -28.381   4.156  -3.362
  170    HA   CYS  22           HA       CYS  22 -27.254   1.987  -2.076
  171   1HB   CYS  22          2HB       CYS  22 -29.025   2.159  -4.007
  172   2HB   CYS  22          1HB       CYS  22 -27.625   1.888  -5.040
  173    H    ASN  23           H        ASN  23 -26.154   2.889  -5.331
  174    HA   ASN  23           HA       ASN  23 -23.774   1.535  -5.304
  175   1HB   ASN  23          2HB       ASN  23 -24.968   2.967  -7.168
  176   2HB   ASN  23          1HB       ASN  23 -23.858   4.221  -6.618
  177   1HD2  ASN  23          2HD2      ASN  23 -22.069   0.808  -7.979
  178   2HD2  ASN  23          1HD2      ASN  23 -23.388   0.730  -6.866
  179    H    TYR  24           H        TYR  24 -24.188   4.985  -4.486
  180    HA   TYR  24           HA       TYR  24 -21.581   5.546  -3.767
  181   1HB   TYR  24          2HB       TYR  24 -22.856   7.456  -3.796
  182   2HB   TYR  24          1HB       TYR  24 -24.237   6.675  -3.034
  183    HD1  TYR  24           HD1      TYR  24 -20.681   7.311  -2.055
  184    HD2  TYR  24           HD2      TYR  24 -24.794   7.638  -1.019
  185    HE1  TYR  24           HE1      TYR  24 -20.053   8.305   0.103
  186    HE2  TYR  24           HE2      TYR  24 -24.178   8.633   1.138
  187    HH   TYR  24           HH       TYR  24 -21.299   8.422   2.508
  188    H    ASP  25           H        ASP  25 -24.216   4.547  -1.566
  189    HA   ASP  25           HA       ASP  25 -22.765   4.385   0.767
  190   1HB   ASP  25          2HB       ASP  25 -25.076   2.689  -0.176
  191   2HB   ASP  25          1HB       ASP  25 -24.422   2.601   1.456
  192    H    CYS  26           H        CYS  26 -23.321   1.674  -1.504
  193    HA   CYS  26           HA       CYS  26 -21.746  -0.149  -0.133
  194   1HB   CYS  26          2HB       CYS  26 -22.332   0.129  -3.080
  195   2HB   CYS  26          1HB       CYS  26 -21.373  -1.203  -2.441
  196    H    LYS  27           H        LYS  27 -20.845   2.172  -2.629
  197    HA   LYS  27           HA       LYS  27 -18.134   1.508  -2.825
  198   1HB   LYS  27          2HB       LYS  27 -19.898   3.429  -3.932
  199   2HB   LYS  27          1HB       LYS  27 -18.527   4.323  -3.302
  200   1HG   LYS  27          2HG       LYS  27 -17.033   3.301  -4.744
  201   2HG   LYS  27          1HG       LYS  27 -18.092   1.919  -5.032
  202   1HD   LYS  27          2HD       LYS  27 -19.358   3.032  -6.576
  203   2HD   LYS  27          1HD       LYS  27 -19.065   4.609  -5.843
  204   1HE   LYS  27          2HE       LYS  27 -17.984   4.165  -8.104
  205   2HE   LYS  27          1HE       LYS  27 -16.941   4.792  -6.827
  206   1HZ   LYS  27          3HZ       LYS  27 -16.185   2.518  -6.410
  207   2HZ   LYS  27          2HZ       LYS  27 -17.146   1.955  -7.683
  208   3HZ   LYS  27          1HZ       LYS  27 -15.857   3.002  -7.998
  209    H    LEU  28           H        LEU  28 -19.412   2.219   0.006
  210    HA   LEU  28           HA       LEU  28 -16.935   3.201   1.062
  211   1HB   LEU  28          2HB       LEU  28 -17.787   5.299   0.258
  212   2HB   LEU  28          1HB       LEU  28 -19.327   5.030   1.052
  213    HG   LEU  28           HG       LEU  28 -16.948   5.036   2.821
  214   1HD1  LEU  28          2HD1      LEU  28 -16.397   6.861   1.287
  215   2HD1  LEU  28          1HD1      LEU  28 -17.975   7.590   1.591
  216   3HD1  LEU  28          3HD1      LEU  28 -16.798   7.457   2.898
  217   1HD2  LEU  28          2HD2      LEU  28 -19.721   6.210   2.965
  218   2HD2  LEU  28          1HD2      LEU  28 -19.121   4.775   3.797
  219   3HD2  LEU  28          3HD2      LEU  28 -18.507   6.369   4.233
  220    H    ASP  29           H        ASP  29 -20.411   2.867   1.775
  221    HA   ASP  29           HA       ASP  29 -20.061   2.502   4.563
  222   1HB   ASP  29          2HB       ASP  29 -22.319   1.744   2.701
  223   2HB   ASP  29          1HB       ASP  29 -22.393   1.531   4.448
  224    H    LYS  30           H        LYS  30 -19.317   0.574   1.943
  225    HA   LYS  30           HA       LYS  30 -18.869  -1.735   3.675
  226   1HB   LYS  30          2HB       LYS  30 -20.318  -1.828   1.025
  227   2HB   LYS  30          1HB       LYS  30 -19.665  -3.248   1.828
  228   1HG   LYS  30          2HG       LYS  30 -21.629  -1.434   3.185
  229   2HG   LYS  30          1HG       LYS  30 -22.143  -2.751   2.128
  230   1HD   LYS  30          2HD       LYS  30 -20.793  -4.307   3.548
  231   2HD   LYS  30          1HD       LYS  30 -20.517  -2.965   4.659
  232   1HE   LYS  30          2HE       LYS  30 -23.305  -3.688   3.861
  233   2HE   LYS  30          1HE       LYS  30 -22.469  -4.641   5.086
  234   1HZ   LYS  30          2HZ       LYS  30 -22.297  -1.790   5.488
  235   2HZ   LYS  30          1HZ       LYS  30 -23.874  -2.398   5.573
  236   3HZ   LYS  30          3HZ       LYS  30 -22.672  -3.018   6.589
  237    H    HIS  31           H        HIS  31 -17.608   0.509   1.789
  238    HA   HIS  31           HA       HIS  31 -15.839   0.709   0.349
  239   1HB   HIS  31          2HB       HIS  31 -13.888  -0.897   1.304
  240   2HB   HIS  31          1HB       HIS  31 -14.378   0.596   2.091
  241    HD1  HIS  31           HD1      HIS  31 -14.547  -3.115   2.447
  242    HD2  HIS  31           HD2      HIS  31 -15.743   0.284   4.517
  243    HE1  HIS  31           HE1      HIS  31 -15.231  -3.922   4.728
  244    HE2  HIS  31           HE2      HIS  31 -16.016  -1.858   5.940
  245    H    ALA  32           H        ALA  32 -17.687  -0.877  -0.845
  246    HA   ALA  32           HA       ALA  32 -16.388  -3.299  -1.796
  247   1HB   ALA  32          2HB       ALA  32 -18.826  -3.229  -1.310
  248   2HB   ALA  32          1HB       ALA  32 -19.021  -2.112  -2.660
  249   3HB   ALA  32          3HB       ALA  32 -18.445  -3.753  -2.950
  250    H    ARG  33           H        ARG  33 -17.013  -3.516  -4.383
  251    HA   ARG  33           HA       ARG  33 -15.328  -1.485  -5.628
  252   1HB   ARG  33          2HB       ARG  33 -15.474  -4.233  -5.891
  253   2HB   ARG  33          1HB       ARG  33 -16.307  -3.674  -7.331
  254   1HG   ARG  33          2HG       ARG  33 -14.191  -3.732  -8.146
  255   2HG   ARG  33          1HG       ARG  33 -14.170  -2.098  -7.483
  256   1HD   ARG  33          2HD       ARG  33 -13.330  -3.253  -5.322
  257   2HD   ARG  33          1HD       ARG  33 -12.948  -4.603  -6.388
  258    HE   ARG  33           HE       ARG  33 -11.866  -2.287  -7.507
  259   1HH1  ARG  33          1HH2      ARG  33 -11.462  -4.298  -4.695
  260   2HH1  ARG  33          2HH2      ARG  33  -9.777  -3.937  -4.517
  261   1HH2  ARG  33          2HH1      ARG  33  -9.645  -1.804  -7.282
  262   2HH2  ARG  33          1HH1      ARG  33  -8.745  -2.519  -5.987
  263    H    SER  34           H        SER  34 -18.582  -2.528  -5.409
  264    HA   SER  34           HA       SER  34 -19.655  -0.246  -6.616
  265   1HB   SER  34          2HB       SER  34 -20.046  -0.779  -8.792
  266   2HB   SER  34          1HB       SER  34 -18.743  -1.947  -8.566
  267    HG   SER  34           HG       SER  34 -20.839  -2.730  -9.436
  268    H    GLY  35           H        GLY  35 -22.115  -1.134  -7.481
  269   1HA   GLY  35          2HA       GLY  35 -23.362  -3.195  -6.165
  270   2HA   GLY  35          1HA       GLY  35 -23.309  -1.891  -4.989
  271    H    GLU  36           H        GLU  36 -25.709  -2.813  -5.681
  272    HA   GLU  36           HA       GLU  36 -27.093  -0.543  -6.530
  273   1HB   GLU  36          2HB       GLU  36 -26.059  -2.053  -8.700
  274   2HB   GLU  36          1HB       GLU  36 -27.794  -2.342  -8.677
  275   1HG   GLU  36          2HG       GLU  36 -26.631   0.424  -8.557
  276   2HG   GLU  36          1HG       GLU  36 -26.940  -0.407 -10.082
  277    H    CYS  37           H        CYS  37 -29.470  -1.303  -7.266
  278    HA   CYS  37           HA       CYS  37 -30.316  -3.100  -5.143
  279   1HB   CYS  37          2HB       CYS  37 -31.759  -1.201  -6.971
  280   2HB   CYS  37          1HB       CYS  37 -32.638  -2.391  -6.018
  281    H    PHE  38           H        PHE  38 -29.654  -5.106  -5.937
  282    HA   PHE  38           HA       PHE  38 -30.702  -5.994  -8.508
  283   1HB   PHE  38          2HB       PHE  38 -28.745  -7.137  -6.542
  284   2HB   PHE  38          1HB       PHE  38 -29.460  -8.162  -7.778
  285    HD1  PHE  38           HD2      PHE  38 -27.369  -5.176  -7.209
  286    HD2  PHE  38           HD1      PHE  38 -28.728  -8.075 -10.013
  287    HE1  PHE  38           HE2      PHE  38 -25.672  -4.410  -8.818
  288    HE2  PHE  38           HE1      PHE  38 -27.034  -7.316 -11.626
  289    HZ   PHE  38           HZ       PHE  38 -25.505  -5.481 -11.031
  290    H    TYR  39           H        TYR  39 -31.852  -8.054  -8.678
  291    HA   TYR  39           HA       TYR  39 -33.911  -8.248  -6.657
  292   1HB   TYR  39          2HB       TYR  39 -33.536  -9.705  -9.276
  293   2HB   TYR  39          1HB       TYR  39 -34.940  -9.877  -8.228
  294    HD1  TYR  39           HD1      TYR  39 -32.974  -7.119  -9.821
  295    HD2  TYR  39           HD2      TYR  39 -36.802  -8.666  -8.803
  296    HE1  TYR  39           HE1      TYR  39 -34.037  -5.198 -10.931
  297    HE2  TYR  39           HE2      TYR  39 -37.878  -6.751  -9.912
  298    HH   TYR  39           HH       TYR  39 -37.093  -5.082 -11.886
  299    H    ASP  40           H        ASP  40 -34.651 -10.450  -5.948
  300    HA   ASP  40           HA       ASP  40 -32.370 -12.257  -5.470
  301   1HB   ASP  40          2HB       ASP  40 -33.451 -12.656  -3.182
  302   2HB   ASP  40          1HB       ASP  40 -32.586 -11.138  -3.407
  303    H    GLU  41           H        GLU  41 -33.513 -14.264  -4.149
  304    HA   GLU  41           HA       GLU  41 -34.850 -15.692  -6.151
  305   1HB   GLU  41          2HB       GLU  41 -34.807 -17.496  -4.709
  306   2HB   GLU  41          1HB       GLU  41 -33.505 -16.505  -4.064
  307   1HG   GLU  41          2HG       GLU  41 -35.312 -15.542  -2.502
  308   2HG   GLU  41          1HG       GLU  41 -36.244 -16.966  -2.961
  309    H    LYS  42           H        LYS  42 -36.076 -13.187  -4.493
  310    HA   LYS  42           HA       LYS  42 -38.747 -14.320  -4.117
  311   1HB   LYS  42          2HB       LYS  42 -37.276 -12.337  -2.761
  312   2HB   LYS  42          1HB       LYS  42 -38.580 -11.477  -3.565
  313   1HG   LYS  42          2HG       LYS  42 -38.964 -13.873  -1.782
  314   2HG   LYS  42          1HG       LYS  42 -39.116 -12.194  -1.260
  315   1HD   LYS  42          2HD       LYS  42 -40.742 -13.442  -3.477
  316   2HD   LYS  42          1HD       LYS  42 -41.289 -13.291  -1.807
  317   1HE   LYS  42          2HE       LYS  42 -40.556 -10.742  -2.291
  318   2HE   LYS  42          1HE       LYS  42 -41.033 -11.235  -3.915
  319   1HZ   LYS  42          2HZ       LYS  42 -43.101 -12.151  -2.620
  320   2HZ   LYS  42          1HZ       LYS  42 -42.662 -10.966  -1.497
  321   3HZ   LYS  42          3HZ       LYS  42 -43.019 -10.530  -3.092
  322    H    ARG  43           H        ARG  43 -37.423 -11.352  -5.517
  323    HA   ARG  43           HA       ARG  43 -37.805 -11.143  -8.013
  324   1HB   ARG  43          2HB       ARG  43 -40.550 -11.729  -7.062
  325   2HB   ARG  43          1HB       ARG  43 -40.431 -10.370  -8.142
  326   1HG   ARG  43          2HG       ARG  43 -40.912 -12.370  -9.392
  327   2HG   ARG  43          1HG       ARG  43 -39.324 -11.738  -9.819
  328   1HD   ARG  43          2HD       ARG  43 -38.435 -13.427  -8.082
  329   2HD   ARG  43          1HD       ARG  43 -40.023 -14.181  -8.231
  330    HE   ARG  43           HE       ARG  43 -39.531 -14.494 -10.601
  331   1HH1  ARG  43          1HH2      ARG  43 -36.832 -13.828  -8.481
  332   2HH1  ARG  43          2HH2      ARG  43 -35.682 -14.618  -9.504
  333   1HH2  ARG  43          2HH1      ARG  43 -38.013 -15.539 -11.932
  334   2HH2  ARG  43          1HH1      ARG  43 -36.348 -15.586 -11.458
  335    H    ASN  44           H        ASN  44 -37.758  -9.772  -5.128
  336    HA   ASN  44           HA       ASN  44 -38.710  -7.126  -5.881
  337   1HB   ASN  44          2HB       ASN  44 -37.267  -7.726  -3.320
  338   2HB   ASN  44          1HB       ASN  44 -38.522  -6.531  -3.632
  339   1HD2  ASN  44          2HD2      ASN  44 -40.028  -9.211  -1.646
  340   2HD2  ASN  44          1HD2      ASN  44 -38.770  -8.044  -1.453
  341    H    LEU  45           H        LEU  45 -36.550  -6.071  -3.975
  342    HA   LEU  45           HA       LEU  45 -34.173  -6.259  -5.642
  343   1HB   LEU  45          2HB       LEU  45 -34.856  -3.467  -4.992
  344   2HB   LEU  45          1HB       LEU  45 -34.154  -4.146  -6.450
  345    HG   LEU  45           HG       LEU  45 -37.079  -4.451  -5.823
  346   1HD1  LEU  45          1HD1      LEU  45 -35.627  -2.099  -6.943
  347   2HD1  LEU  45          3HD1      LEU  45 -37.244  -2.493  -7.525
  348   3HD1  LEU  45          2HD1      LEU  45 -36.981  -2.156  -5.814
  349   1HD2  LEU  45          3HD2      LEU  45 -35.396  -5.443  -7.865
  350   2HD2  LEU  45          2HD2      LEU  45 -37.151  -5.544  -7.751
  351   3HD2  LEU  45          1HD2      LEU  45 -36.404  -4.195  -8.602
  352    H    GLN  46           H        GLN  46 -32.263  -5.607  -4.616
  353    HA   GLN  46           HA       GLN  46 -32.398  -4.649  -1.874
  354   1HB   GLN  46          2HB       GLN  46 -31.324  -7.360  -2.641
  355   2HB   GLN  46          1HB       GLN  46 -30.803  -6.536  -1.178
  356   1HG   GLN  46          2HG       GLN  46 -32.498  -7.957  -0.467
  357   2HG   GLN  46          1HG       GLN  46 -33.278  -6.381  -0.590
  358   1HE2  GLN  46          2HE2      GLN  46 -34.061  -8.985  -3.648
  359   2HE2  GLN  46          1HE2      GLN  46 -32.448  -8.769  -3.067
  360    H    CYS  47           H        CYS  47 -30.660  -3.444  -1.319
  361    HA   CYS  47           HA       CYS  47 -28.882  -2.584  -3.338
  362   1HB   CYS  47          2HB       CYS  47 -29.365  -1.978  -0.491
  363   2HB   CYS  47          1HB       CYS  47 -27.715  -1.688  -1.032
  364    H    ILE  48           H        ILE  48 -27.811  -4.447  -4.100
  365    HA   ILE  48           HA       ILE  48 -26.149  -5.945  -2.268
  366    HB   ILE  48           HB       ILE  48 -26.404  -6.214  -5.263
  367   1HG1  ILE  48          2HG1      ILE  48 -27.803  -7.565  -2.960
  368   2HG1  ILE  48          1HG1      ILE  48 -28.522  -6.729  -4.328
  369   1HG2  ILE  48          3HG2      ILE  48 -24.383  -7.223  -3.678
  370   2HG2  ILE  48          2HG2      ILE  48 -25.530  -8.555  -3.723
  371   3HG2  ILE  48          1HG2      ILE  48 -24.895  -7.889  -5.226
  372   1HD1  ILE  48          3HD1      ILE  48 -27.256  -8.659  -5.651
  373   2HD1  ILE  48          2HD1      ILE  48 -27.497  -9.486  -4.113
  374   3HD1  ILE  48          1HD1      ILE  48 -28.884  -8.853  -4.999
  375    H    CYS  49           H        CYS  49 -24.127  -5.513  -1.793
  376    HA   CYS  49           HA       CYS  49 -22.681  -3.508  -3.359
  377   1HB   CYS  49          2HB       CYS  49 -21.944  -4.823  -0.730
  378   2HB   CYS  49          1HB       CYS  49 -21.095  -3.480  -1.486
  379    H    ASP  50           H        ASP  50 -21.577  -4.295  -5.034
  380    HA   ASP  50           HA       ASP  50 -20.568  -7.022  -4.972
  381   1HB   ASP  50          2HB       ASP  50 -20.500  -5.010  -7.225
  382   2HB   ASP  50          1HB       ASP  50 -20.160  -6.733  -7.347
  383    H    TYR  51           H        TYR  51 -18.559  -7.602  -4.727
  384    HA   TYR  51           HA       TYR  51 -16.500  -5.544  -4.413
  385   1HB   TYR  51          2HB       TYR  51 -16.776  -8.376  -3.476
  386   2HB   TYR  51          1HB       TYR  51 -15.216  -7.568  -3.453
  387    HD1  TYR  51           HD2      TYR  51 -18.732  -6.785  -2.423
  388    HD2  TYR  51           HD1      TYR  51 -14.599  -6.701  -1.417
  389    HE1  TYR  51           HE2      TYR  51 -19.289  -5.798  -0.241
  390    HE2  TYR  51           HE1      TYR  51 -15.145  -5.716   0.769
  391    HH   TYR  51           HH       TYR  51 -17.161  -5.671   2.316
  392    H    CYS  52           H        CYS  52 -17.191  -8.600  -6.043
  393    HA   CYS  52           HA       CYS  52 -14.831  -8.230  -7.764
  394   1HB   CYS  52          2HB       CYS  52 -16.351 -10.778  -7.870
  395   2HB   CYS  52          1HB       CYS  52 -14.613 -10.497  -7.884
  396    H    GLU  53           H        GLU  53 -16.808  -6.540  -8.445
  397    HA   GLU  53           HA       GLU  53 -18.645  -7.660 -10.328
  398   1HB   GLU  53          2HB       GLU  53 -18.888  -5.460  -9.031
  399   2HB   GLU  53          1HB       GLU  53 -17.799  -4.771 -10.226
  400   1HG   GLU  53          2HG       GLU  53 -19.781  -4.247 -11.199
  401   2HG   GLU  53          1HG       GLU  53 -19.545  -5.847 -11.898
  402    H    TYR  54           HN       TYR  54 -17.523  -8.813 -11.868
  403    HA   TYR  54           HA       TYR  54 -16.244  -7.214 -13.922
  404   1HB   TYR  54          2HB       TYR  54 -14.804  -9.441 -12.477
  405   2HB   TYR  54          1HB       TYR  54 -14.283  -8.788 -14.027
  406    HD1  TYR  54           HD1      TYR  54 -14.045  -6.143 -14.055
  407    HD2  TYR  54           HD2      TYR  54 -13.855  -8.564 -10.563
  408    HE1  TYR  54           HE1      TYR  54 -12.816  -4.363 -12.897
  409    HE2  TYR  54           HE2      TYR  54 -12.620  -6.788  -9.393
  410    HH   TYR  54           HH       TYR  54 -12.383  -3.627 -10.578
   
  No H/Q in entry =         410
  Start of MODEL   30
    1    HN   PCA   1           HN       PCA   1 -10.598 -15.459  -5.710
    2    HA   PCA   1           HA       PCA   1 -10.762 -17.995  -5.370
    3   1HB   PCA   1          1HB       PCA   1  -8.889 -19.017  -4.614
    4   2HB   PCA   1          2HB       PCA   1  -8.903 -18.037  -3.130
    5   1HG   PCA   1          1HG       PCA   1  -7.316 -17.670  -5.552
    6   2HG   PCA   1          2HG       PCA   1  -7.214 -16.784  -4.019
    7    H    ASP   2           H        ASP   2 -11.874 -15.423  -4.358
    8    HA   ASP   2           HA       ASP   2 -13.292 -16.522  -2.095
    9   1HB   ASP   2          2HB       ASP   2 -12.814 -14.330  -0.781
   10   2HB   ASP   2          1HB       ASP   2 -11.610 -15.617  -0.756
   11    H    LYS   3           H        LYS   3 -15.221 -15.379  -1.598
   12    HA   LYS   3           HA       LYS   3 -16.450 -14.145  -3.834
   13   1HB   LYS   3          2HB       LYS   3 -17.346 -14.356  -0.956
   14   2HB   LYS   3          1HB       LYS   3 -18.358 -13.771  -2.271
   15   1HG   LYS   3          2HG       LYS   3 -18.180 -15.936  -3.382
   16   2HG   LYS   3          1HG       LYS   3 -17.149 -16.523  -2.075
   17   1HD   LYS   3          2HD       LYS   3 -18.960 -16.237  -0.484
   18   2HD   LYS   3          1HD       LYS   3 -19.991 -15.560  -1.748
   19   1HE   LYS   3          2HE       LYS   3 -20.399 -17.983  -1.189
   20   2HE   LYS   3          1HE       LYS   3 -20.103 -17.631  -2.891
   21   1HZ   LYS   3          1HZ       LYS   3 -17.800 -18.333  -2.584
   22   2HZ   LYS   3          3HZ       LYS   3 -18.115 -18.704  -0.964
   23   3HZ   LYS   3          2HZ       LYS   3 -18.878 -19.577  -2.194
   24    H    CYS   4           H        CYS   4 -17.578 -12.017  -3.726
   25    HA   CYS   4           HA       CYS   4 -16.354 -10.019  -2.030
   26   1HB   CYS   4          2HB       CYS   4 -15.716 -10.320  -4.919
   27   2HB   CYS   4          1HB       CYS   4 -15.940  -8.687  -4.314
   28    H    LYS   5           H        LYS   5 -18.974 -10.817  -2.019
   29    HA   LYS   5           HA       LYS   5 -20.295  -8.363  -2.857
   30   1HB   LYS   5          2HB       LYS   5 -22.271 -10.034  -3.602
   31   2HB   LYS   5          1HB       LYS   5 -21.090  -9.387  -4.721
   32   1HG   LYS   5          2HG       LYS   5 -21.020 -11.583  -5.304
   33   2HG   LYS   5          1HG       LYS   5 -19.767 -11.585  -4.069
   34   1HD   LYS   5          2HD       LYS   5 -21.218 -13.468  -3.712
   35   2HD   LYS   5          1HD       LYS   5 -21.471 -12.303  -2.411
   36   1HE   LYS   5          2HE       LYS   5 -23.493 -13.442  -3.739
   37   2HE   LYS   5          1HE       LYS   5 -23.588 -11.810  -3.082
   38   1HZ   LYS   5          3HZ       LYS   5 -22.732 -12.397  -5.860
   39   2HZ   LYS   5          2HZ       LYS   5 -24.332 -12.052  -5.435
   40   3HZ   LYS   5          1HZ       LYS   5 -23.125 -10.890  -5.198
   41    H    LYS   6           H        LYS   6 -21.902  -7.712  -1.501
   42    HA   LYS   6           HA       LYS   6 -22.917  -9.593   0.497
   43   1HB   LYS   6          2HB       LYS   6 -21.978  -6.910   1.450
   44   2HB   LYS   6          1HB       LYS   6 -22.269  -8.374   2.375
   45   1HG   LYS   6          2HG       LYS   6 -20.026  -8.229   0.395
   46   2HG   LYS   6          1HG       LYS   6 -19.855  -7.585   2.025
   47   1HD   LYS   6          2HD       LYS   6 -20.186  -9.696   3.010
   48   2HD   LYS   6          1HD       LYS   6 -20.809 -10.388   1.511
   49   1HE   LYS   6          2HE       LYS   6 -18.713 -10.587   0.577
   50   2HE   LYS   6          1HE       LYS   6 -18.033  -9.300   1.573
   51   1HZ   LYS   6          3HZ       LYS   6 -18.503 -10.961   3.485
   52   2HZ   LYS   6          2HZ       LYS   6 -18.507 -12.120   2.254
   53   3HZ   LYS   6          1HZ       LYS   6 -17.131 -11.171   2.517
   54    H    VAL   7           H        VAL   7 -25.057  -9.458   0.368
   55    HA   VAL   7           HA       VAL   7 -26.429  -7.253  -0.756
   56    HB   VAL   7           HB       VAL   7 -28.439  -8.360  -0.334
   57   1HG1  VAL   7          3HG1      VAL   7 -26.281 -10.433  -0.609
   58   2HG1  VAL   7          2HG1      VAL   7 -28.001 -10.753  -0.838
   59   3HG1  VAL   7          1HG1      VAL   7 -27.166  -9.616  -1.898
   60   1HG2  VAL   7          1HG2      VAL   7 -27.017  -9.612   1.987
   61   2HG2  VAL   7          3HG2      VAL   7 -28.510  -8.673   1.968
   62   3HG2  VAL   7          2HG2      VAL   7 -28.495 -10.319   1.333
   63    H    TYR   8           H        TYR   8 -27.124  -5.420   0.129
   64    HA   TYR   8           HA       TYR   8 -26.688  -4.997   2.967
   65   1HB   TYR   8          2HB       TYR   8 -26.274  -3.328   0.939
   66   2HB   TYR   8          1HB       TYR   8 -27.960  -2.927   1.232
   67    HD1  TYR   8           HD1      TYR   8 -28.209  -3.037   4.122
   68    HD2  TYR   8           HD2      TYR   8 -25.000  -1.575   1.739
   69    HE1  TYR   8           HE1      TYR   8 -27.521  -1.560   5.963
   70    HE2  TYR   8           HE2      TYR   8 -24.303  -0.096   3.575
   71    HH   TYR   8           HH       TYR   8 -24.642   0.498   5.692
   72    H    GLU   9           H        GLU   9 -28.294  -6.528   3.656
   73    HA   GLU   9           HA       GLU   9 -30.972  -6.441   2.956
   74   1HB   GLU   9          2HB       GLU   9 -31.156  -7.310   5.509
   75   2HB   GLU   9          1HB       GLU   9 -30.640  -8.328   4.174
   76   1HG   GLU   9          2HG       GLU   9 -28.322  -7.931   4.714
   77   2HG   GLU   9          1HG       GLU   9 -28.786  -6.807   5.991
   78    H    ASN  10           H        ASN  10 -29.714  -5.305   6.022
   79    HA   ASN  10           HA       ASN  10 -31.869  -3.752   6.789
   80   1HB   ASN  10          2HB       ASN  10 -30.015  -4.299   8.307
   81   2HB   ASN  10          1HB       ASN  10 -28.942  -3.252   7.382
   82   1HD2  ASN  10          2HD2      ASN  10 -30.003  -1.318  10.281
   83   2HD2  ASN  10          1HD2      ASN  10 -29.061  -2.728   9.951
   84    H    TYR  11           H        TYR  11 -32.643  -2.712   4.938
   85    HA   TYR  11           HA       TYR  11 -31.825  -0.044   4.576
   86   1HB   TYR  11          2HB       TYR  11 -30.016  -1.461   3.332
   87   2HB   TYR  11          1HB       TYR  11 -31.265  -1.656   2.110
   88    HD1  TYR  11           HD1      TYR  11 -32.492   0.754   1.598
   89    HD2  TYR  11           HD2      TYR  11 -28.475   0.177   2.879
   90    HE1  TYR  11           HE1      TYR  11 -31.871   2.920   0.615
   91    HE2  TYR  11           HE2      TYR  11 -27.845   2.341   1.900
   92    HH   TYR  11           HH       TYR  11 -29.143   3.834  -0.246
   93    HA   PRO  12           HA       PRO  12 -36.272  -0.810   3.604
   94   1HB   PRO  12          2HB       PRO  12 -35.968   2.163   3.416
   95   2HB   PRO  12          1HB       PRO  12 -37.264   1.210   4.149
   96   1HG   PRO  12          2HG       PRO  12 -35.411   2.354   5.669
   97   2HG   PRO  12          1HG       PRO  12 -36.013   0.730   6.046
   98   1HD   PRO  12          2HD       PRO  12 -33.414   1.563   4.870
   99   2HD   PRO  12          1HD       PRO  12 -33.790   0.178   5.914
  100    H    VAL  13           H        VAL  13 -35.275  -1.738   1.583
  101    HA   VAL  13           HA       VAL  13 -34.416  -1.110  -0.681
  102    HB   VAL  13           HB       VAL  13 -37.347  -1.808  -0.743
  103   1HG1  VAL  13          1HG1      VAL  13 -35.041  -2.345  -2.605
  104   2HG1  VAL  13          3HG1      VAL  13 -36.614  -3.132  -2.738
  105   3HG1  VAL  13          2HG1      VAL  13 -36.483  -1.383  -2.924
  106   1HG2  VAL  13          2HG2      VAL  13 -36.143  -3.199   0.902
  107   2HG2  VAL  13          1HG2      VAL  13 -36.713  -4.127  -0.484
  108   3HG2  VAL  13          3HG2      VAL  13 -35.011  -3.678  -0.363
  109    H    SER  14           H        SER  14 -37.700   0.147  -0.141
  110    HA   SER  14           HA       SER  14 -38.807   1.765  -1.396
  111   1HB   SER  14          2HB       SER  14 -38.246   3.919  -0.487
  112   2HB   SER  14          1HB       SER  14 -37.974   2.721   0.777
  113    HG   SER  14           HG       SER  14 -36.278   4.426   0.250
  114    H    LYS  15           H        LYS  15 -35.819   3.532  -1.530
  115    HA   LYS  15           HA       LYS  15 -36.134   4.098  -4.291
  116   1HB   LYS  15          2HB       LYS  15 -34.084   4.720  -2.217
  117   2HB   LYS  15          1HB       LYS  15 -33.654   4.949  -3.906
  118   1HG   LYS  15          2HG       LYS  15 -34.502   6.996  -2.829
  119   2HG   LYS  15          1HG       LYS  15 -35.467   6.491  -4.217
  120   1HD   LYS  15          2HD       LYS  15 -37.175   5.610  -2.806
  121   2HD   LYS  15          1HD       LYS  15 -36.169   5.805  -1.370
  122   1HE   LYS  15          2HE       LYS  15 -36.819   8.195  -3.028
  123   2HE   LYS  15          1HE       LYS  15 -38.049   7.544  -1.945
  124   1HZ   LYS  15          3HZ       LYS  15 -36.477   7.769  -0.110
  125   2HZ   LYS  15          2HZ       LYS  15 -35.326   8.432  -1.157
  126   3HZ   LYS  15          1HZ       LYS  15 -36.770   9.259  -0.856
  127    H    CYS  16           H        CYS  16 -34.638   3.639  -6.001
  128    HA   CYS  16           HA       CYS  16 -32.619   1.680  -5.826
  129   1HB   CYS  16          2HB       CYS  16 -35.373   0.735  -6.429
  130   2HB   CYS  16          1HB       CYS  16 -34.072   0.068  -7.410
  131    H    GLN  17           H        GLN  17 -35.040   3.295  -7.796
  132    HA   GLN  17           HA       GLN  17 -33.487   3.072 -10.214
  133   1HB   GLN  17          2HB       GLN  17 -36.172   3.727  -9.534
  134   2HB   GLN  17          1HB       GLN  17 -35.522   5.105 -10.401
  135   1HG   GLN  17          2HG       GLN  17 -36.451   3.790 -12.062
  136   2HG   GLN  17          1HG       GLN  17 -34.733   3.401 -12.138
  137   1HE2  GLN  17          1HE2      GLN  17 -37.003   1.836 -13.038
  138   2HE2  GLN  17          2HE2      GLN  17 -36.932   0.335 -12.185
  139    H    LEU  18           H        LEU  18 -31.793   4.047  -8.460
  140    HA   LEU  18           HA       LEU  18 -31.104   6.643  -9.486
  141   1HB   LEU  18          2HB       LEU  18 -32.231   6.295  -6.753
  142   2HB   LEU  18          1HB       LEU  18 -30.844   7.353  -6.897
  143    HG   LEU  18           HG       LEU  18 -33.479   7.691  -8.326
  144   1HD1  LEU  18          1HD1      LEU  18 -33.580   8.160  -5.932
  145   2HD1  LEU  18          3HD1      LEU  18 -32.220   9.272  -6.094
  146   3HD1  LEU  18          2HD1      LEU  18 -33.751   9.629  -6.893
  147   1HD2  LEU  18          1HD2      LEU  18 -30.838   9.031  -8.595
  148   2HD2  LEU  18          3HD2      LEU  18 -32.060   8.687  -9.818
  149   3HD2  LEU  18          2HD2      LEU  18 -32.289  10.027  -8.697
  150    H    ALA  19           H        ALA  19 -29.167   5.758 -10.131
  151    HA   ALA  19           HA       ALA  19 -27.526   4.002  -8.739
  152   1HB   ALA  19          3HB       ALA  19 -27.012   6.060 -10.847
  153   2HB   ALA  19          2HB       ALA  19 -25.667   5.186 -10.114
  154   3HB   ALA  19          1HB       ALA  19 -26.939   4.301 -10.956
  155    H    ASN  20           H        ASN  20 -27.752   4.782  -6.530
  156    HA   ASN  20           HA       ASN  20 -25.477   6.333  -5.750
  157   1HB   ASN  20          2HB       ASN  20 -28.077   7.627  -5.973
  158   2HB   ASN  20          1HB       ASN  20 -27.457   7.723  -4.329
  159   1HD2  ASN  20          2HD2      ASN  20 -24.544   9.596  -5.330
  160   2HD2  ASN  20          1HD2      ASN  20 -24.974   8.235  -4.356
  161    H    GLN  21           H        GLN  21 -28.585   5.952  -4.101
  162    HA   GLN  21           HA       GLN  21 -28.056   5.311  -1.644
  163   1HB   GLN  21          2HB       GLN  21 -29.920   3.955  -3.535
  164   2HB   GLN  21          1HB       GLN  21 -29.724   3.254  -1.935
  165   1HG   GLN  21          2HG       GLN  21 -31.597   4.704  -1.862
  166   2HG   GLN  21          1HG       GLN  21 -30.288   5.482  -0.969
  167   1HE2  GLN  21          2HE2      GLN  21 -29.933   8.175  -3.179
  168   2HE2  GLN  21          1HE2      GLN  21 -29.187   7.229  -1.941
  169    H    CYS  22           H        CYS  22 -28.421   2.315  -3.452
  170    HA   CYS  22           HA       CYS  22 -26.728   0.825  -1.815
  171   1HB   CYS  22          2HB       CYS  22 -27.057   0.070  -4.688
  172   2HB   CYS  22          1HB       CYS  22 -27.117  -0.947  -3.256
  173    H    ASN  23           H        ASN  23 -26.081   2.152  -5.051
  174    HA   ASN  23           HA       ASN  23 -23.478   1.284  -5.350
  175   1HB   ASN  23          2HB       ASN  23 -25.192   2.770  -6.860
  176   2HB   ASN  23          1HB       ASN  23 -24.022   4.002  -6.392
  177   1HD2  ASN  23          2HD2      ASN  23 -21.419   1.647  -7.832
  178   2HD2  ASN  23          1HD2      ASN  23 -21.879   1.980  -6.201
  179    H    TYR  24           H        TYR  24 -24.169   4.698  -4.667
  180    HA   TYR  24           HA       TYR  24 -21.675   5.428  -3.813
  181   1HB   TYR  24          2HB       TYR  24 -22.990   7.273  -4.071
  182   2HB   TYR  24          1HB       TYR  24 -24.411   6.491  -3.396
  183    HD1  TYR  24           HD2      TYR  24 -21.016   7.444  -2.141
  184    HD2  TYR  24           HD1      TYR  24 -25.223   7.515  -1.511
  185    HE1  TYR  24           HE2      TYR  24 -20.673   8.660  -0.032
  186    HE2  TYR  24           HE1      TYR  24 -24.891   8.731   0.600
  187    HH   TYR  24           HH       TYR  24 -21.678   9.307   1.907
  188    H    ASP  25           H        ASP  25 -24.363   4.530  -1.609
  189    HA   ASP  25           HA       ASP  25 -22.946   4.670   0.757
  190   1HB   ASP  25          2HB       ASP  25 -25.091   2.637   0.116
  191   2HB   ASP  25          1HB       ASP  25 -24.606   3.173   1.721
  192    H    CYS  26           H        CYS  26 -23.440   1.700  -1.185
  193    HA   CYS  26           HA       CYS  26 -21.885   0.005   0.335
  194   1HB   CYS  26          2HB       CYS  26 -22.244   0.107  -2.664
  195   2HB   CYS  26          1HB       CYS  26 -21.427  -1.212  -1.835
  196    H    LYS  27           H        LYS  27 -20.822   1.994  -2.418
  197    HA   LYS  27           HA       LYS  27 -18.102   1.352  -2.216
  198   1HB   LYS  27          2HB       LYS  27 -19.706   2.921  -3.900
  199   2HB   LYS  27          1HB       LYS  27 -18.499   4.029  -3.265
  200   1HG   LYS  27          2HG       LYS  27 -16.716   2.685  -4.102
  201   2HG   LYS  27          1HG       LYS  27 -17.827   1.383  -4.530
  202   1HD   LYS  27          2HD       LYS  27 -18.705   2.554  -6.335
  203   2HD   LYS  27          1HD       LYS  27 -18.165   4.114  -5.711
  204   1HE   LYS  27          2HE       LYS  27 -16.012   3.818  -6.454
  205   2HE   LYS  27          1HE       LYS  27 -16.122   2.060  -6.405
  206   1HZ   LYS  27          3HZ       LYS  27 -17.689   2.247  -8.326
  207   2HZ   LYS  27          2HZ       LYS  27 -17.278   3.884  -8.436
  208   3HZ   LYS  27          1HZ       LYS  27 -16.095   2.697  -8.667
  209    H    LEU  28           H        LEU  28 -19.530   2.423   0.351
  210    HA   LEU  28           HA       LEU  28 -17.193   3.778   1.319
  211   1HB   LEU  28          2HB       LEU  28 -18.489   5.553   0.082
  212   2HB   LEU  28          1HB       LEU  28 -19.735   5.387   1.304
  213    HG   LEU  28           HG       LEU  28 -16.939   5.956   2.194
  214   1HD1  LEU  28          2HD1      LEU  28 -17.375   7.532   0.338
  215   2HD1  LEU  28          1HD1      LEU  28 -18.815   8.090   1.191
  216   3HD1  LEU  28          3HD1      LEU  28 -17.220   8.326   1.904
  217   1HD2  LEU  28          3HD2      LEU  28 -19.699   6.656   3.186
  218   2HD2  LEU  28          2HD2      LEU  28 -18.529   5.559   3.920
  219   3HD2  LEU  28          1HD2      LEU  28 -18.213   7.293   3.889
  220    H    ASP  29           H        ASP  29 -20.603   2.983   1.968
  221    HA   ASP  29           HA       ASP  29 -20.385   3.217   4.785
  222   1HB   ASP  29          2HB       ASP  29 -22.376   2.057   2.900
  223   2HB   ASP  29          1HB       ASP  29 -22.447   1.522   4.575
  224    H    LYS  30           H        LYS  30 -19.969   0.513   2.552
  225    HA   LYS  30           HA       LYS  30 -19.000  -1.138   4.802
  226   1HB   LYS  30          2HB       LYS  30 -19.757  -2.284   2.139
  227   2HB   LYS  30          1HB       LYS  30 -19.740  -3.059   3.716
  228   1HG   LYS  30          2HG       LYS  30 -21.684  -1.659   4.362
  229   2HG   LYS  30          1HG       LYS  30 -21.737  -1.047   2.710
  230   1HD   LYS  30          2HD       LYS  30 -23.253  -2.764   2.567
  231   2HD   LYS  30          1HD       LYS  30 -21.773  -3.599   2.096
  232   1HE   LYS  30          2HE       LYS  30 -23.274  -4.772   3.775
  233   2HE   LYS  30          1HE       LYS  30 -21.568  -4.637   4.191
  234   1HZ   LYS  30          2HZ       LYS  30 -23.258  -2.474   5.127
  235   2HZ   LYS  30          1HZ       LYS  30 -23.558  -3.980   5.837
  236   3HZ   LYS  30          3HZ       LYS  30 -22.012  -3.296   5.921
  237    H    HIS  31           H        HIS  31 -17.702   0.900   2.866
  238    HA   HIS  31           HA       HIS  31 -15.743   1.170   1.738
  239   1HB   HIS  31          2HB       HIS  31 -14.724  -1.243   3.227
  240   2HB   HIS  31          1HB       HIS  31 -13.825   0.174   2.696
  241    HD1  HIS  31           HD1      HIS  31 -14.599  -1.203   5.694
  242    HD2  HIS  31           HD2      HIS  31 -15.450   2.548   4.122
  243    HE1  HIS  31           HE1      HIS  31 -14.990   0.286   7.682
  244    HE2  HIS  31           HE2      HIS  31 -15.508   2.551   6.708
  245    H    ALA  32           H        ALA  32 -17.601  -0.226   0.264
  246    HA   ALA  32           HA       ALA  32 -16.318  -2.577  -0.853
  247   1HB   ALA  32          2HB       ALA  32 -18.872  -2.118  -0.512
  248   2HB   ALA  32          1HB       ALA  32 -18.726  -1.317  -2.078
  249   3HB   ALA  32          3HB       ALA  32 -18.305  -3.022  -1.916
  250    H    ARG  33           H        ARG  33 -17.283  -2.126  -3.543
  251    HA   ARG  33           HA       ARG  33 -15.676   0.120  -4.501
  252   1HB   ARG  33          2HB       ARG  33 -15.052  -2.750  -4.875
  253   2HB   ARG  33          1HB       ARG  33 -14.902  -1.742  -6.308
  254   1HG   ARG  33          2HG       ARG  33 -13.228  -0.428  -5.355
  255   2HG   ARG  33          1HG       ARG  33 -13.606  -0.973  -3.719
  256   1HD   ARG  33          2HD       ARG  33 -11.566  -2.024  -4.456
  257   2HD   ARG  33          1HD       ARG  33 -12.836  -3.239  -4.337
  258    HE   ARG  33           HE       ARG  33 -12.789  -3.494  -6.637
  259   1HH1  ARG  33          1HH2      ARG  33 -10.786  -0.820  -5.662
  260   2HH1  ARG  33          2HH2      ARG  33 -10.011  -0.670  -7.204
  261   1HH2  ARG  33          2HH1      ARG  33 -11.775  -3.307  -8.670
  262   2HH2  ARG  33          1HH1      ARG  33 -10.575  -2.082  -8.916
  263    H    SER  34           H        SER  34 -18.479  -1.588  -4.571
  264    HA   SER  34           HA       SER  34 -19.593  -0.114  -6.686
  265   1HB   SER  34          2HB       SER  34 -20.099  -2.275  -8.095
  266   2HB   SER  34          1HB       SER  34 -18.580  -1.408  -8.322
  267    HG   SER  34           HG       SER  34 -18.325  -3.198  -6.337
  268    H    GLY  35           H        GLY  35 -21.781  -1.320  -7.396
  269   1HA   GLY  35          2HA       GLY  35 -23.154  -3.145  -5.984
  270   2HA   GLY  35          1HA       GLY  35 -23.175  -1.766  -4.893
  271    H    GLU  36           H        GLU  36 -25.545  -2.752  -5.776
  272    HA   GLU  36           HA       GLU  36 -26.797  -0.501  -6.860
  273   1HB   GLU  36          2HB       GLU  36 -25.535  -2.042  -8.839
  274   2HB   GLU  36          1HB       GLU  36 -27.243  -2.430  -8.982
  275   1HG   GLU  36          2HG       GLU  36 -27.726   0.001  -9.111
  276   2HG   GLU  36          1HG       GLU  36 -25.989   0.302  -9.114
  277    H    CYS  37           H        CYS  37 -29.106  -1.123  -7.691
  278    HA   CYS  37           HA       CYS  37 -30.230  -2.867  -5.663
  279   1HB   CYS  37          2HB       CYS  37 -31.210  -0.692  -7.403
  280   2HB   CYS  37          1HB       CYS  37 -32.377  -1.978  -7.112
  281    H    PHE  38           H        PHE  38 -31.092  -4.860  -6.023
  282    HA   PHE  38           HA       PHE  38 -31.622  -5.705  -8.769
  283   1HB   PHE  38          2HB       PHE  38 -29.670  -7.099  -6.937
  284   2HB   PHE  38          1HB       PHE  38 -30.342  -7.832  -8.390
  285    HD1  PHE  38           HD1      PHE  38 -30.025  -6.509 -10.589
  286    HD2  PHE  38           HD2      PHE  38 -27.721  -5.866  -7.072
  287    HE1  PHE  38           HE1      PHE  38 -28.263  -5.450 -11.942
  288    HE2  PHE  38           HE2      PHE  38 -25.954  -4.809  -8.416
  289    HZ   PHE  38           HZ       PHE  38 -26.223  -4.598 -10.854
  290    H    TYR  39           H        TYR  39 -33.033  -7.437  -8.974
  291    HA   TYR  39           HA       TYR  39 -34.892  -7.719  -6.827
  292   1HB   TYR  39          2HB       TYR  39 -34.724  -8.890  -9.592
  293   2HB   TYR  39          1HB       TYR  39 -35.998  -9.341  -8.462
  294    HD1  TYR  39           HD2      TYR  39 -34.439  -6.368 -10.074
  295    HD2  TYR  39           HD1      TYR  39 -37.934  -8.050  -8.325
  296    HE1  TYR  39           HE2      TYR  39 -35.723  -4.382 -10.746
  297    HE2  TYR  39           HE1      TYR  39 -39.229  -6.068  -8.991
  298    HH   TYR  39           HH       TYR  39 -38.851  -4.214 -11.017
  299    H    ASP  40           H        ASP  40 -35.803 -10.121  -6.611
  300    HA   ASP  40           HA       ASP  40 -33.738 -12.124  -6.399
  301   1HB   ASP  40          2HB       ASP  40 -34.863 -12.160  -3.800
  302   2HB   ASP  40          1HB       ASP  40 -33.207 -11.754  -4.238
  303    H    GLU  41           H        GLU  41 -34.832 -14.090  -5.074
  304    HA   GLU  41           HA       GLU  41 -36.956 -14.956  -6.689
  305   1HB   GLU  41          2HB       GLU  41 -37.184 -16.692  -4.694
  306   2HB   GLU  41          1HB       GLU  41 -35.829 -16.751  -5.814
  307   1HG   GLU  41          2HG       GLU  41 -35.131 -17.018  -3.486
  308   2HG   GLU  41          1HG       GLU  41 -34.421 -15.590  -4.237
  309    H    LYS  42           H        LYS  42 -37.052 -12.610  -4.456
  310    HA   LYS  42           HA       LYS  42 -39.733 -13.257  -3.445
  311   1HB   LYS  42          2HB       LYS  42 -37.730 -11.154  -2.613
  312   2HB   LYS  42          1HB       LYS  42 -39.349 -11.289  -1.941
  313   1HG   LYS  42          2HG       LYS  42 -38.602 -13.750  -1.438
  314   2HG   LYS  42          1HG       LYS  42 -36.983 -13.056  -1.565
  315   1HD   LYS  42          2HD       LYS  42 -39.192 -12.200   0.304
  316   2HD   LYS  42          1HD       LYS  42 -37.677 -12.995   0.740
  317   1HE   LYS  42          2HE       LYS  42 -38.079 -10.204  -0.307
  318   2HE   LYS  42          1HE       LYS  42 -37.402 -10.697   1.244
  319   1HZ   LYS  42          2HZ       LYS  42 -35.598 -11.802  -0.136
  320   2HZ   LYS  42          1HZ       LYS  42 -36.171 -10.885  -1.436
  321   3HZ   LYS  42          3HZ       LYS  42 -35.574 -10.113  -0.053
  322    H    ARG  43           H        ARG  43 -38.181 -11.466  -5.849
  323    HA   ARG  43           HA       ARG  43 -39.123 -10.194  -7.523
  324   1HB   ARG  43          2HB       ARG  43 -41.347 -11.265  -6.598
  325   2HB   ARG  43          1HB       ARG  43 -41.597  -9.653  -5.942
  326   1HG   ARG  43          2HG       ARG  43 -41.168  -8.804  -8.304
  327   2HG   ARG  43          1HG       ARG  43 -41.351 -10.484  -8.812
  328   1HD   ARG  43          2HD       ARG  43 -43.473  -9.475  -9.067
  329   2HD   ARG  43          1HD       ARG  43 -43.569 -10.479  -7.621
  330    HE   ARG  43           HE       ARG  43 -42.896  -8.026  -6.665
  331   1HH1  ARG  43          1HH2      ARG  43 -45.434  -9.217  -8.724
  332   2HH1  ARG  43          2HH2      ARG  43 -46.585  -8.023  -8.222
  333   1HH2  ARG  43          2HH1      ARG  43 -44.399  -6.443  -5.991
  334   2HH2  ARG  43          1HH1      ARG  43 -45.993  -6.438  -6.670
  335    H    ASN  44           H        ASN  44 -38.473  -9.401  -4.385
  336    HA   ASN  44           HA       ASN  44 -38.929  -6.529  -4.717
  337   1HB   ASN  44          2HB       ASN  44 -37.986  -8.146  -2.338
  338   2HB   ASN  44          1HB       ASN  44 -38.167  -6.393  -2.340
  339   1HD2  ASN  44          2HD2      ASN  44 -41.343  -6.928  -1.049
  340   2HD2  ASN  44          1HD2      ASN  44 -39.740  -6.339  -0.791
  341    H    LEU  45           H        LEU  45 -37.194  -5.013  -4.338
  342    HA   LEU  45           HA       LEU  45 -34.697  -5.965  -5.486
  343   1HB   LEU  45          2HB       LEU  45 -35.591  -3.158  -4.872
  344   2HB   LEU  45          1HB       LEU  45 -34.147  -3.609  -5.761
  345    HG   LEU  45           HG       LEU  45 -35.946  -4.864  -7.288
  346   1HD1  LEU  45          1HD1      LEU  45 -37.751  -3.994  -5.688
  347   2HD1  LEU  45          3HD1      LEU  45 -37.504  -2.438  -6.481
  348   3HD1  LEU  45          2HD1      LEU  45 -38.026  -3.836  -7.423
  349   1HD2  LEU  45          1HD2      LEU  45 -35.073  -1.994  -7.356
  350   2HD2  LEU  45          3HD2      LEU  45 -34.462  -3.361  -8.287
  351   3HD2  LEU  45          2HD2      LEU  45 -36.058  -2.697  -8.640
  352    H    GLN  46           H        GLN  46 -32.637  -5.327  -4.650
  353    HA   GLN  46           HA       GLN  46 -32.537  -4.588  -1.831
  354   1HB   GLN  46          2HB       GLN  46 -31.444  -7.181  -2.927
  355   2HB   GLN  46          1HB       GLN  46 -30.925  -6.494  -1.392
  356   1HG   GLN  46          2HG       GLN  46 -33.266  -6.578  -0.608
  357   2HG   GLN  46          1HG       GLN  46 -33.713  -7.371  -2.118
  358   1HE2  GLN  46          2HE2      GLN  46 -31.740 -10.325  -1.252
  359   2HE2  GLN  46          1HE2      GLN  46 -31.832  -9.183  -2.546
  360    H    CYS  47           H        CYS  47 -30.656  -3.610  -1.217
  361    HA   CYS  47           HA       CYS  47 -29.026  -2.532  -3.330
  362   1HB   CYS  47          2HB       CYS  47 -29.294  -2.114  -0.383
  363   2HB   CYS  47          1HB       CYS  47 -27.847  -1.525  -1.188
  364    H    ILE  48           H        ILE  48 -27.690  -4.085  -4.191
  365    HA   ILE  48           HA       ILE  48 -26.155  -5.822  -2.454
  366    HB   ILE  48           HB       ILE  48 -26.113  -5.606  -5.462
  367   1HG1  ILE  48          2HG1      ILE  48 -27.685  -7.310  -3.539
  368   2HG1  ILE  48          1HG1      ILE  48 -28.284  -6.323  -4.866
  369   1HG2  ILE  48          1HG2      ILE  48 -24.055  -6.574  -4.537
  370   2HG2  ILE  48          3HG2      ILE  48 -25.014  -7.757  -3.647
  371   3HG2  ILE  48          2HG2      ILE  48 -24.998  -7.776  -5.412
  372   1HD1  ILE  48          1HD1      ILE  48 -27.054  -7.938  -6.400
  373   2HD1  ILE  48          3HD1      ILE  48 -26.914  -8.983  -4.985
  374   3HD1  ILE  48          2HD1      ILE  48 -28.507  -8.528  -5.591
  375    H    CYS  49           H        CYS  49 -24.159  -5.467  -1.753
  376    HA   CYS  49           HA       CYS  49 -22.662  -3.201  -2.870
  377   1HB   CYS  49          2HB       CYS  49 -22.282  -4.748  -0.297
  378   2HB   CYS  49          1HB       CYS  49 -21.269  -3.406  -0.821
  379    H    ASP  50           H        ASP  50 -21.287  -3.700  -4.435
  380    HA   ASP  50           HA       ASP  50 -19.998  -6.327  -4.482
  381   1HB   ASP  50          2HB       ASP  50 -20.437  -4.167  -6.514
  382   2HB   ASP  50          1HB       ASP  50 -19.149  -5.342  -6.760
  383    H    TYR  51           H        TYR  51 -17.936  -6.653  -4.055
  384    HA   TYR  51           HA       TYR  51 -16.274  -4.342  -3.333
  385   1HB   TYR  51          2HB       TYR  51 -16.243  -7.245  -2.544
  386   2HB   TYR  51          1HB       TYR  51 -14.895  -6.167  -2.186
  387    HD1  TYR  51           HD2      TYR  51 -18.580  -6.495  -1.705
  388    HD2  TYR  51           HD1      TYR  51 -14.914  -4.930  -0.215
  389    HE1  TYR  51           HE2      TYR  51 -19.732  -5.757   0.339
  390    HE2  TYR  51           HE1      TYR  51 -16.055  -4.190   1.832
  391    HH   TYR  51           HH       TYR  51 -18.553  -3.558   2.421
  392    H    CYS  52           H        CYS  52 -16.282  -7.285  -5.288
  393    HA   CYS  52           HA       CYS  52 -14.045  -6.212  -6.840
  394   1HB   CYS  52          2HB       CYS  52 -13.937  -9.120  -6.183
  395   2HB   CYS  52          1HB       CYS  52 -12.627  -7.999  -6.540
  396    H    GLU  53           H        GLU  53 -17.014  -7.815  -6.694
  397    HA   GLU  53           HA       GLU  53 -18.399  -8.704  -8.261
  398   1HB   GLU  53          2HB       GLU  53 -17.905  -6.640  -9.489
  399   2HB   GLU  53          1HB       GLU  53 -16.480  -7.391 -10.194
  400   1HG   GLU  53          2HG       GLU  53 -18.586  -7.260 -11.620
  401   2HG   GLU  53          1HG       GLU  53 -17.738  -8.803 -11.547
  402    H    TYR  54           HN       TYR  54 -15.274  -8.958  -9.962
  403    HA   TYR  54           HA       TYR  54 -15.696 -11.480 -11.021
  404   1HB   TYR  54          2HB       TYR  54 -13.457  -9.663 -10.731
  405   2HB   TYR  54          1HB       TYR  54 -12.921 -11.329 -10.549
  406    HD1  TYR  54           HD1      TYR  54 -15.563  -9.843 -12.730
  407    HD2  TYR  54           HD2      TYR  54 -11.849 -11.908 -12.520
  408    HE1  TYR  54           HE1      TYR  54 -15.581 -10.112 -15.175
  409    HE2  TYR  54           HE2      TYR  54 -11.856 -12.181 -14.964
  410    HH   TYR  54           HH       TYR  54 -13.662 -12.248 -16.805
   
  No H/Q in entry =         410
  Start of MODEL   31
    1    HN   PCA   1           HN       PCA   1 -11.571 -17.626  -3.687
    2    HA   PCA   1           HA       PCA   1 -12.115 -15.200  -3.109
    3   1HB   PCA   1          1HB       PCA   1 -13.271 -14.061  -4.685
    4   2HB   PCA   1          2HB       PCA   1 -14.671 -15.137  -4.472
    5   1HG   PCA   1          1HG       PCA   1 -12.683 -15.153  -6.590
    6   2HG   PCA   1          2HG       PCA   1 -14.110 -16.191  -6.419
    7    H    ASP   2           H        ASP   2 -12.430 -16.025  -1.063
    8    HA   ASP   2           HA       ASP   2 -14.498 -17.810  -0.351
    9   1HB   ASP   2          2HB       ASP   2 -13.799 -17.533   1.867
   10   2HB   ASP   2          1HB       ASP   2 -12.335 -17.217   0.941
   11    H    LYS   3           H        LYS   3 -14.239 -14.283  -0.221
   12    HA   LYS   3           HA       LYS   3 -17.092 -14.033  -0.384
   13   1HB   LYS   3          2HB       LYS   3 -16.300 -14.339   2.133
   14   2HB   LYS   3          1HB       LYS   3 -15.949 -12.621   1.981
   15   1HG   LYS   3          2HG       LYS   3 -18.270 -12.215   1.316
   16   2HG   LYS   3          1HG       LYS   3 -18.612 -13.936   1.498
   17   1HD   LYS   3          2HD       LYS   3 -18.322 -13.863   3.824
   18   2HD   LYS   3          1HD       LYS   3 -17.477 -12.315   3.758
   19   1HE   LYS   3          2HE       LYS   3 -19.498 -11.157   3.226
   20   2HE   LYS   3          1HE       LYS   3 -20.371 -12.672   2.999
   21   1HZ   LYS   3          1HZ       LYS   3 -19.483 -12.936   5.510
   22   2HZ   LYS   3          3HZ       LYS   3 -19.718 -11.262   5.441
   23   3HZ   LYS   3          2HZ       LYS   3 -21.003 -12.310   5.108
   24    H    CYS   4           H        CYS   4 -17.439 -12.442  -1.748
   25    HA   CYS   4           HA       CYS   4 -16.059  -9.922  -1.484
   26   1HB   CYS   4          2HB       CYS   4 -15.075 -11.848  -3.301
   27   2HB   CYS   4          1HB       CYS   4 -15.860 -10.608  -4.272
   28    H    LYS   5           H        LYS   5 -18.788 -11.413  -1.702
   29    HA   LYS   5           HA       LYS   5 -20.129  -9.214  -3.071
   30   1HB   LYS   5          2HB       LYS   5 -20.123 -10.737  -4.860
   31   2HB   LYS   5          1HB       LYS   5 -20.365 -12.122  -3.805
   32   1HG   LYS   5          2HG       LYS   5 -22.540 -10.138  -3.763
   33   2HG   LYS   5          1HG       LYS   5 -22.313 -10.960  -5.307
   34   1HD   LYS   5          2HD       LYS   5 -22.942 -12.992  -4.473
   35   2HD   LYS   5          1HD       LYS   5 -22.341 -12.643  -2.854
   36   1HE   LYS   5          2HE       LYS   5 -24.245 -11.443  -2.268
   37   2HE   LYS   5          1HE       LYS   5 -24.712 -11.182  -3.947
   38   1HZ   LYS   5          2HZ       LYS   5 -24.664 -13.888  -2.762
   39   2HZ   LYS   5          1HZ       LYS   5 -26.018 -12.885  -2.615
   40   3HZ   LYS   5          3HZ       LYS   5 -25.479 -13.359  -4.147
   41    H    LYS   6           H        LYS   6 -21.505  -8.410  -1.582
   42    HA   LYS   6           HA       LYS   6 -23.211 -10.259  -0.131
   43   1HB   LYS   6          2HB       LYS   6 -22.472  -9.870   2.000
   44   2HB   LYS   6          1HB       LYS   6 -20.951  -9.788   1.124
   45   1HG   LYS   6          2HG       LYS   6 -21.240  -7.297   1.047
   46   2HG   LYS   6          1HG       LYS   6 -22.606  -7.497   2.146
   47   1HD   LYS   6          2HD       LYS   6 -20.846  -8.876   3.543
   48   2HD   LYS   6          1HD       LYS   6 -19.691  -7.902   2.631
   49   1HE   LYS   6          2HE       LYS   6 -21.986  -6.730   4.192
   50   2HE   LYS   6          1HE       LYS   6 -20.375  -6.967   4.864
   51   1HZ   LYS   6          1HZ       LYS   6 -20.275  -5.610   2.361
   52   2HZ   LYS   6          3HZ       LYS   6 -21.254  -4.782   3.465
   53   3HZ   LYS   6          2HZ       LYS   6 -19.649  -5.142   3.862
   54    H    VAL   7           H        VAL   7 -25.154  -9.460   0.341
   55    HA   VAL   7           HA       VAL   7 -25.933  -6.976  -0.760
   56    HB   VAL   7           HB       VAL   7 -28.113  -7.507  -0.199
   57   1HG1  VAL   7          3HG1      VAL   7 -26.784  -9.347  -1.473
   58   2HG1  VAL   7          2HG1      VAL   7 -27.052 -10.293  -0.009
   59   3HG1  VAL   7          1HG1      VAL   7 -28.425  -9.675  -0.923
   60   1HG2  VAL   7          1HG2      VAL   7 -26.940  -8.852   2.207
   61   2HG2  VAL   7          3HG2      VAL   7 -28.154  -7.576   2.124
   62   3HG2  VAL   7          2HG2      VAL   7 -28.578  -9.227   1.673
   63    H    TYR   8           H        TYR   8 -26.720  -5.119   0.290
   64    HA   TYR   8           HA       TYR   8 -25.151  -4.260   2.464
   65   1HB   TYR   8          2HB       TYR   8 -26.436  -2.943   0.581
   66   2HB   TYR   8          1HB       TYR   8 -27.724  -2.908   1.774
   67    HD1  TYR   8           HD2      TYR   8 -26.130  -2.565   4.286
   68    HD2  TYR   8           HD1      TYR   8 -25.736  -0.731   0.466
   69    HE1  TYR   8           HE2      TYR   8 -25.091  -0.611   5.341
   70    HE2  TYR   8           HE1      TYR   8 -24.689   1.226   1.514
   71    HH   TYR   8           HH       TYR   8 -23.625   1.236   4.755
   72    H    GLU   9           H        GLU   9 -25.874  -6.362   3.623
   73    HA   GLU   9           HA       GLU   9 -27.421  -7.462   5.035
   74   1HB   GLU   9          2HB       GLU   9 -26.589  -5.201   6.807
   75   2HB   GLU   9          1HB       GLU   9 -26.678  -6.921   7.161
   76   1HG   GLU   9          2HG       GLU   9 -24.798  -6.980   5.264
   77   2HG   GLU   9          1HG       GLU   9 -24.520  -5.354   5.886
   78    H    ASN  10           H        ASN  10 -28.276  -5.772   7.392
   79    HA   ASN  10           HA       ASN  10 -31.000  -5.713   6.905
   80   1HB   ASN  10          2HB       ASN  10 -30.813  -4.042   9.021
   81   2HB   ASN  10          1HB       ASN  10 -30.640  -5.789   9.143
   82   1HD2  ASN  10          2HD2      ASN  10 -27.502  -3.323   9.806
   83   2HD2  ASN  10          1HD2      ASN  10 -29.017  -2.736   9.219
   84    H    TYR  11           H        TYR  11 -29.159  -3.788   5.166
   85    HA   TYR  11           HA       TYR  11 -29.927  -1.166   5.567
   86   1HB   TYR  11          2HB       TYR  11 -28.320  -1.883   3.846
   87   2HB   TYR  11          1HB       TYR  11 -29.634  -2.576   2.905
   88    HD1  TYR  11           HD1      TYR  11 -27.997   0.514   4.002
   89    HD2  TYR  11           HD2      TYR  11 -31.089  -1.143   1.592
   90    HE1  TYR  11           HE1      TYR  11 -28.239   2.667   2.843
   91    HE2  TYR  11           HE2      TYR  11 -31.342   1.010   0.430
   92    HH   TYR  11           HH       TYR  11 -29.073   3.490   0.646
   93    HA   PRO  12           HA       PRO  12 -34.348  -0.997   5.158
   94   1HB   PRO  12          2HB       PRO  12 -34.541   1.277   3.516
   95   2HB   PRO  12          1HB       PRO  12 -34.548   1.256   5.277
   96   1HG   PRO  12          2HG       PRO  12 -32.287   1.761   3.403
   97   2HG   PRO  12          1HG       PRO  12 -32.646   2.520   4.966
   98   1HD   PRO  12          2HD       PRO  12 -30.727   0.704   4.758
   99   2HD   PRO  12          1HD       PRO  12 -31.795   0.707   6.172
  100    H    VAL  13           H        VAL  13 -33.733   0.526   2.152
  101    HA   VAL  13           HA       VAL  13 -33.479  -0.589   0.012
  102    HB   VAL  13           HB       VAL  13 -35.551  -2.469   1.135
  103   1HG1  VAL  13          1HG1      VAL  13 -34.634  -1.954  -1.646
  104   2HG1  VAL  13          3HG1      VAL  13 -35.060  -3.598  -1.172
  105   3HG1  VAL  13          2HG1      VAL  13 -36.252  -2.305  -1.036
  106   1HG2  VAL  13          2HG2      VAL  13 -32.844  -2.622   1.442
  107   2HG2  VAL  13          1HG2      VAL  13 -33.913  -4.022   1.400
  108   3HG2  VAL  13          3HG2      VAL  13 -33.062  -3.518  -0.059
  109    H    SER  14           H        SER  14 -35.825   0.868   1.868
  110    HA   SER  14           HA       SER  14 -37.975   1.095   0.042
  111   1HB   SER  14          2HB       SER  14 -38.946   2.462   1.604
  112   2HB   SER  14          1HB       SER  14 -37.717   1.720   2.629
  113    HG   SER  14           HG       SER  14 -37.801   4.044   2.755
  114    H    LYS  15           H        LYS  15 -35.256   1.669  -1.024
  115    HA   LYS  15           HA       LYS  15 -35.928   3.758  -2.794
  116   1HB   LYS  15          2HB       LYS  15 -34.346   4.438  -0.374
  117   2HB   LYS  15          1HB       LYS  15 -33.698   5.048  -1.887
  118   1HG   LYS  15          2HG       LYS  15 -36.536   5.594  -1.720
  119   2HG   LYS  15          1HG       LYS  15 -35.702   6.208  -0.297
  120   1HD   LYS  15          2HD       LYS  15 -34.663   6.745  -3.062
  121   2HD   LYS  15          1HD       LYS  15 -35.928   7.746  -2.347
  122   1HE   LYS  15          2HE       LYS  15 -34.525   8.648  -0.784
  123   2HE   LYS  15          1HE       LYS  15 -33.495   7.217  -0.725
  124   1HZ   LYS  15          2HZ       LYS  15 -33.500   8.699  -3.228
  125   2HZ   LYS  15          1HZ       LYS  15 -32.773   9.469  -1.908
  126   3HZ   LYS  15          3HZ       LYS  15 -32.221   7.952  -2.411
  127    H    CYS  16           H        CYS  16 -35.274   2.455  -4.433
  128    HA   CYS  16           HA       CYS  16 -32.507   2.265  -5.019
  129   1HB   CYS  16          2HB       CYS  16 -33.543   0.192  -3.377
  130   2HB   CYS  16          1HB       CYS  16 -33.277  -0.512  -4.967
  131    H    GLN  17           H        GLN  17 -35.132   3.021  -6.169
  132    HA   GLN  17           HA       GLN  17 -35.697   1.142  -8.254
  133   1HB   GLN  17          2HB       GLN  17 -36.568   3.972  -8.520
  134   2HB   GLN  17          1HB       GLN  17 -37.470   2.485  -8.782
  135   1HG   GLN  17          2HG       GLN  17 -36.961   3.968  -6.246
  136   2HG   GLN  17          1HG       GLN  17 -38.481   3.374  -6.914
  137   1HE2  GLN  17          2HE2      GLN  17 -37.454  -0.080  -5.992
  138   2HE2  GLN  17          1HE2      GLN  17 -37.722   0.753  -7.482
  139    H    LEU  18           H        LEU  18 -32.960   2.510  -7.932
  140    HA   LEU  18           HA       LEU  18 -32.387   2.705 -10.725
  141   1HB   LEU  18          2HB       LEU  18 -32.771   5.143  -9.110
  142   2HB   LEU  18          1HB       LEU  18 -31.292   5.122 -10.048
  143    HG   LEU  18           HG       LEU  18 -34.067   4.790 -11.170
  144   1HD1  LEU  18          3HD1      LEU  18 -32.260   7.127 -10.815
  145   2HD1  LEU  18          2HD1      LEU  18 -33.287   7.049 -12.247
  146   3HD1  LEU  18          1HD1      LEU  18 -34.012   7.017 -10.639
  147   1HD2  LEU  18          2HD2      LEU  18 -31.338   4.642 -12.361
  148   2HD2  LEU  18          1HD2      LEU  18 -32.776   3.686 -12.723
  149   3HD2  LEU  18          3HD2      LEU  18 -32.646   5.342 -13.313
  150    H    ALA  19           H        ALA  19 -30.638   4.560  -8.323
  151    HA   ALA  19           HA       ALA  19 -28.839   2.603  -7.405
  152   1HB   ALA  19          1HB       ALA  19 -28.367   2.868 -10.010
  153   2HB   ALA  19          3HB       ALA  19 -27.411   4.235  -9.439
  154   3HB   ALA  19          2HB       ALA  19 -27.070   2.609  -8.847
  155    H    ASN  20           H        ASN  20 -26.483   4.296  -7.649
  156    HA   ASN  20           HA       ASN  20 -25.430   5.969  -6.574
  157   1HB   ASN  20          2HB       ASN  20 -26.354   7.873  -7.356
  158   2HB   ASN  20          1HB       ASN  20 -27.949   7.140  -7.418
  159   1HD2  ASN  20          2HD2      ASN  20 -26.908   9.661  -4.441
  160   2HD2  ASN  20          1HD2      ASN  20 -25.782   9.137  -5.643
  161    H    GLN  21           H        GLN  21 -28.590   6.229  -4.943
  162    HA   GLN  21           HA       GLN  21 -27.773   6.613  -2.415
  163   1HB   GLN  21          2HB       GLN  21 -30.130   6.469  -2.965
  164   2HB   GLN  21          1HB       GLN  21 -29.984   4.748  -3.294
  165   1HG   GLN  21          2HG       GLN  21 -31.013   5.087  -1.147
  166   2HG   GLN  21          1HG       GLN  21 -29.421   4.358  -0.945
  167   1HE2  GLN  21          2HE2      GLN  21 -29.027   8.294  -0.257
  168   2HE2  GLN  21          1HE2      GLN  21 -29.349   7.635  -1.821
  169    H    CYS  22           H        CYS  22 -28.784   3.284  -3.068
  170    HA   CYS  22           HA       CYS  22 -27.150   2.161  -1.101
  171   1HB   CYS  22          2HB       CYS  22 -28.942   1.214  -3.180
  172   2HB   CYS  22          1HB       CYS  22 -27.560   0.137  -3.003
  173    H    ASN  23           H        ASN  23 -26.583   2.639  -4.561
  174    HA   ASN  23           HA       ASN  23 -24.212   1.194  -4.834
  175   1HB   ASN  23          2HB       ASN  23 -25.731   2.557  -6.556
  176   2HB   ASN  23          1HB       ASN  23 -24.478   3.770  -6.314
  177   1HD2  ASN  23          2HD2      ASN  23 -22.024   1.107  -7.381
  178   2HD2  ASN  23          1HD2      ASN  23 -22.401   1.789  -5.838
  179    H    TYR  24           H        TYR  24 -24.200   4.750  -4.831
  180    HA   TYR  24           HA       TYR  24 -21.567   5.099  -4.155
  181   1HB   TYR  24          2HB       TYR  24 -22.267   7.202  -4.543
  182   2HB   TYR  24          1HB       TYR  24 -23.939   6.757  -4.236
  183    HD1  TYR  24           HD2      TYR  24 -20.836   7.214  -2.218
  184    HD2  TYR  24           HD1      TYR  24 -24.992   8.031  -2.625
  185    HE1  TYR  24           HE2      TYR  24 -20.775   8.506  -0.136
  186    HE2  TYR  24           HE1      TYR  24 -24.945   9.330  -0.537
  187    HH   TYR  24           HH       TYR  24 -22.846  10.664   0.757
  188    H    ASP  25           H        ASP  25 -24.303   4.608  -1.948
  189    HA   ASP  25           HA       ASP  25 -22.994   5.136   0.445
  190   1HB   ASP  25          2HB       ASP  25 -25.217   3.196  -0.178
  191   2HB   ASP  25          1HB       ASP  25 -24.642   3.498   1.458
  192    H    CYS  26           H        CYS  26 -23.582   1.817  -0.758
  193    HA   CYS  26           HA       CYS  26 -21.770   0.640   0.979
  194   1HB   CYS  26          2HB       CYS  26 -23.209  -0.172  -1.428
  195   2HB   CYS  26          1HB       CYS  26 -21.642  -0.963  -1.299
  196    H    LYS  27           H        LYS  27 -21.279   2.073  -2.190
  197    HA   LYS  27           HA       LYS  27 -18.622   1.299  -2.597
  198   1HB   LYS  27          2HB       LYS  27 -20.384   2.516  -4.142
  199   2HB   LYS  27          1HB       LYS  27 -19.557   3.960  -3.570
  200   1HG   LYS  27          2HG       LYS  27 -17.484   3.228  -4.467
  201   2HG   LYS  27          1HG       LYS  27 -18.125   1.622  -4.807
  202   1HD   LYS  27          2HD       LYS  27 -18.229   2.568  -6.897
  203   2HD   LYS  27          1HD       LYS  27 -19.837   2.959  -6.291
  204   1HE   LYS  27          2HE       LYS  27 -17.485   4.831  -6.062
  205   2HE   LYS  27          1HE       LYS  27 -18.591   4.836  -7.434
  206   1HZ   LYS  27          1HZ       LYS  27 -20.245   4.924  -5.285
  207   2HZ   LYS  27          3HZ       LYS  27 -18.951   5.900  -4.797
  208   3HZ   LYS  27          2HZ       LYS  27 -19.785   6.252  -6.226
  209    H    LEU  28           H        LEU  28 -19.594   2.891   0.048
  210    HA   LEU  28           HA       LEU  28 -16.962   3.933   0.544
  211   1HB   LEU  28          2HB       LEU  28 -18.096   5.735  -0.797
  212   2HB   LEU  28          1HB       LEU  28 -19.217   5.925   0.536
  213    HG   LEU  28           HG       LEU  28 -17.190   6.392   2.003
  214   1HD1  LEU  28          1HD1      LEU  28 -15.913   6.375  -0.706
  215   2HD1  LEU  28          3HD1      LEU  28 -15.279   7.382   0.596
  216   3HD1  LEU  28          2HD1      LEU  28 -15.360   5.632   0.794
  217   1HD2  LEU  28          1HD2      LEU  28 -18.782   8.103   1.143
  218   2HD2  LEU  28          3HD2      LEU  28 -17.148   8.711   1.411
  219   3HD2  LEU  28          2HD2      LEU  28 -17.699   8.354  -0.225
  220    H    ASP  29           H        ASP  29 -20.329   3.696   1.628
  221    HA   ASP  29           HA       ASP  29 -19.792   4.346   4.339
  222   1HB   ASP  29          2HB       ASP  29 -22.069   2.993   2.923
  223   2HB   ASP  29          1HB       ASP  29 -22.011   3.009   4.682
  224    H    LYS  30           H        LYS  30 -19.045   1.666   2.464
  225    HA   LYS  30           HA       LYS  30 -18.215   0.175   4.836
  226   1HB   LYS  30          2HB       LYS  30 -20.228  -0.695   2.858
  227   2HB   LYS  30          1HB       LYS  30 -18.988  -1.888   3.221
  228   1HG   LYS  30          2HG       LYS  30 -19.542  -1.866   5.541
  229   2HG   LYS  30          1HG       LYS  30 -20.632  -0.495   5.320
  230   1HD   LYS  30          2HD       LYS  30 -22.272  -1.776   4.365
  231   2HD   LYS  30          1HD       LYS  30 -21.127  -2.955   3.720
  232   1HE   LYS  30          2HE       LYS  30 -22.557  -3.821   5.568
  233   2HE   LYS  30          1HE       LYS  30 -20.826  -3.941   5.877
  234   1HZ   LYS  30          3HZ       LYS  30 -21.006  -1.877   7.188
  235   2HZ   LYS  30          2HZ       LYS  30 -22.684  -1.903   6.976
  236   3HZ   LYS  30          1HZ       LYS  30 -21.921  -3.146   7.833
  237    H    HIS  31           H        HIS  31 -17.277   1.715   2.250
  238    HA   HIS  31           HA       HIS  31 -15.482   1.682   0.855
  239   1HB   HIS  31          2HB       HIS  31 -14.133  -0.474   2.400
  240   2HB   HIS  31          1HB       HIS  31 -13.505   1.070   1.831
  241    HD1  HIS  31           HD1      HIS  31 -14.960  -0.592   4.769
  242    HD2  HIS  31           HD2      HIS  31 -14.176   3.295   3.528
  243    HE1  HIS  31           HE1      HIS  31 -15.144   0.823   6.840
  244    HE2  HIS  31           HE2      HIS  31 -14.686   3.178   6.063
  245    H    ALA  32           H        ALA  32 -17.492   0.262  -0.184
  246    HA   ALA  32           HA       ALA  32 -16.588  -2.398  -0.909
  247   1HB   ALA  32          2HB       ALA  32 -19.027  -0.823  -1.739
  248   2HB   ALA  32          1HB       ALA  32 -18.693  -2.487  -2.219
  249   3HB   ALA  32          3HB       ALA  32 -18.951  -2.095  -0.519
  250    H    ARG  33           H        ARG  33 -16.858  -2.940  -3.355
  251    HA   ARG  33           HA       ARG  33 -15.094  -1.112  -4.794
  252   1HB   ARG  33          2HB       ARG  33 -14.490  -3.488  -4.723
  253   2HB   ARG  33          1HB       ARG  33 -16.028  -3.910  -5.462
  254   1HG   ARG  33          2HG       ARG  33 -14.836  -3.913  -7.373
  255   2HG   ARG  33          1HG       ARG  33 -15.056  -2.165  -7.299
  256   1HD   ARG  33          2HD       ARG  33 -12.765  -2.461  -7.675
  257   2HD   ARG  33          1HD       ARG  33 -12.892  -2.125  -5.948
  258    HE   ARG  33           HE       ARG  33 -12.987  -4.879  -6.245
  259   1HH1  ARG  33          1HH2      ARG  33 -10.746  -2.288  -6.861
  260   2HH1  ARG  33          2HH2      ARG  33  -9.342  -3.277  -6.646
  261   1HH2  ARG  33          1HH1      ARG  33  -9.569  -5.496  -6.120
  262   2HH2  ARG  33          2HH1      ARG  33 -11.147  -6.192  -5.951
  263    H    SER  34           H        SER  34 -18.139  -2.870  -5.325
  264    HA   SER  34           HA       SER  34 -19.275  -0.627  -6.716
  265   1HB   SER  34          2HB       SER  34 -19.454  -1.510  -8.885
  266   2HB   SER  34          1HB       SER  34 -17.800  -1.907  -8.420
  267    HG   SER  34           HG       SER  34 -20.042  -3.584  -8.640
  268    H    GLY  35           H        GLY  35 -21.384  -0.591  -6.266
  269   1HA   GLY  35          2HA       GLY  35 -22.747  -3.161  -5.767
  270   2HA   GLY  35          1HA       GLY  35 -22.919  -1.820  -4.647
  271    H    GLU  36           H        GLU  36 -25.143  -2.941  -5.705
  272    HA   GLU  36           HA       GLU  36 -26.489  -0.751  -6.814
  273   1HB   GLU  36          2HB       GLU  36 -25.005  -2.027  -8.753
  274   2HB   GLU  36          1HB       GLU  36 -26.580  -2.784  -8.939
  275   1HG   GLU  36          2HG       GLU  36 -27.622  -0.745  -9.442
  276   2HG   GLU  36          1HG       GLU  36 -26.257   0.198  -8.845
  277    H    CYS  37           H        CYS  37 -28.706  -1.220  -7.380
  278    HA   CYS  37           HA       CYS  37 -29.768  -3.281  -5.649
  279   1HB   CYS  37          2HB       CYS  37 -31.498  -1.498  -7.298
  280   2HB   CYS  37          1HB       CYS  37 -31.718  -2.047  -5.639
  281    H    PHE  38           H        PHE  38 -30.555  -5.189  -6.319
  282    HA   PHE  38           HA       PHE  38 -31.152  -5.526  -9.193
  283   1HB   PHE  38          2HB       PHE  38 -29.494  -7.219  -7.365
  284   2HB   PHE  38          1HB       PHE  38 -30.404  -8.001  -8.651
  285    HD1  PHE  38           HD2      PHE  38 -29.915  -7.478 -11.008
  286    HD2  PHE  38           HD1      PHE  38 -27.549  -5.933  -7.826
  287    HE1  PHE  38           HE2      PHE  38 -28.127  -6.932 -12.608
  288    HE2  PHE  38           HE1      PHE  38 -25.757  -5.384  -9.420
  289    HZ   PHE  38           HZ       PHE  38 -26.045  -5.884 -11.814
  290    H    TYR  39           H        TYR  39 -32.804  -6.931  -9.741
  291    HA   TYR  39           HA       TYR  39 -34.760  -7.417  -7.608
  292   1HB   TYR  39          2HB       TYR  39 -34.929  -7.046 -10.578
  293   2HB   TYR  39          1HB       TYR  39 -36.197  -7.954  -9.764
  294    HD1  TYR  39           HD1      TYR  39 -34.547  -4.658  -9.990
  295    HD2  TYR  39           HD2      TYR  39 -37.872  -6.847  -8.480
  296    HE1  TYR  39           HE1      TYR  39 -35.679  -2.547  -9.436
  297    HE2  TYR  39           HE2      TYR  39 -39.011  -4.741  -7.926
  298    HH   TYR  39           HH       TYR  39 -38.879  -2.285  -8.824
  299    H    ASP  40           H        ASP  40 -35.831  -9.457  -7.463
  300    HA   ASP  40           HA       ASP  40 -34.137 -11.686  -8.325
  301   1HB   ASP  40          2HB       ASP  40 -35.931 -12.903  -6.755
  302   2HB   ASP  40          1HB       ASP  40 -34.515 -12.085  -6.105
  303    H    GLU  41           H        GLU  41 -35.463 -13.761  -8.817
  304    HA   GLU  41           HA       GLU  41 -36.848 -13.308 -11.207
  305   1HB   GLU  41          2HB       GLU  41 -35.635 -15.441 -10.364
  306   2HB   GLU  41          1HB       GLU  41 -37.178 -15.833  -9.616
  307   1HG   GLU  41          2HG       GLU  41 -37.350 -16.937 -11.611
  308   2HG   GLU  41          1HG       GLU  41 -38.128 -15.404 -12.000
  309    H    LYS  42           H        LYS  42 -37.887 -12.672  -8.182
  310    HA   LYS  42           HA       LYS  42 -40.680 -13.407  -8.682
  311   1HB   LYS  42          2HB       LYS  42 -39.637 -13.893  -6.459
  312   2HB   LYS  42          1HB       LYS  42 -39.461 -12.163  -6.209
  313   1HG   LYS  42          2HG       LYS  42 -41.557 -12.008  -5.451
  314   2HG   LYS  42          1HG       LYS  42 -42.182 -12.742  -6.927
  315   1HD   LYS  42          2HD       LYS  42 -41.104 -14.279  -4.561
  316   2HD   LYS  42          1HD       LYS  42 -42.814 -13.970  -4.868
  317   1HE   LYS  42          2HE       LYS  42 -41.998 -15.036  -7.257
  318   2HE   LYS  42          1HE       LYS  42 -41.002 -15.924  -6.103
  319   1HZ   LYS  42          1HZ       LYS  42 -43.728 -15.711  -5.260
  320   2HZ   LYS  42          3HZ       LYS  42 -43.586 -16.481  -6.760
  321   3HZ   LYS  42          2HZ       LYS  42 -42.754 -17.084  -5.417
  322    H    ARG  43           H        ARG  43 -39.367 -10.584  -7.019
  323    HA   ARG  43           HA       ARG  43 -39.755  -8.604  -8.870
  324   1HB   ARG  43          2HB       ARG  43 -41.999  -7.665  -8.085
  325   2HB   ARG  43          1HB       ARG  43 -42.043  -9.041  -9.165
  326   1HG   ARG  43          2HG       ARG  43 -43.634  -9.604  -7.603
  327   2HG   ARG  43          1HG       ARG  43 -42.214 -10.449  -6.998
  328   1HD   ARG  43          2HD       ARG  43 -42.264  -7.810  -5.875
  329   2HD   ARG  43          1HD       ARG  43 -43.833  -8.569  -5.633
  330    HE   ARG  43           HE       ARG  43 -41.391 -10.014  -4.899
  331   1HH1  ARG  43          1HH2      ARG  43 -44.380  -8.467  -3.980
  332   2HH1  ARG  43          2HH2      ARG  43 -44.371  -9.122  -2.378
  333   1HH2  ARG  43          2HH1      ARG  43 -41.375 -10.873  -2.791
  334   2HH2  ARG  43          1HH1      ARG  43 -42.663 -10.483  -1.701
  335    H    ASN  44           H        ASN  44 -38.456  -9.451  -6.251
  336    HA   ASN  44           HA       ASN  44 -39.031  -7.120  -4.584
  337   1HB   ASN  44          2HB       ASN  44 -36.961  -9.139  -3.836
  338   2HB   ASN  44          1HB       ASN  44 -38.073  -8.241  -2.810
  339   1HD2  ASN  44          2HD2      ASN  44 -39.383 -11.559  -2.604
  340   2HD2  ASN  44          1HD2      ASN  44 -38.126 -10.557  -1.972
  341    H    LEU  45           H        LEU  45 -36.559  -6.778  -3.360
  342    HA   LEU  45           HA       LEU  45 -34.663  -6.136  -5.481
  343   1HB   LEU  45          2HB       LEU  45 -36.310  -4.184  -4.023
  344   2HB   LEU  45          1HB       LEU  45 -34.600  -3.797  -4.045
  345    HG   LEU  45           HG       LEU  45 -35.966  -4.494  -6.611
  346   1HD1  LEU  45          3HD1      LEU  45 -36.289  -1.975  -5.037
  347   2HD1  LEU  45          2HD1      LEU  45 -36.237  -1.914  -6.799
  348   3HD1  LEU  45          1HD1      LEU  45 -37.479  -2.867  -5.986
  349   1HD2  LEU  45          2HD2      LEU  45 -33.431  -4.088  -6.176
  350   2HD2  LEU  45          1HD2      LEU  45 -34.206  -3.386  -7.596
  351   3HD2  LEU  45          3HD2      LEU  45 -33.901  -2.387  -6.176
  352    H    GLN  46           H        GLN  46 -32.540  -5.891  -4.786
  353    HA   GLN  46           HA       GLN  46 -31.961  -6.027  -1.940
  354   1HB   GLN  46          2HB       GLN  46 -31.190  -8.200  -3.885
  355   2HB   GLN  46          1HB       GLN  46 -30.397  -7.979  -2.330
  356   1HG   GLN  46          2HG       GLN  46 -32.902  -8.061  -1.466
  357   2HG   GLN  46          1HG       GLN  46 -33.114  -8.989  -2.950
  358   1HE2  GLN  46          2HE2      GLN  46 -32.356 -11.718  -0.882
  359   2HE2  GLN  46          1HE2      GLN  46 -33.611 -10.809  -1.644
  360    H    CYS  47           H        CYS  47 -30.317  -4.749  -1.495
  361    HA   CYS  47           HA       CYS  47 -28.795  -3.516  -3.595
  362   1HB   CYS  47          2HB       CYS  47 -28.791  -3.265  -0.592
  363   2HB   CYS  47          1HB       CYS  47 -27.646  -2.393  -1.606
  364    H    ILE  48           H        ILE  48 -27.455  -5.000  -4.554
  365    HA   ILE  48           HA       ILE  48 -25.768  -6.736  -2.976
  366    HB   ILE  48           HB       ILE  48 -25.817  -6.261  -5.951
  367   1HG1  ILE  48          2HG1      ILE  48 -27.856  -7.297  -4.626
  368   2HG1  ILE  48          1HG1      ILE  48 -27.332  -7.988  -6.159
  369   1HG2  ILE  48          3HG2      ILE  48 -24.242  -8.087  -4.203
  370   2HG2  ILE  48          2HG2      ILE  48 -24.734  -8.645  -5.802
  371   3HG2  ILE  48          1HG2      ILE  48 -23.746  -7.194  -5.640
  372   1HD1  ILE  48          1HD1      ILE  48 -26.141  -9.052  -3.658
  373   2HD1  ILE  48          3HD1      ILE  48 -27.802  -9.488  -4.057
  374   3HD1  ILE  48          2HD1      ILE  48 -26.497  -9.866  -5.181
  375    H    CYS  49           H        CYS  49 -23.941  -6.018  -2.056
  376    HA   CYS  49           HA       CYS  49 -22.426  -3.878  -3.413
  377   1HB   CYS  49          2HB       CYS  49 -22.065  -4.778  -0.552
  378   2HB   CYS  49          1HB       CYS  49 -21.504  -3.283  -1.300
  379    H    ASP  50           H        ASP  50 -20.831  -4.648  -4.637
  380    HA   ASP  50           HA       ASP  50 -19.495  -7.153  -3.908
  381   1HB   ASP  50          2HB       ASP  50 -19.243  -5.534  -6.451
  382   2HB   ASP  50          1HB       ASP  50 -18.612  -7.154  -6.172
  383    H    TYR  51           H        TYR  51 -17.215  -7.339  -3.909
  384    HA   TYR  51           HA       TYR  51 -15.813  -4.815  -3.291
  385   1HB   TYR  51          2HB       TYR  51 -15.629  -7.530  -2.001
  386   2HB   TYR  51          1HB       TYR  51 -14.410  -6.281  -1.756
  387    HD1  TYR  51           HD2      TYR  51 -18.071  -6.904  -1.440
  388    HD2  TYR  51           HD1      TYR  51 -14.698  -4.719  -0.042
  389    HE1  TYR  51           HE2      TYR  51 -19.441  -5.960   0.369
  390    HE2  TYR  51           HE1      TYR  51 -16.059  -3.770   1.773
  391    HH   TYR  51           HH       TYR  51 -19.520  -4.495   2.049
  392    H    CYS  52           H        CYS  52 -15.703  -7.863  -4.999
  393    HA   CYS  52           HA       CYS  52 -12.908  -7.451  -5.750
  394   1HB   CYS  52          2HB       CYS  52 -14.839  -9.722  -6.084
  395   2HB   CYS  52          1HB       CYS  52 -13.395  -9.643  -7.082
  396    H    GLU  53           H        GLU  53 -14.673  -9.052  -8.134
  397    HA   GLU  53           HA       GLU  53 -15.583  -6.895  -9.706
  398   1HB   GLU  53          2HB       GLU  53 -13.023  -6.612  -9.729
  399   2HB   GLU  53          1HB       GLU  53 -13.002  -8.053 -10.735
  400   1HG   GLU  53          2HG       GLU  53 -14.277  -6.972 -12.435
  401   2HG   GLU  53          1HG       GLU  53 -14.558  -5.571 -11.404
  402    H    TYR  54           HN       TYR  54 -17.286  -8.435  -9.846
  403    HA   TYR  54           HA       TYR  54 -18.505 -10.063 -10.855
  404   1HB   TYR  54          2HB       TYR  54 -16.349  -9.558 -12.877
  405   2HB   TYR  54          1HB       TYR  54 -17.502 -10.863 -13.134
  406    HD1  TYR  54           HD1      TYR  54 -17.472  -7.246 -12.202
  407    HD2  TYR  54           HD2      TYR  54 -19.428 -10.379 -14.311
  408    HE1  TYR  54           HE1      TYR  54 -19.093  -5.628 -13.088
  409    HE2  TYR  54           HE2      TYR  54 -21.053  -8.768 -15.204
  410    HH   TYR  54           HH       TYR  54 -20.991  -5.360 -14.237
   
  No H/Q in entry =         410
  Start of MODEL   32
    1    HN   PCA   1           HN       PCA   1  -9.518 -12.723  -7.798
    2    HA   PCA   1           HA       PCA   1 -11.311 -11.008  -7.242
    3   1HB   PCA   1          1HB       PCA   1 -12.307 -10.064  -9.042
    4   2HB   PCA   1          2HB       PCA   1 -13.081 -11.616  -9.434
    5   1HG   PCA   1          1HG       PCA   1 -10.821 -10.367 -10.732
    6   2HG   PCA   1          2HG       PCA   1 -11.573 -11.925 -11.119
    7    H    ASP   2           H        ASP   2 -11.509 -12.616  -5.621
    8    HA   ASP   2           HA       ASP   2 -13.110 -14.973  -6.179
    9   1HB   ASP   2          2HB       ASP   2 -12.177 -14.154  -3.444
   10   2HB   ASP   2          1HB       ASP   2 -12.444 -15.774  -4.083
   11    H    LYS   3           H        LYS   3 -14.744 -15.487  -4.290
   12    HA   LYS   3           HA       LYS   3 -16.995 -13.988  -4.623
   13   1HB   LYS   3          2HB       LYS   3 -16.767 -15.051  -1.884
   14   2HB   LYS   3          1HB       LYS   3 -17.940 -15.423  -3.142
   15   1HG   LYS   3          2HG       LYS   3 -15.991 -16.741  -4.228
   16   2HG   LYS   3          1HG       LYS   3 -15.272 -16.659  -2.619
   17   1HD   LYS   3          2HD       LYS   3 -16.427 -18.588  -2.321
   18   2HD   LYS   3          1HD       LYS   3 -17.751 -17.477  -1.960
   19   1HE   LYS   3          2HE       LYS   3 -17.229 -19.080  -4.427
   20   2HE   LYS   3          1HE       LYS   3 -18.710 -18.937  -3.481
   21   1HZ   LYS   3          3HZ       LYS   3 -18.727 -16.537  -4.271
   22   2HZ   LYS   3          2HZ       LYS   3 -17.574 -17.012  -5.414
   23   3HZ   LYS   3          1HZ       LYS   3 -19.107 -17.725  -5.414
   24    H    CYS   4           H        CYS   4 -17.681 -12.024  -4.004
   25    HA   CYS   4           HA       CYS   4 -16.754 -10.834  -1.541
   26   1HB   CYS   4          2HB       CYS   4 -15.668 -10.080  -4.169
   27   2HB   CYS   4          1HB       CYS   4 -16.187  -8.722  -3.182
   28    H    LYS   5           H        LYS   5 -19.282 -11.669  -2.599
   29    HA   LYS   5           HA       LYS   5 -20.720  -9.157  -3.080
   30   1HB   LYS   5          2HB       LYS   5 -20.966 -11.653  -4.214
   31   2HB   LYS   5          1HB       LYS   5 -22.255 -11.677  -3.024
   32   1HG   LYS   5          2HG       LYS   5 -23.303 -10.881  -4.921
   33   2HG   LYS   5          1HG       LYS   5 -22.940  -9.412  -4.018
   34   1HD   LYS   5          2HD       LYS   5 -21.268  -8.765  -5.481
   35   2HD   LYS   5          1HD       LYS   5 -20.997 -10.408  -6.066
   36   1HE   LYS   5          2HE       LYS   5 -23.344  -8.619  -6.675
   37   2HE   LYS   5          1HE       LYS   5 -22.085  -9.143  -7.793
   38   1HZ   LYS   5          1HZ       LYS   5 -22.974 -11.496  -7.011
   39   2HZ   LYS   5          3HZ       LYS   5 -24.396 -10.606  -6.782
   40   3HZ   LYS   5          2HZ       LYS   5 -23.667 -10.656  -8.306
   41    H    LYS   6           H        LYS   6 -22.003  -8.229  -1.544
   42    HA   LYS   6           HA       LYS   6 -22.938  -9.819   0.705
   43   1HB   LYS   6          2HB       LYS   6 -20.826  -7.740   0.908
   44   2HB   LYS   6          1HB       LYS   6 -22.045  -7.760   2.175
   45   1HG   LYS   6          2HG       LYS   6 -21.522 -10.180   2.520
   46   2HG   LYS   6          1HG       LYS   6 -20.180  -9.984   1.391
   47   1HD   LYS   6          2HD       LYS   6 -18.992  -8.621   2.832
   48   2HD   LYS   6          1HD       LYS   6 -20.432  -8.141   3.730
   49   1HE   LYS   6          2HE       LYS   6 -19.813 -11.018   3.840
   50   2HE   LYS   6          1HE       LYS   6 -18.612  -9.972   4.597
   51   1HZ   LYS   6          1HZ       LYS   6 -20.488  -8.929   5.835
   52   2HZ   LYS   6          3HZ       LYS   6 -21.501 -10.147   5.241
   53   3HZ   LYS   6          2HZ       LYS   6 -20.195 -10.545   6.239
   54    H    VAL   7           H        VAL   7 -25.011  -9.371   0.913
   55    HA   VAL   7           HA       VAL   7 -26.247  -7.128  -0.263
   56    HB   VAL   7           HB       VAL   7 -28.217  -8.128   0.185
   57   1HG1  VAL   7          3HG1      VAL   7 -26.706  -9.948  -0.536
   58   2HG1  VAL   7          2HG1      VAL   7 -26.478 -10.380   1.160
   59   3HG1  VAL   7          1HG1      VAL   7 -28.076 -10.504   0.426
   60   1HG2  VAL   7          2HG2      VAL   7 -27.194  -8.561   2.984
   61   2HG2  VAL   7          1HG2      VAL   7 -28.516  -7.525   2.444
   62   3HG2  VAL   7          3HG2      VAL   7 -28.702  -9.279   2.421
   63    H    TYR   8           H        TYR   8 -27.127  -5.295   0.562
   64    HA   TYR   8           HA       TYR   8 -26.005  -4.378   3.083
   65   1HB   TYR   8          2HB       TYR   8 -26.107  -2.931   0.985
   66   2HB   TYR   8          1HB       TYR   8 -27.849  -2.867   1.217
   67    HD1  TYR   8           HD2      TYR   8 -26.915  -2.853   4.482
   68    HD2  TYR   8           HD1      TYR   8 -26.498  -0.390   1.029
   69    HE1  TYR   8           HE2      TYR   8 -26.643  -0.893   5.918
   70    HE2  TYR   8           HE1      TYR   8 -26.225   1.579   2.472
   71    HH   TYR   8           HH       TYR   8 -26.682   1.398   5.940
   72    H    GLU   9           H        GLU   9 -27.083  -5.036   4.842
   73    HA   GLU   9           HA       GLU   9 -29.657  -6.025   4.885
   74   1HB   GLU   9          2HB       GLU   9 -28.701  -4.632   7.337
   75   2HB   GLU   9          1HB       GLU   9 -29.410  -6.231   7.157
   76   1HG   GLU   9          2HG       GLU   9 -27.221  -6.890   6.034
   77   2HG   GLU   9          1HG       GLU   9 -26.578  -5.379   6.677
   78    H    ASN  10           H        ASN  10 -31.218  -4.879   6.678
   79    HA   ASN  10           HA       ASN  10 -33.090  -3.465   6.299
   80   1HB   ASN  10          2HB       ASN  10 -32.547  -1.369   7.594
   81   2HB   ASN  10          1HB       ASN  10 -32.146  -2.876   8.411
   82   1HD2  ASN  10          2HD2      ASN  10 -28.724  -2.278   8.547
   83   2HD2  ASN  10          1HD2      ASN  10 -30.020  -3.396   8.781
   84    H    TYR  11           H        TYR  11 -33.732  -2.846   4.332
   85    HA   TYR  11           HA       TYR  11 -33.235  -0.281   3.343
   86   1HB   TYR  11          2HB       TYR  11 -31.085  -1.907   2.776
   87   2HB   TYR  11          1HB       TYR  11 -32.037  -2.046   1.307
   88    HD1  TYR  11           HD1      TYR  11 -33.160   0.596   0.942
   89    HD2  TYR  11           HD2      TYR  11 -29.298  -0.514   2.344
   90    HE1  TYR  11           HE1      TYR  11 -32.261   2.746   0.157
   91    HE2  TYR  11           HE2      TYR  11 -28.392   1.634   1.564
   92    HH   TYR  11           HH       TYR  11 -29.550   3.458  -0.557
   93    HA   PRO  12           HA       PRO  12 -37.081  -2.497   1.987
   94   1HB   PRO  12          2HB       PRO  12 -37.977   0.339   2.113
   95   2HB   PRO  12          1HB       PRO  12 -38.768  -1.123   2.716
   96   1HG   PRO  12          2HG       PRO  12 -37.577   0.551   4.400
   97   2HG   PRO  12          1HG       PRO  12 -37.446  -1.203   4.628
   98   1HD   PRO  12          2HD       PRO  12 -35.442   0.719   3.510
   99   2HD   PRO  12          1HD       PRO  12 -35.192  -0.670   4.590
  100    H    VAL  13           H        VAL  13 -34.877  -0.653   0.484
  101    HA   VAL  13           HA       VAL  13 -34.470  -0.703  -1.813
  102    HB   VAL  13           HB       VAL  13 -37.452  -0.547  -2.178
  103   1HG1  VAL  13          1HG1      VAL  13 -35.179  -0.387  -4.098
  104   2HG1  VAL  13          3HG1      VAL  13 -36.736  -1.043  -4.603
  105   3HG1  VAL  13          2HG1      VAL  13 -36.630   0.609  -3.995
  106   1HG2  VAL  13          3HG2      VAL  13 -35.490  -2.770  -2.164
  107   2HG2  VAL  13          2HG2      VAL  13 -37.194  -2.775  -1.716
  108   3HG2  VAL  13          1HG2      VAL  13 -36.733  -2.815  -3.415
  109    H    SER  14           H        SER  14 -37.369   1.317  -1.369
  110    HA   SER  14           HA       SER  14 -37.639   3.505  -2.142
  111   1HB   SER  14          2HB       SER  14 -37.097   4.915  -0.373
  112   2HB   SER  14          1HB       SER  14 -37.051   3.333   0.403
  113    HG   SER  14           HG       SER  14 -34.752   4.547  -0.714
  114    H    LYS  15           H        LYS  15 -36.785   3.568  -4.211
  115    HA   LYS  15           HA       LYS  15 -35.568   4.801  -5.751
  116   1HB   LYS  15          2HB       LYS  15 -33.249   4.966  -3.832
  117   2HB   LYS  15          1HB       LYS  15 -33.572   5.957  -5.242
  118   1HG   LYS  15          2HG       LYS  15 -35.783   6.230  -3.460
  119   2HG   LYS  15          1HG       LYS  15 -34.304   6.448  -2.528
  120   1HD   LYS  15          2HD       LYS  15 -34.690   7.885  -5.136
  121   2HD   LYS  15          1HD       LYS  15 -35.416   8.498  -3.652
  122   1HE   LYS  15          2HE       LYS  15 -32.501   7.807  -3.798
  123   2HE   LYS  15          1HE       LYS  15 -33.102   9.383  -4.313
  124   1HZ   LYS  15          3HZ       LYS  15 -34.221   8.820  -1.821
  125   2HZ   LYS  15          2HZ       LYS  15 -32.567   8.486  -1.708
  126   3HZ   LYS  15          1HZ       LYS  15 -33.087  10.016  -2.206
  127    H    CYS  16           H        CYS  16 -32.435   4.072  -5.089
  128    HA   CYS  16           HA       CYS  16 -30.997   2.385  -5.597
  129   1HB   CYS  16          2HB       CYS  16 -33.327   0.939  -4.940
  130   2HB   CYS  16          1HB       CYS  16 -32.753   0.255  -6.455
  131    H    GLN  17           H        GLN  17 -33.830   2.437  -7.755
  132    HA   GLN  17           HA       GLN  17 -32.496   1.580 -10.063
  133   1HB   GLN  17          2HB       GLN  17 -34.793   3.532 -10.064
  134   2HB   GLN  17          1HB       GLN  17 -34.383   2.344 -11.293
  135   1HG   GLN  17          2HG       GLN  17 -34.793   0.633  -9.371
  136   2HG   GLN  17          1HG       GLN  17 -35.705   1.958  -8.650
  137   1HE2  GLN  17          2HE2      GLN  17 -37.020   0.338 -12.178
  138   2HE2  GLN  17          1HE2      GLN  17 -35.333   0.377 -11.810
  139    H    LEU  18           H        LEU  18 -32.162   4.421  -8.317
  140    HA   LEU  18           HA       LEU  18 -31.544   6.229 -10.427
  141   1HB   LEU  18          2HB       LEU  18 -30.908   6.261  -7.480
  142   2HB   LEU  18          1HB       LEU  18 -30.516   7.578  -8.570
  143    HG   LEU  18           HG       LEU  18 -32.634   7.821  -7.181
  144   1HD1  LEU  18          3HD1      LEU  18 -32.043   9.136  -9.238
  145   2HD1  LEU  18          2HD1      LEU  18 -33.034   8.004 -10.158
  146   3HD1  LEU  18          1HD1      LEU  18 -33.769   9.001  -8.902
  147   1HD2  LEU  18          2HD2      LEU  18 -33.374   5.458  -7.597
  148   2HD2  LEU  18          1HD2      LEU  18 -34.606   6.689  -7.865
  149   3HD2  LEU  18          3HD2      LEU  18 -33.783   5.950  -9.239
  150    H    ALA  19           H        ALA  19 -29.601   4.236  -8.241
  151    HA   ALA  19           HA       ALA  19 -27.621   3.122  -8.869
  152   1HB   ALA  19          2HB       ALA  19 -27.904   4.083 -11.229
  153   2HB   ALA  19          1HB       ALA  19 -26.873   5.402 -10.666
  154   3HB   ALA  19          3HB       ALA  19 -26.271   3.745 -10.662
  155    H    ASN  20           H        ASN  20 -28.406   5.807  -7.328
  156    HA   ASN  20           HA       ASN  20 -25.689   6.580  -6.573
  157   1HB   ASN  20          2HB       ASN  20 -27.358   8.347  -7.105
  158   2HB   ASN  20          1HB       ASN  20 -28.324   7.805  -5.736
  159   1HD2  ASN  20          2HD2      ASN  20 -24.649   9.229  -4.692
  160   2HD2  ASN  20          1HD2      ASN  20 -24.821   8.018  -5.912
  161    H    GLN  21           H        GLN  21 -27.737   7.319  -4.101
  162    HA   GLN  21           HA       GLN  21 -26.966   6.555  -1.883
  163   1HB   GLN  21          2HB       GLN  21 -29.527   5.354  -2.923
  164   2HB   GLN  21          1HB       GLN  21 -29.058   5.284  -1.231
  165   1HG   GLN  21          2HG       GLN  21 -29.408   7.825  -2.803
  166   2HG   GLN  21          1HG       GLN  21 -30.635   7.112  -1.757
  167   1HE2  GLN  21          2HE2      GLN  21 -28.180   7.624   1.067
  168   2HE2  GLN  21          1HE2      GLN  21 -28.678   6.214   0.205
  169    H    CYS  22           H        CYS  22 -28.264   3.770  -3.678
  170    HA   CYS  22           HA       CYS  22 -27.108   1.793  -2.094
  171   1HB   CYS  22          2HB       CYS  22 -28.914   1.601  -3.928
  172   2HB   CYS  22          1HB       CYS  22 -27.564   1.446  -5.048
  173    H    ASN  23           H        ASN  23 -26.052   2.542  -5.417
  174    HA   ASN  23           HA       ASN  23 -23.628   1.241  -5.329
  175   1HB   ASN  23          2HB       ASN  23 -24.876   2.560  -7.267
  176   2HB   ASN  23          1HB       ASN  23 -23.764   3.844  -6.794
  177   1HD2  ASN  23          2HD2      ASN  23 -21.721   2.361  -9.243
  178   2HD2  ASN  23          1HD2      ASN  23 -22.871   3.611  -8.923
  179    H    TYR  24           H        TYR  24 -24.258   4.665  -4.592
  180    HA   TYR  24           HA       TYR  24 -21.667   5.406  -3.905
  181   1HB   TYR  24          2HB       TYR  24 -23.089   7.218  -4.068
  182   2HB   TYR  24          1HB       TYR  24 -24.390   6.412  -3.202
  183    HD1  TYR  24           HD1      TYR  24 -20.858   7.376  -2.428
  184    HD2  TYR  24           HD2      TYR  24 -24.935   7.441  -1.214
  185    HE1  TYR  24           HE1      TYR  24 -20.223   8.579  -0.380
  186    HE2  TYR  24           HE2      TYR  24 -24.312   8.646   0.837
  187    HH   TYR  24           HH       TYR  24 -21.805   8.739   2.227
  188    H    ASP  25           H        ASP  25 -24.253   4.102  -1.844
  189    HA   ASP  25           HA       ASP  25 -22.894   4.183   0.588
  190   1HB   ASP  25          2HB       ASP  25 -25.059   2.356  -0.439
  191   2HB   ASP  25          1HB       ASP  25 -24.431   2.230   1.201
  192    H    CYS  26           H        CYS  26 -23.185   1.417  -1.658
  193    HA   CYS  26           HA       CYS  26 -21.497  -0.293  -0.254
  194   1HB   CYS  26          2HB       CYS  26 -21.792  -0.159  -3.264
  195   2HB   CYS  26          1HB       CYS  26 -21.239  -1.543  -2.331
  196    H    LYS  27           H        LYS  27 -20.737   2.025  -2.832
  197    HA   LYS  27           HA       LYS  27 -17.979   1.547  -2.967
  198   1HB   LYS  27          2HB       LYS  27 -19.670   3.065  -4.390
  199   2HB   LYS  27          1HB       LYS  27 -18.946   4.324  -3.399
  200   1HG   LYS  27          2HG       LYS  27 -16.775   3.848  -4.226
  201   2HG   LYS  27          1HG       LYS  27 -17.330   2.365  -5.007
  202   1HD   LYS  27          2HD       LYS  27 -17.070   4.068  -6.683
  203   2HD   LYS  27          1HD       LYS  27 -18.792   3.747  -6.467
  204   1HE   LYS  27          2HE       LYS  27 -17.603   5.904  -4.812
  205   2HE   LYS  27          1HE       LYS  27 -17.778   6.222  -6.538
  206   1HZ   LYS  27          2HZ       LYS  27 -19.983   5.311  -4.771
  207   2HZ   LYS  27          1HZ       LYS  27 -19.711   6.922  -5.208
  208   3HZ   LYS  27          3HZ       LYS  27 -20.113   5.781  -6.390
  209    H    LEU  28           H        LEU  28 -19.479   2.245  -0.260
  210    HA   LEU  28           HA       LEU  28 -17.161   3.323   1.016
  211   1HB   LEU  28          2HB       LEU  28 -18.584   5.280  -0.002
  212   2HB   LEU  28          1HB       LEU  28 -19.655   4.963   1.340
  213    HG   LEU  28           HG       LEU  28 -17.260   6.559   1.272
  214   1HD1  LEU  28          3HD1      LEU  28 -19.481   7.098   2.284
  215   2HD1  LEU  28          2HD1      LEU  28 -19.063   6.018   3.615
  216   3HD1  LEU  28          1HD1      LEU  28 -18.084   7.451   3.302
  217   1HD2  LEU  28          1HD2      LEU  28 -17.151   4.211   3.137
  218   2HD2  LEU  28          3HD2      LEU  28 -15.895   4.840   2.074
  219   3HD2  LEU  28          2HD2      LEU  28 -16.367   5.740   3.512
  220    H    ASP  29           H        ASP  29 -19.377   4.415   3.000
  221    HA   ASP  29           HA       ASP  29 -20.043   3.651   5.053
  222   1HB   ASP  29          2HB       ASP  29 -21.493   1.933   3.055
  223   2HB   ASP  29          1HB       ASP  29 -21.820   1.806   4.781
  224    H    LYS  30           H        LYS  30 -19.976   0.492   3.418
  225    HA   LYS  30           HA       LYS  30 -18.518  -0.603   5.694
  226   1HB   LYS  30          2HB       LYS  30 -19.344  -2.281   3.369
  227   2HB   LYS  30          1HB       LYS  30 -19.329  -2.670   5.084
  228   1HG   LYS  30          2HG       LYS  30 -21.304  -1.304   5.435
  229   2HG   LYS  30          1HG       LYS  30 -21.299  -0.838   3.732
  230   1HD   LYS  30          2HD       LYS  30 -21.924  -2.964   3.021
  231   2HD   LYS  30          1HD       LYS  30 -21.396  -3.727   4.522
  232   1HE   LYS  30          2HE       LYS  30 -23.853  -3.613   4.314
  233   2HE   LYS  30          1HE       LYS  30 -23.243  -2.744   5.722
  234   1HZ   LYS  30          3HZ       LYS  30 -23.325  -0.951   3.591
  235   2HZ   LYS  30          2HZ       LYS  30 -24.807  -1.762   3.609
  236   3HZ   LYS  30          1HZ       LYS  30 -24.274  -0.946   4.991
  237    H    HIS  31           H        HIS  31 -17.740   0.782   2.795
  238    HA   HIS  31           HA       HIS  31 -15.670   1.058   1.842
  239   1HB   HIS  31          2HB       HIS  31 -14.557  -1.371   3.186
  240   2HB   HIS  31          1HB       HIS  31 -13.753   0.132   2.750
  241    HD1  HIS  31           HD1      HIS  31 -13.798  -1.306   5.622
  242    HD2  HIS  31           HD2      HIS  31 -15.956   2.053   4.468
  243    HE1  HIS  31           HE1      HIS  31 -14.332  -0.084   7.754
  244    HE2  HIS  31           HE2      HIS  31 -15.626   1.953   7.032
  245    H    ALA  32           H        ALA  32 -17.707  -0.268   0.539
  246    HA   ALA  32           HA       ALA  32 -16.583  -2.682  -0.637
  247   1HB   ALA  32          1HB       ALA  32 -19.169  -1.906  -0.154
  248   2HB   ALA  32          3HB       ALA  32 -19.013  -1.597  -1.882
  249   3HB   ALA  32          2HB       ALA  32 -18.692  -3.207  -1.245
  250    H    ARG  33           H        ARG  33 -16.818  -2.793  -3.141
  251    HA   ARG  33           HA       ARG  33 -15.314  -0.522  -4.204
  252   1HB   ARG  33          2HB       ARG  33 -14.684  -3.058  -4.412
  253   2HB   ARG  33          1HB       ARG  33 -15.857  -3.053  -5.720
  254   1HG   ARG  33          2HG       ARG  33 -13.725  -0.975  -5.724
  255   2HG   ARG  33          1HG       ARG  33 -13.304  -2.628  -6.169
  256   1HD   ARG  33          2HD       ARG  33 -15.709  -1.399  -7.415
  257   2HD   ARG  33          1HD       ARG  33 -14.120  -0.874  -7.968
  258    HE   ARG  33           HE       ARG  33 -14.056  -3.629  -7.984
  259   1HH1  ARG  33          1HH2      ARG  33 -15.933  -1.126  -9.513
  260   2HH1  ARG  33          2HH2      ARG  33 -16.236  -2.049 -10.946
  261   1HH2  ARG  33          2HH1      ARG  33 -14.458  -4.858  -9.863
  262   2HH2  ARG  33          1HH1      ARG  33 -15.401  -4.173 -11.145
  263    H    SER  34           H        SER  34 -18.346  -2.187  -4.512
  264    HA   SER  34           HA       SER  34 -19.608  -0.040  -5.819
  265   1HB   SER  34          2HB       SER  34 -19.940  -0.864  -8.032
  266   2HB   SER  34          1HB       SER  34 -18.210  -0.991  -7.717
  267    HG   SER  34           HG       SER  34 -18.352  -3.125  -7.666
  268    H    GLY  35           H        GLY  35 -21.655  -1.378  -7.158
  269   1HA   GLY  35          2HA       GLY  35 -22.752  -3.623  -6.004
  270   2HA   GLY  35          1HA       GLY  35 -23.201  -2.299  -4.939
  271    H    GLU  36           H        GLU  36 -25.317  -3.390  -5.834
  272    HA   GLU  36           HA       GLU  36 -26.637  -1.464  -7.365
  273   1HB   GLU  36          2HB       GLU  36 -25.127  -3.148  -8.990
  274   2HB   GLU  36          1HB       GLU  36 -26.751  -3.809  -9.108
  275   1HG   GLU  36          2HG       GLU  36 -27.590  -1.599  -9.754
  276   2HG   GLU  36          1HG       GLU  36 -25.946  -0.965  -9.670
  277    H    CYS  37           H        CYS  37 -28.881  -2.061  -7.840
  278    HA   CYS  37           HA       CYS  37 -29.896  -3.839  -5.783
  279   1HB   CYS  37          2HB       CYS  37 -30.782  -1.447  -7.080
  280   2HB   CYS  37          1HB       CYS  37 -32.015  -2.679  -7.303
  281    H    PHE  38           H        PHE  38 -30.966  -5.762  -6.137
  282    HA   PHE  38           HA       PHE  38 -31.648  -6.507  -8.883
  283   1HB   PHE  38          2HB       PHE  38 -29.665  -8.020  -7.183
  284   2HB   PHE  38          1HB       PHE  38 -30.462  -8.721  -8.589
  285    HD1  PHE  38           HD1      PHE  38 -30.289  -7.232 -10.774
  286    HD2  PHE  38           HD2      PHE  38 -27.604  -7.060  -7.477
  287    HE1  PHE  38           HE1      PHE  38 -28.567  -6.255 -12.234
  288    HE2  PHE  38           HE2      PHE  38 -25.875  -6.083  -8.933
  289    HZ   PHE  38           HZ       PHE  38 -26.356  -5.679 -11.315
  290    H    TYR  39           H        TYR  39 -33.428  -7.661  -9.038
  291    HA   TYR  39           HA       TYR  39 -35.309  -7.996  -7.147
  292   1HB   TYR  39          2HB       TYR  39 -34.738  -9.275  -9.714
  293   2HB   TYR  39          1HB       TYR  39 -35.726 -10.270  -8.649
  294    HD1  TYR  39           HD2      TYR  39 -35.758  -6.556  -8.817
  295    HD2  TYR  39           HD1      TYR  39 -37.787 -10.174  -9.780
  296    HE1  TYR  39           HE2      TYR  39 -37.745  -5.263  -9.469
  297    HE2  TYR  39           HE1      TYR  39 -39.778  -8.888 -10.438
  298    HH   TYR  39           HH       TYR  39 -39.821  -5.338 -10.245
  299    H    ASP  40           H        ASP  40 -36.191  -9.925  -6.100
  300    HA   ASP  40           HA       ASP  40 -34.175 -11.862  -5.221
  301   1HB   ASP  40          2HB       ASP  40 -34.945 -11.624  -2.881
  302   2HB   ASP  40          1HB       ASP  40 -34.209 -10.145  -3.489
  303    H    GLU  41           H        GLU  41 -35.825 -13.117  -3.315
  304    HA   GLU  41           HA       GLU  41 -37.295 -14.831  -4.978
  305   1HB   GLU  41          2HB       GLU  41 -37.900 -14.626  -2.057
  306   2HB   GLU  41          1HB       GLU  41 -37.767 -16.059  -3.070
  307   1HG   GLU  41          2HG       GLU  41 -35.304 -15.570  -3.234
  308   2HG   GLU  41          1HG       GLU  41 -35.547 -14.359  -1.977
  309    H    LYS  42           H        LYS  42 -38.177 -11.938  -3.264
  310    HA   LYS  42           HA       LYS  42 -41.023 -12.380  -3.823
  311   1HB   LYS  42          2HB       LYS  42 -39.699 -10.196  -2.208
  312   2HB   LYS  42          1HB       LYS  42 -41.427 -10.478  -2.341
  313   1HG   LYS  42          2HG       LYS  42 -39.428 -12.365  -1.110
  314   2HG   LYS  42          1HG       LYS  42 -40.517 -11.299  -0.226
  315   1HD   LYS  42          2HD       LYS  42 -41.249 -13.653  -1.962
  316   2HD   LYS  42          1HD       LYS  42 -41.467 -13.491  -0.221
  317   1HE   LYS  42          2HE       LYS  42 -42.962 -11.487  -0.794
  318   2HE   LYS  42          1HE       LYS  42 -42.965 -12.130  -2.436
  319   1HZ   LYS  42          3HZ       LYS  42 -43.506 -14.234  -0.681
  320   2HZ   LYS  42          2HZ       LYS  42 -44.514 -12.946  -0.252
  321   3HZ   LYS  42          1HZ       LYS  42 -44.535 -13.544  -1.834
  322    H    ARG  43           H        ARG  43 -39.031 -11.730  -5.915
  323    HA   ARG  43           HA       ARG  43 -38.872 -10.441  -7.780
  324   1HB   ARG  43          2HB       ARG  43 -41.623  -9.562  -6.908
  325   2HB   ARG  43          1HB       ARG  43 -40.903  -9.187  -8.467
  326   1HG   ARG  43          2HG       ARG  43 -40.971 -11.416  -9.165
  327   2HG   ARG  43          1HG       ARG  43 -41.227 -12.013  -7.523
  328   1HD   ARG  43          2HD       ARG  43 -43.235 -10.155  -8.683
  329   2HD   ARG  43          1HD       ARG  43 -43.213 -11.820  -9.255
  330    HE   ARG  43           HE       ARG  43 -43.356 -12.360  -6.751
  331   1HH1  ARG  43          1HH2      ARG  43 -44.839  -9.602  -8.284
  332   2HH1  ARG  43          2HH2      ARG  43 -46.098  -9.462  -7.104
  333   1HH2  ARG  43          2HH1      ARG  43 -45.016 -12.185  -5.198
  334   2HH2  ARG  43          1HH1      ARG  43 -46.204 -10.934  -5.356
  335    H    ASN  44           H        ASN  44 -38.607  -9.234  -4.810
  336    HA   ASN  44           HA       ASN  44 -38.525  -6.409  -5.569
  337   1HB   ASN  44          2HB       ASN  44 -38.229  -7.803  -2.904
  338   2HB   ASN  44          1HB       ASN  44 -38.015  -6.069  -3.118
  339   1HD2  ASN  44          2HD2      ASN  44 -41.631  -7.531  -2.510
  340   2HD2  ASN  44          1HD2      ASN  44 -40.149  -8.366  -2.213
  341    H    LEU  45           H        LEU  45 -36.710  -5.141  -5.471
  342    HA   LEU  45           HA       LEU  45 -34.232  -6.580  -5.883
  343   1HB   LEU  45          2HB       LEU  45 -33.420  -4.248  -6.527
  344   2HB   LEU  45          1HB       LEU  45 -34.553  -5.060  -7.584
  345    HG   LEU  45           HG       LEU  45 -35.552  -3.145  -5.506
  346   1HD1  LEU  45          2HD1      LEU  45 -34.244  -2.476  -8.119
  347   2HD1  LEU  45          1HD1      LEU  45 -35.489  -1.438  -7.425
  348   3HD1  LEU  45          3HD1      LEU  45 -34.000  -1.745  -6.533
  349   1HD2  LEU  45          3HD2      LEU  45 -36.852  -4.777  -7.267
  350   2HD2  LEU  45          2HD2      LEU  45 -37.518  -3.293  -6.590
  351   3HD2  LEU  45          1HD2      LEU  45 -36.764  -3.273  -8.183
  352    H    GLN  46           H        GLN  46 -32.767  -6.862  -4.439
  353    HA   GLN  46           HA       GLN  46 -32.712  -5.150  -2.057
  354   1HB   GLN  46          2HB       GLN  46 -31.807  -7.936  -2.655
  355   2HB   GLN  46          1HB       GLN  46 -30.970  -7.039  -1.396
  356   1HG   GLN  46          2HG       GLN  46 -33.244  -6.616  -0.374
  357   2HG   GLN  46          1HG       GLN  46 -33.866  -7.818  -1.504
  358   1HE2  GLN  46          2HE2      GLN  46 -32.210  -8.959   1.920
  359   2HE2  GLN  46          1HE2      GLN  46 -32.661  -7.337   1.534
  360    H    CYS  47           H        CYS  47 -30.780  -4.163  -1.379
  361    HA   CYS  47           HA       CYS  47 -29.090  -3.307  -3.537
  362   1HB   CYS  47          2HB       CYS  47 -29.656  -2.477  -0.785
  363   2HB   CYS  47          1HB       CYS  47 -27.968  -2.270  -1.235
  364    H    ILE  48           H        ILE  48 -27.746  -4.904  -4.249
  365    HA   ILE  48           HA       ILE  48 -26.193  -6.455  -2.353
  366    HB   ILE  48           HB       ILE  48 -26.232  -6.530  -5.364
  367   1HG1  ILE  48          2HG1      ILE  48 -27.417  -8.373  -3.275
  368   2HG1  ILE  48          1HG1      ILE  48 -28.315  -7.322  -4.365
  369   1HG2  ILE  48          2HG2      ILE  48 -24.795  -8.266  -3.367
  370   2HG2  ILE  48          1HG2      ILE  48 -24.989  -8.667  -5.074
  371   3HG2  ILE  48          3HG2      ILE  48 -24.071  -7.237  -4.603
  372   1HD1  ILE  48          1HD1      ILE  48 -26.898  -8.777  -6.137
  373   2HD1  ILE  48          3HD1      ILE  48 -27.107  -9.950  -4.838
  374   3HD1  ILE  48          2HD1      ILE  48 -28.518  -9.191  -5.577
  375    H    CYS  49           H        CYS  49 -24.334  -5.709  -1.556
  376    HA   CYS  49           HA       CYS  49 -22.848  -3.656  -3.033
  377   1HB   CYS  49          2HB       CYS  49 -22.737  -4.611  -0.177
  378   2HB   CYS  49          1HB       CYS  49 -21.531  -3.526  -0.856
  379    H    ASP  50           H        ASP  50 -21.167  -4.173  -4.215
  380    HA   ASP  50           HA       ASP  50 -19.850  -6.763  -3.824
  381   1HB   ASP  50          2HB       ASP  50 -20.494  -6.462  -6.085
  382   2HB   ASP  50          1HB       ASP  50 -19.908  -4.801  -6.112
  383    H    TYR  51           H        TYR  51 -17.816  -6.964  -3.173
  384    HA   TYR  51           HA       TYR  51 -16.386  -4.512  -2.418
  385   1HB   TYR  51          2HB       TYR  51 -16.291  -7.344  -1.404
  386   2HB   TYR  51          1HB       TYR  51 -15.100  -6.134  -0.934
  387    HD1  TYR  51           HD1      TYR  51 -18.828  -6.344  -1.220
  388    HD2  TYR  51           HD2      TYR  51 -15.477  -5.176   1.125
  389    HE1  TYR  51           HE1      TYR  51 -20.345  -5.564   0.537
  390    HE2  TYR  51           HE2      TYR  51 -16.988  -4.394   2.902
  391    HH   TYR  51           HH       TYR  51 -20.254  -5.177   3.013
  392    H    CYS  52           H        CYS  52 -16.129  -7.413  -4.346
  393    HA   CYS  52           HA       CYS  52 -13.661  -6.375  -5.513
  394   1HB   CYS  52          2HB       CYS  52 -13.697  -9.300  -4.930
  395   2HB   CYS  52          1HB       CYS  52 -12.335  -8.194  -5.054
  396    H    GLU  53           H        GLU  53 -15.537  -5.959  -7.058
  397    HA   GLU  53           HA       GLU  53 -16.670  -6.428  -8.981
  398   1HB   GLU  53          2HB       GLU  53 -14.341  -6.611  -9.752
  399   2HB   GLU  53          1HB       GLU  53 -14.341  -8.320  -9.350
  400   1HG   GLU  53          2HG       GLU  53 -14.765  -8.464 -11.576
  401   2HG   GLU  53          1HG       GLU  53 -16.421  -8.336 -10.985
  402    H    TYR  54           HN       TYR  54 -15.419  -9.671  -9.078
  403    HA   TYR  54           HA       TYR  54 -17.633 -11.047  -9.629
  404   1HB   TYR  54          2HB       TYR  54 -15.146 -11.703  -8.231
  405   2HB   TYR  54          1HB       TYR  54 -16.477 -12.761  -7.767
  406    HD1  TYR  54           HD1      TYR  54 -15.871 -11.165 -11.058
  407    HD2  TYR  54           HD2      TYR  54 -15.926 -14.786  -8.824
  408    HE1  TYR  54           HE1      TYR  54 -15.586 -12.438 -13.130
  409    HE2  TYR  54           HE2      TYR  54 -15.632 -16.075 -10.899
  410    HH   TYR  54           HH       TYR  54 -14.695 -15.666 -13.205
   
  No H/Q in entry =         410
  Start of MODEL   33
    1    HN   PCA   1           HN       PCA   1 -17.613 -18.112  -8.768
    2    HA   PCA   1           HA       PCA   1 -15.544 -17.886 -10.218
    3   1HB   PCA   1          1HB       PCA   1 -15.915 -18.232 -12.424
    4   2HB   PCA   1          2HB       PCA   1 -16.788 -16.686 -12.513
    5   1HG   PCA   1          1HG       PCA   1 -17.894 -19.344 -12.555
    6   2HG   PCA   1          2HG       PCA   1 -18.776 -17.807 -12.559
    7    H    ASP   2           H        ASP   2 -17.283 -16.278  -8.397
    8    HA   ASP   2           HA       ASP   2 -16.094 -13.692  -8.998
    9   1HB   ASP   2          2HB       ASP   2 -19.070 -14.081  -8.627
   10   2HB   ASP   2          1HB       ASP   2 -18.263 -12.516  -8.590
   11    H    LYS   3           H        LYS   3 -18.758 -14.479  -6.820
   12    HA   LYS   3           HA       LYS   3 -18.976 -14.216  -4.571
   13   1HB   LYS   3          2HB       LYS   3 -17.905 -16.319  -4.437
   14   2HB   LYS   3          1HB       LYS   3 -16.334 -15.635  -4.820
   15   1HG   LYS   3          2HG       LYS   3 -17.488 -14.499  -2.393
   16   2HG   LYS   3          1HG       LYS   3 -17.286 -16.246  -2.291
   17   1HD   LYS   3          2HD       LYS   3 -14.991 -16.129  -2.473
   18   2HD   LYS   3          1HD       LYS   3 -15.023 -14.585  -3.321
   19   1HE   LYS   3          2HE       LYS   3 -15.832 -13.543  -1.178
   20   2HE   LYS   3          1HE       LYS   3 -15.495 -15.086  -0.391
   21   1HZ   LYS   3          2HZ       LYS   3 -13.478 -13.501  -1.883
   22   2HZ   LYS   3          1HZ       LYS   3 -13.674 -13.447  -0.204
   23   3HZ   LYS   3          3HZ       LYS   3 -13.196 -14.886  -0.955
   24    H    CYS   4           H        CYS   4 -19.067 -12.117  -4.063
   25    HA   CYS   4           HA       CYS   4 -17.111 -10.866  -2.578
   26   1HB   CYS   4          2HB       CYS   4 -16.461 -10.813  -5.352
   27   2HB   CYS   4          1HB       CYS   4 -16.891  -9.173  -4.883
   28    H    LYS   5           H        LYS   5 -20.067 -11.158  -3.091
   29    HA   LYS   5           HA       LYS   5 -20.713  -8.342  -2.648
   30   1HB   LYS   5          2HB       LYS   5 -22.568  -8.359  -4.162
   31   2HB   LYS   5          1HB       LYS   5 -21.140  -8.885  -5.040
   32   1HG   LYS   5          2HG       LYS   5 -23.332 -10.646  -3.967
   33   2HG   LYS   5          1HG       LYS   5 -23.035 -10.235  -5.657
   34   1HD   LYS   5          2HD       LYS   5 -20.677 -11.239  -5.205
   35   2HD   LYS   5          1HD       LYS   5 -21.466 -12.013  -3.831
   36   1HE   LYS   5          2HE       LYS   5 -22.523 -12.210  -6.644
   37   2HE   LYS   5          1HE       LYS   5 -21.364 -13.357  -5.976
   38   1HZ   LYS   5          1HZ       LYS   5 -22.975 -13.814  -4.187
   39   2HZ   LYS   5          3HZ       LYS   5 -24.096 -12.805  -4.955
   40   3HZ   LYS   5          2HZ       LYS   5 -23.568 -14.218  -5.719
   41    H    LYS   6           H        LYS   6 -22.598  -7.936  -1.449
   42    HA   LYS   6           HA       LYS   6 -24.047 -10.218  -0.357
   43   1HB   LYS   6          2HB       LYS   6 -23.570  -9.739   1.933
   44   2HB   LYS   6          1HB       LYS   6 -22.032  -9.865   1.092
   45   1HG   LYS   6          2HG       LYS   6 -21.825  -7.453   1.038
   46   2HG   LYS   6          1HG       LYS   6 -23.410  -7.278   1.791
   47   1HD   LYS   6          2HD       LYS   6 -21.617  -6.998   3.423
   48   2HD   LYS   6          1HD       LYS   6 -22.604  -8.415   3.786
   49   1HE   LYS   6          2HE       LYS   6 -20.017  -8.586   3.911
   50   2HE   LYS   6          1HE       LYS   6 -20.943  -9.894   3.179
   51   1HZ   LYS   6          1HZ       LYS   6 -19.881  -7.706   1.514
   52   2HZ   LYS   6          3HZ       LYS   6 -18.885  -8.999   1.962
   53   3HZ   LYS   6          2HZ       LYS   6 -20.290  -9.284   1.064
   54    H    VAL   7           H        VAL   7 -26.131  -9.760   0.061
   55    HA   VAL   7           HA       VAL   7 -27.237  -7.285  -0.731
   56    HB   VAL   7           HB       VAL   7 -29.347  -8.155  -0.227
   57   1HG1  VAL   7          2HG1      VAL   7 -27.477 -10.407  -0.919
   58   2HG1  VAL   7          1HG1      VAL   7 -29.234 -10.548  -0.986
   59   3HG1  VAL   7          3HG1      VAL   7 -28.402  -9.385  -2.018
   60   1HG2  VAL   7          2HG2      VAL   7 -27.920  -9.725   1.874
   61   2HG2  VAL   7          1HG2      VAL   7 -29.377  -8.740   2.001
   62   3HG2  VAL   7          3HG2      VAL   7 -29.448 -10.326   1.232
   63    H    TYR   8           H        TYR   8 -27.993  -5.546   0.407
   64    HA   TYR   8           HA       TYR   8 -26.965  -5.221   3.092
   65   1HB   TYR   8          2HB       TYR   8 -27.015  -3.432   1.247
   66   2HB   TYR   8          1HB       TYR   8 -28.724  -3.272   1.611
   67    HD1  TYR   8           HD2      TYR   8 -27.784  -3.898   4.752
   68    HD2  TYR   8           HD1      TYR   8 -26.992  -0.973   1.763
   69    HE1  TYR   8           HE2      TYR   8 -27.250  -2.268   6.499
   70    HE2  TYR   8           HE1      TYR   8 -26.451   0.666   3.511
   71    HH   TYR   8           HH       TYR   8 -27.056   0.046   6.867
   72    H    GLU   9           H        GLU   9 -28.594  -7.236   3.325
   73    HA   GLU   9           HA       GLU   9 -30.712  -8.015   3.938
   74   1HB   GLU   9          2HB       GLU   9 -30.095  -6.111   6.193
   75   2HB   GLU   9          1HB       GLU   9 -30.960  -7.639   6.285
   76   1HG   GLU   9          2HG       GLU   9 -28.745  -8.666   5.431
   77   2HG   GLU   9          1HG       GLU   9 -28.033  -7.143   5.963
   78    H    ASN  10           H        ASN  10 -32.276  -6.420   5.933
   79    HA   ASN  10           HA       ASN  10 -34.320  -5.527   4.271
   80   1HB   ASN  10          2HB       ASN  10 -35.235  -4.436   6.326
   81   2HB   ASN  10          1HB       ASN  10 -34.783  -6.124   6.551
   82   1HD2  ASN  10          2HD2      ASN  10 -32.758  -5.415   9.232
   83   2HD2  ASN  10          1HD2      ASN  10 -33.789  -6.505   8.377
   84    H    TYR  11           H        TYR  11 -32.487  -4.267   2.935
   85    HA   TYR  11           HA       TYR  11 -31.643  -1.735   3.701
   86   1HB   TYR  11          2HB       TYR  11 -30.965  -3.012   1.630
   87   2HB   TYR  11          1HB       TYR  11 -32.479  -2.496   0.901
   88    HD1  TYR  11           HD2      TYR  11 -29.583  -0.955   2.712
   89    HD2  TYR  11           HD1      TYR  11 -32.389  -0.652  -0.472
   90    HE1  TYR  11           HE2      TYR  11 -28.518   1.139   1.980
   91    HE2  TYR  11           HE1      TYR  11 -31.332   1.441  -1.213
   92    HH   TYR  11           HH       TYR  11 -29.182   2.591  -1.033
   93    HA   PRO  12           HA       PRO  12 -35.571   0.452   4.255
   94   1HB   PRO  12          2HB       PRO  12 -33.781   2.644   3.257
   95   2HB   PRO  12          1HB       PRO  12 -34.966   2.680   4.570
   96   1HG   PRO  12          2HG       PRO  12 -32.371   2.445   5.104
   97   2HG   PRO  12          1HG       PRO  12 -33.574   1.531   6.032
   98   1HD   PRO  12          2HD       PRO  12 -31.663   0.583   3.971
   99   2HD   PRO  12          1HD       PRO  12 -32.374  -0.294   5.340
  100    H    VAL  13           H        VAL  13 -36.554  -0.628   2.461
  101    HA   VAL  13           HA       VAL  13 -36.063  -0.234  -0.219
  102    HB   VAL  13           HB       VAL  13 -38.891  -0.451   0.732
  103   1HG1  VAL  13          1HG1      VAL  13 -37.304  -1.673  -1.520
  104   2HG1  VAL  13          3HG1      VAL  13 -38.975  -2.094  -1.143
  105   3HG1  VAL  13          2HG1      VAL  13 -38.571  -0.451  -1.644
  106   1HG2  VAL  13          1HG2      VAL  13 -36.750  -2.557   0.975
  107   2HG2  VAL  13          3HG2      VAL  13 -37.773  -1.903   2.255
  108   3HG2  VAL  13          2HG2      VAL  13 -38.477  -2.917   0.997
  109    H    SER  14           H        SER  14 -35.593   1.822  -0.817
  110    HA   SER  14           HA       SER  14 -37.700   3.515  -1.581
  111   1HB   SER  14          2HB       SER  14 -37.288   5.441  -0.118
  112   2HB   SER  14          1HB       SER  14 -37.786   4.040   0.829
  113    HG   SER  14           HG       SER  14 -36.048   4.767   1.895
  114    H    LYS  15           H        LYS  15 -37.025   4.687  -3.240
  115    HA   LYS  15           HA       LYS  15 -35.686   5.994  -4.565
  116   1HB   LYS  15          2HB       LYS  15 -33.267   5.223  -2.930
  117   2HB   LYS  15          1HB       LYS  15 -33.438   6.555  -4.055
  118   1HG   LYS  15          2HG       LYS  15 -35.328   7.314  -2.412
  119   2HG   LYS  15          1HG       LYS  15 -34.450   6.300  -1.268
  120   1HD   LYS  15          2HD       LYS  15 -32.459   7.586  -1.538
  121   2HD   LYS  15          1HD       LYS  15 -33.142   8.469  -2.905
  122   1HE   LYS  15          2HE       LYS  15 -34.530   9.738  -1.563
  123   2HE   LYS  15          1HE       LYS  15 -34.500   8.565  -0.247
  124   1HZ   LYS  15          1HZ       LYS  15 -31.931   9.721  -0.882
  125   2HZ   LYS  15          3HZ       LYS  15 -33.066  10.835  -0.301
  126   3HZ   LYS  15          2HZ       LYS  15 -32.665   9.475   0.621
  127    H    CYS  16           H        CYS  16 -33.132   3.714  -3.748
  128    HA   CYS  16           HA       CYS  16 -31.891   2.522  -5.335
  129   1HB   CYS  16          2HB       CYS  16 -34.099   1.214  -4.138
  130   2HB   CYS  16          1HB       CYS  16 -33.987   0.603  -5.783
  131    H    GLN  17           H        GLN  17 -31.526   3.550  -7.229
  132    HA   GLN  17           HA       GLN  17 -33.510   3.187  -9.379
  133   1HB   GLN  17          2HB       GLN  17 -31.665   5.495  -8.782
  134   2HB   GLN  17          1HB       GLN  17 -32.348   5.249 -10.383
  135   1HG   GLN  17          2HG       GLN  17 -34.610   5.165  -9.058
  136   2HG   GLN  17          1HG       GLN  17 -33.681   6.051  -7.850
  137   1HE2  GLN  17          2HE2      GLN  17 -34.748   8.921  -9.512
  138   2HE2  GLN  17          1HE2      GLN  17 -34.872   7.926  -8.106
  139    H    LEU  18           H        LEU  18 -31.851   1.149  -8.951
  140    HA   LEU  18           HA       LEU  18 -30.025  -0.045  -9.709
  141   1HB   LEU  18          2HB       LEU  18 -31.334   1.138 -12.132
  142   2HB   LEU  18          1HB       LEU  18 -30.037  -0.036 -12.264
  143    HG   LEU  18           HG       LEU  18 -32.509  -0.644 -10.671
  144   1HD1  LEU  18          2HD1      LEU  18 -32.148  -0.686 -13.638
  145   2HD1  LEU  18          1HD1      LEU  18 -33.182  -1.877 -12.849
  146   3HD1  LEU  18          3HD1      LEU  18 -33.534  -0.157 -12.684
  147   1HD2  LEU  18          1HD2      LEU  18 -30.436  -2.316 -12.085
  148   2HD2  LEU  18          3HD2      LEU  18 -30.662  -2.147 -10.344
  149   3HD2  LEU  18          2HD2      LEU  18 -31.886  -2.961 -11.318
  150    H    ALA  19           H        ALA  19 -28.285   1.036  -8.821
  151    HA   ALA  19           HA       ALA  19 -26.064   1.658  -9.318
  152   1HB   ALA  19          3HB       ALA  19 -26.707   1.869 -11.778
  153   2HB   ALA  19          2HB       ALA  19 -27.064   3.561 -11.414
  154   3HB   ALA  19          1HB       ALA  19 -25.437   2.932 -11.177
  155    H    ASN  20           H        ASN  20 -24.905   3.400  -8.508
  156    HA   ASN  20           HA       ASN  20 -24.520   5.394  -7.488
  157   1HB   ASN  20          2HB       ASN  20 -25.825   7.177  -7.949
  158   2HB   ASN  20          1HB       ASN  20 -26.721   6.069  -8.975
  159   1HD2  ASN  20          2HD2      ASN  20 -28.521   7.908  -5.973
  160   2HD2  ASN  20          1HD2      ASN  20 -26.971   8.322  -6.613
  161    H    GLN  21           H        GLN  21 -27.812   4.502  -6.388
  162    HA   GLN  21           HA       GLN  21 -27.461   5.076  -3.730
  163   1HB   GLN  21          2HB       GLN  21 -29.218   3.193  -5.221
  164   2HB   GLN  21          1HB       GLN  21 -29.132   2.999  -3.475
  165   1HG   GLN  21          2HG       GLN  21 -29.699   5.659  -4.732
  166   2HG   GLN  21          1HG       GLN  21 -30.975   4.480  -4.433
  167   1HE2  GLN  21          2HE2      GLN  21 -29.284   6.559  -1.377
  168   2HE2  GLN  21          1HE2      GLN  21 -28.605   6.574  -2.965
  169    H    CYS  22           H        CYS  22 -27.587   1.657  -4.687
  170    HA   CYS  22           HA       CYS  22 -26.198   0.716  -2.473
  171   1HB   CYS  22          2HB       CYS  22 -25.888  -0.758  -5.044
  172   2HB   CYS  22          1HB       CYS  22 -26.327  -1.359  -3.447
  173    H    ASN  23           H        ASN  23 -25.012   1.752  -5.619
  174    HA   ASN  23           HA       ASN  23 -22.362   0.929  -5.429
  175   1HB   ASN  23          2HB       ASN  23 -23.460   1.917  -7.454
  176   2HB   ASN  23          1HB       ASN  23 -23.338   3.498  -6.693
  177   1HD2  ASN  23          2HD2      ASN  23 -20.083   4.032  -7.683
  178   2HD2  ASN  23          1HD2      ASN  23 -21.554   4.636  -7.009
  179    H    TYR  24           H        TYR  24 -23.120   4.357  -5.196
  180    HA   TYR  24           HA       TYR  24 -20.916   5.134  -3.779
  181   1HB   TYR  24          2HB       TYR  24 -21.904   7.096  -4.231
  182   2HB   TYR  24          1HB       TYR  24 -23.432   6.286  -4.540
  183    HD1  TYR  24           HD1      TYR  24 -21.378   7.059  -1.532
  184    HD2  TYR  24           HD2      TYR  24 -25.201   7.197  -3.386
  185    HE1  TYR  24           HE1      TYR  24 -22.304   8.097   0.482
  186    HE2  TYR  24           HE2      TYR  24 -26.146   8.245  -1.371
  187    HH   TYR  24           HH       TYR  24 -25.733   8.578   0.899
  188    H    ASP  25           H        ASP  25 -24.045   4.121  -2.401
  189    HA   ASP  25           HA       ASP  25 -23.508   4.596   0.266
  190   1HB   ASP  25          2HB       ASP  25 -25.091   2.343  -0.982
  191   2HB   ASP  25          1HB       ASP  25 -25.114   2.727   0.738
  192    H    CYS  26           H        CYS  26 -23.179   1.368  -1.231
  193    HA   CYS  26           HA       CYS  26 -21.735   0.249   0.867
  194   1HB   CYS  26          2HB       CYS  26 -21.381  -0.458  -2.052
  195   2HB   CYS  26          1HB       CYS  26 -21.116  -1.505  -0.661
  196    H    LYS  27           H        LYS  27 -20.706   2.150  -1.887
  197    HA   LYS  27           HA       LYS  27 -17.937   1.792  -1.675
  198   1HB   LYS  27          2HB       LYS  27 -19.368   2.952  -3.514
  199   2HB   LYS  27          1HB       LYS  27 -19.153   4.395  -2.540
  200   1HG   LYS  27          2HG       LYS  27 -16.929   4.565  -3.027
  201   2HG   LYS  27          1HG       LYS  27 -16.736   2.829  -3.278
  202   1HD   LYS  27          2HD       LYS  27 -17.397   2.928  -5.458
  203   2HD   LYS  27          1HD       LYS  27 -18.506   4.270  -5.175
  204   1HE   LYS  27          2HE       LYS  27 -16.625   4.959  -6.568
  205   2HE   LYS  27          1HE       LYS  27 -16.617   5.809  -5.024
  206   1HZ   LYS  27          3HZ       LYS  27 -15.111   3.431  -4.816
  207   2HZ   LYS  27          2HZ       LYS  27 -14.563   4.323  -6.145
  208   3HZ   LYS  27          1HZ       LYS  27 -14.602   5.031  -4.609
  209    H    LEU  28           H        LEU  28 -19.810   2.797   0.745
  210    HA   LEU  28           HA       LEU  28 -17.628   4.132   2.080
  211   1HB   LEU  28          2HB       LEU  28 -18.757   5.945   0.781
  212   2HB   LEU  28          1HB       LEU  28 -20.218   5.628   1.697
  213    HG   LEU  28           HG       LEU  28 -18.947   6.195   3.782
  214   1HD1  LEU  28          1HD1      LEU  28 -16.825   6.712   1.750
  215   2HD1  LEU  28          3HD1      LEU  28 -16.896   7.698   3.211
  216   3HD1  LEU  28          2HD1      LEU  28 -16.703   5.949   3.334
  217   1HD2  LEU  28          1HD2      LEU  28 -20.428   7.776   2.508
  218   2HD2  LEU  28          3HD2      LEU  28 -19.192   8.541   3.507
  219   3HD2  LEU  28          2HD2      LEU  28 -18.968   8.427   1.762
  220    H    ASP  29           H        ASP  29 -20.956   3.004   2.102
  221    HA   ASP  29           HA       ASP  29 -21.293   3.128   4.930
  222   1HB   ASP  29          2HB       ASP  29 -22.748   1.470   2.855
  223   2HB   ASP  29          1HB       ASP  29 -23.258   1.669   4.529
  224    H    LYS  30           H        LYS  30 -20.782   0.399   2.707
  225    HA   LYS  30           HA       LYS  30 -19.783  -1.205   4.957
  226   1HB   LYS  30          2HB       LYS  30 -21.252  -1.804   2.478
  227   2HB   LYS  30          1HB       LYS  30 -19.952  -2.934   2.827
  228   1HG   LYS  30          2HG       LYS  30 -22.190  -3.589   3.708
  229   2HG   LYS  30          1HG       LYS  30 -20.907  -3.519   4.918
  230   1HD   LYS  30          2HD       LYS  30 -21.783  -1.649   5.933
  231   2HD   LYS  30          1HD       LYS  30 -22.595  -1.103   4.466
  232   1HE   LYS  30          2HE       LYS  30 -24.451  -2.339   4.883
  233   2HE   LYS  30          1HE       LYS  30 -23.534  -3.672   5.582
  234   1HZ   LYS  30          2HZ       LYS  30 -23.290  -1.486   7.295
  235   2HZ   LYS  30          1HZ       LYS  30 -24.929  -1.635   6.909
  236   3HZ   LYS  30          3HZ       LYS  30 -24.095  -2.946   7.576
  237    H    HIS  31           H        HIS  31 -18.353   0.935   3.364
  238    HA   HIS  31           HA       HIS  31 -16.405   1.230   2.158
  239   1HB   HIS  31          2HB       HIS  31 -14.530  -0.161   3.460
  240   2HB   HIS  31          1HB       HIS  31 -15.314   1.245   4.169
  241    HD1  HIS  31           HD1      HIS  31 -14.642  -2.258   4.785
  242    HD2  HIS  31           HD2      HIS  31 -17.529   0.488   5.960
  243    HE1  HIS  31           HE1      HIS  31 -15.741  -3.264   6.811
  244    HE2  HIS  31           HE2      HIS  31 -17.394  -1.524   7.578
  245    H    ALA  32           H        ALA  32 -17.923  -0.537   0.744
  246    HA   ALA  32           HA       ALA  32 -16.335  -2.880   0.111
  247   1HB   ALA  32          1HB       ALA  32 -18.937  -2.651   0.130
  248   2HB   ALA  32          3HB       ALA  32 -18.705  -2.014  -1.496
  249   3HB   ALA  32          2HB       ALA  32 -18.152  -3.640  -1.097
  250    H    ARG  33           H        ARG  33 -17.519  -2.296  -2.764
  251    HA   ARG  33           HA       ARG  33 -15.473  -0.407  -3.679
  252   1HB   ARG  33          2HB       ARG  33 -15.794  -3.256  -4.608
  253   2HB   ARG  33          1HB       ARG  33 -15.069  -2.031  -5.633
  254   1HG   ARG  33          2HG       ARG  33 -13.637  -1.693  -3.348
  255   2HG   ARG  33          1HG       ARG  33 -13.967  -3.423  -3.285
  256   1HD   ARG  33          2HD       ARG  33 -12.984  -3.736  -5.465
  257   2HD   ARG  33          1HD       ARG  33 -12.789  -1.996  -5.667
  258    HE   ARG  33           HE       ARG  33 -11.029  -2.035  -4.101
  259   1HH1  ARG  33          1HH2      ARG  33 -12.325  -5.205  -4.754
  260   2HH1  ARG  33          2HH2      ARG  33 -10.932  -6.036  -4.148
  261   1HH2  ARG  33          2HH1      ARG  33  -9.199  -3.122  -3.298
  262   2HH2  ARG  33          1HH1      ARG  33  -9.157  -4.853  -3.316
  263    H    SER  34           H        SER  34 -18.443  -2.157  -4.194
  264    HA   SER  34           HA       SER  34 -19.578  -0.004  -5.667
  265   1HB   SER  34          2HB       SER  34 -20.058  -1.554  -7.710
  266   2HB   SER  34          1HB       SER  34 -18.494  -0.748  -7.597
  267    HG   SER  34           HG       SER  34 -18.192  -2.926  -8.077
  268    H    GLY  35           H        GLY  35 -21.633  -1.356  -6.979
  269   1HA   GLY  35          2HA       GLY  35 -22.865  -3.428  -5.591
  270   2HA   GLY  35          1HA       GLY  35 -23.360  -1.934  -4.809
  271    H    GLU  36           H        GLU  36 -25.485  -2.908  -5.590
  272    HA   GLU  36           HA       GLU  36 -26.486  -1.334  -7.681
  273   1HB   GLU  36          2HB       GLU  36 -25.266  -3.811  -8.521
  274   2HB   GLU  36          1HB       GLU  36 -26.982  -3.840  -8.902
  275   1HG   GLU  36          2HG       GLU  36 -26.820  -1.968 -10.293
  276   2HG   GLU  36          1HG       GLU  36 -25.248  -1.510  -9.643
  277    H    CYS  37           H        CYS  37 -28.760  -1.614  -8.022
  278    HA   CYS  37           HA       CYS  37 -30.081  -2.760  -5.708
  279   1HB   CYS  37          2HB       CYS  37 -31.094  -1.127  -8.038
  280   2HB   CYS  37          1HB       CYS  37 -32.132  -1.730  -6.759
  281    H    PHE  38           H        PHE  38 -30.100  -4.961  -5.908
  282    HA   PHE  38           HA       PHE  38 -31.314  -6.094  -8.348
  283   1HB   PHE  38          2HB       PHE  38 -29.355  -7.182  -6.354
  284   2HB   PHE  38          1HB       PHE  38 -30.346  -8.282  -7.306
  285    HD1  PHE  38           HD1      PHE  38 -30.181  -8.227  -9.801
  286    HD2  PHE  38           HD2      PHE  38 -27.481  -6.106  -7.286
  287    HE1  PHE  38           HE1      PHE  38 -28.590  -8.038 -11.670
  288    HE2  PHE  38           HE2      PHE  38 -25.886  -5.916  -9.151
  289    HZ   PHE  38           HZ       PHE  38 -26.441  -6.882 -11.345
  290    H    TYR  39           H        TYR  39 -32.685  -8.018  -8.031
  291    HA   TYR  39           HA       TYR  39 -34.611  -7.522  -5.916
  292   1HB   TYR  39          2HB       TYR  39 -34.588  -9.127  -8.435
  293   2HB   TYR  39          1HB       TYR  39 -35.772  -9.500  -7.191
  294    HD1  TYR  39           HD1      TYR  39 -37.379  -7.712  -6.464
  295    HD2  TYR  39           HD2      TYR  39 -34.869  -7.273  -9.868
  296    HE1  TYR  39           HE1      TYR  39 -38.833  -5.908  -7.298
  297    HE2  TYR  39           HE2      TYR  39 -36.313  -5.470 -10.710
  298    HH   TYR  39           HH       TYR  39 -38.191  -3.735  -9.151
  299    H    ASP  40           H        ASP  40 -32.066  -9.705  -6.644
  300    HA   ASP  40           HA       ASP  40 -31.304 -11.621  -5.674
  301   1HB   ASP  40          2HB       ASP  40 -31.716 -11.504  -3.037
  302   2HB   ASP  40          1HB       ASP  40 -30.543 -10.474  -3.848
  303    H    GLU  41           H        GLU  41 -31.883 -13.483  -4.137
  304    HA   GLU  41           HA       GLU  41 -34.242 -14.680  -5.106
  305   1HB   GLU  41          2HB       GLU  41 -32.856 -15.664  -2.638
  306   2HB   GLU  41          1HB       GLU  41 -33.600 -16.589  -3.933
  307   1HG   GLU  41          2HG       GLU  41 -31.051 -15.009  -4.188
  308   2HG   GLU  41          1HG       GLU  41 -31.148 -16.747  -3.914
  309    H    LYS  42           H        LYS  42 -34.975 -12.227  -3.860
  310    HA   LYS  42           HA       LYS  42 -36.855 -13.279  -1.882
  311   1HB   LYS  42          2HB       LYS  42 -35.004 -10.947  -1.382
  312   2HB   LYS  42          1HB       LYS  42 -36.414 -11.310  -0.394
  313   1HG   LYS  42          2HG       LYS  42 -35.268 -13.673  -0.219
  314   2HG   LYS  42          1HG       LYS  42 -33.819 -12.742  -0.598
  315   1HD   LYS  42          2HD       LYS  42 -35.718 -12.276   1.699
  316   2HD   LYS  42          1HD       LYS  42 -34.076 -12.913   1.799
  317   1HE   LYS  42          2HE       LYS  42 -33.617 -10.585   0.496
  318   2HE   LYS  42          1HE       LYS  42 -35.017 -10.135   1.472
  319   1HZ   LYS  42          2HZ       LYS  42 -32.803 -11.561   2.761
  320   2HZ   LYS  42          1HZ       LYS  42 -32.604  -9.919   2.405
  321   3HZ   LYS  42          3HZ       LYS  42 -33.870 -10.420   3.409
  322    H    ARG  43           H        ARG  43 -36.334 -11.521  -4.616
  323    HA   ARG  43           HA       ARG  43 -37.440  -9.846  -5.704
  324   1HB   ARG  43          2HB       ARG  43 -39.323 -11.895  -4.812
  325   2HB   ARG  43          1HB       ARG  43 -40.119 -10.359  -5.109
  326   1HG   ARG  43          2HG       ARG  43 -38.745 -10.468  -7.364
  327   2HG   ARG  43          1HG       ARG  43 -38.766 -12.197  -7.011
  328   1HD   ARG  43          2HD       ARG  43 -40.683 -11.947  -8.262
  329   2HD   ARG  43          1HD       ARG  43 -41.309 -11.797  -6.620
  330    HE   ARG  43           HE       ARG  43 -40.582  -9.325  -7.967
  331   1HH1  ARG  43          1HH2      ARG  43 -43.093 -11.553  -7.052
  332   2HH1  ARG  43          2HH2      ARG  43 -44.368 -10.396  -7.239
  333   1HH2  ARG  43          2HH1      ARG  43 -42.248  -7.791  -8.211
  334   2HH2  ARG  43          1HH1      ARG  43 -43.887  -8.254  -7.897
  335    H    ASN  44           H        ASN  44 -36.436  -8.425  -3.961
  336    HA   ASN  44           HA       ASN  44 -38.595  -6.825  -2.785
  337   1HB   ASN  44          2HB       ASN  44 -36.498  -8.274  -1.321
  338   2HB   ASN  44          1HB       ASN  44 -36.618  -6.575  -0.876
  339   1HD2  ASN  44          2HD2      ASN  44 -39.523  -9.221   0.135
  340   2HD2  ASN  44          1HD2      ASN  44 -38.263  -9.640  -0.970
  341    H    LEU  45           H        LEU  45 -36.054  -6.895  -4.815
  342    HA   LEU  45           HA       LEU  45 -34.657  -5.318  -5.715
  343   1HB   LEU  45          2HB       LEU  45 -37.102  -4.410  -5.897
  344   2HB   LEU  45          1HB       LEU  45 -36.562  -3.238  -4.712
  345    HG   LEU  45           HG       LEU  45 -36.514  -2.496  -7.124
  346   1HD1  LEU  45          2HD1      LEU  45 -33.938  -2.410  -5.571
  347   2HD1  LEU  45          1HD1      LEU  45 -34.374  -1.339  -6.903
  348   3HD1  LEU  45          3HD1      LEU  45 -35.302  -1.306  -5.403
  349   1HD2  LEU  45          2HD2      LEU  45 -35.460  -4.801  -7.784
  350   2HD2  LEU  45          1HD2      LEU  45 -35.025  -3.332  -8.654
  351   3HD2  LEU  45          3HD2      LEU  45 -33.943  -3.976  -7.418
  352    H    GLN  46           H        GLN  46 -33.360  -6.011  -3.691
  353    HA   GLN  46           HA       GLN  46 -32.986  -3.815  -1.804
  354   1HB   GLN  46          2HB       GLN  46 -31.813  -6.598  -1.871
  355   2HB   GLN  46          1HB       GLN  46 -31.496  -5.406  -0.618
  356   1HG   GLN  46          2HG       GLN  46 -33.677  -5.507   0.199
  357   2HG   GLN  46          1HG       GLN  46 -34.285  -6.278  -1.265
  358   1HE2  GLN  46          2HE2      GLN  46 -31.867  -8.929   0.504
  359   2HE2  GLN  46          1HE2      GLN  46 -31.307  -7.497  -0.287
  360    H    CYS  47           H        CYS  47 -30.655  -3.384  -1.162
  361    HA   CYS  47           HA       CYS  47 -29.156  -2.808  -3.605
  362   1HB   CYS  47          2HB       CYS  47 -29.479  -1.512  -0.992
  363   2HB   CYS  47          1HB       CYS  47 -27.817  -1.517  -1.574
  364    H    ILE  48           H        ILE  48 -27.634  -4.169  -4.191
  365    HA   ILE  48           HA       ILE  48 -26.342  -5.891  -2.238
  366    HB   ILE  48           HB       ILE  48 -26.455  -5.879  -5.233
  367   1HG1  ILE  48          2HG1      ILE  48 -26.971  -8.011  -3.147
  368   2HG1  ILE  48          1HG1      ILE  48 -28.209  -7.023  -3.915
  369   1HG2  ILE  48          2HG2      ILE  48 -24.334  -7.063  -3.515
  370   2HG2  ILE  48          1HG2      ILE  48 -24.897  -7.985  -4.908
  371   3HG2  ILE  48          3HG2      ILE  48 -24.222  -6.372  -5.133
  372   1HD1  ILE  48          2HD1      ILE  48 -27.129  -8.032  -6.107
  373   2HD1  ILE  48          1HD1      ILE  48 -26.665  -9.311  -4.985
  374   3HD1  ILE  48          3HD1      ILE  48 -28.365  -8.890  -5.189
  375    H    CYS  49           H        CYS  49 -24.320  -5.676  -1.533
  376    HA   CYS  49           HA       CYS  49 -22.724  -3.421  -2.537
  377   1HB   CYS  49          2HB       CYS  49 -22.611  -4.986   0.046
  378   2HB   CYS  49          1HB       CYS  49 -21.430  -3.761  -0.407
  379    H    ASP  50           H        ASP  50 -21.262  -3.942  -4.024
  380    HA   ASP  50           HA       ASP  50 -20.079  -6.617  -4.050
  381   1HB   ASP  50          2HB       ASP  50 -21.029  -5.389  -6.125
  382   2HB   ASP  50          1HB       ASP  50 -19.533  -4.463  -6.078
  383    H    TYR  51           H        TYR  51 -17.823  -6.958  -4.137
  384    HA   TYR  51           HA       TYR  51 -16.214  -4.756  -3.007
  385   1HB   TYR  51          2HB       TYR  51 -16.275  -7.673  -2.299
  386   2HB   TYR  51          1HB       TYR  51 -14.954  -6.612  -1.819
  387    HD1  TYR  51           HD1      TYR  51 -18.648  -7.012  -1.574
  388    HD2  TYR  51           HD2      TYR  51 -15.130  -5.347   0.144
  389    HE1  TYR  51           HE1      TYR  51 -19.946  -6.314   0.392
  390    HE2  TYR  51           HE2      TYR  51 -16.420  -4.645   2.118
  391    HH   TYR  51           HH       TYR  51 -18.693  -4.177   2.762
  392    H    CYS  52           H        CYS  52 -16.312  -7.478  -5.233
  393    HA   CYS  52           HA       CYS  52 -13.505  -7.080  -5.943
  394   1HB   CYS  52          2HB       CYS  52 -15.552  -9.159  -6.677
  395   2HB   CYS  52          1HB       CYS  52 -14.061  -8.996  -7.591
  396    H    GLU  53           H        GLU  53 -15.577  -8.136  -8.451
  397    HA   GLU  53           HA       GLU  53 -14.771  -6.632 -10.474
  398   1HB   GLU  53          2HB       GLU  53 -16.475  -8.208 -10.911
  399   2HB   GLU  53          1HB       GLU  53 -17.600  -7.417  -9.814
  400   1HG   GLU  53          2HG       GLU  53 -18.121  -5.764 -11.317
  401   2HG   GLU  53          1HG       GLU  53 -16.595  -5.924 -12.185
  402    H    TYR  54           HN       TYR  54 -14.295  -4.555 -10.619
  403    HA   TYR  54           HA       TYR  54 -15.129  -2.494  -9.014
  404   1HB   TYR  54          2HB       TYR  54 -14.067  -2.593 -11.811
  405   2HB   TYR  54          1HB       TYR  54 -14.617  -1.054 -11.157
  406    HD1  TYR  54           HD1      TYR  54 -13.575  -0.235  -8.988
  407    HD2  TYR  54           HD2      TYR  54 -11.944  -3.433 -11.271
  408    HE1  TYR  54           HE1      TYR  54 -11.423   0.053  -7.842
  409    HE2  TYR  54           HE2      TYR  54  -9.784  -3.151 -10.132
  410    HH   TYR  54           HH       TYR  54  -9.042  -0.439  -8.229
   
  No H/Q in entry =         410
  Start of MODEL   34
    1    HN   PCA   1           HN       PCA   1 -16.859 -19.270  -2.301
    2    HA   PCA   1           HA       PCA   1 -17.691 -17.668  -0.472
    3   1HB   PCA   1          1HB       PCA   1 -16.933 -18.064   1.624
    4   2HB   PCA   1          2HB       PCA   1 -15.243 -17.879   1.099
    5   1HG   PCA   1          1HG       PCA   1 -16.785 -20.330   1.509
    6   2HG   PCA   1          2HG       PCA   1 -15.053 -20.155   1.170
    7    H    ASP   2           H        ASP   2 -15.808 -15.893   0.558
    8    HA   ASP   2           HA       ASP   2 -14.420 -14.179   0.004
    9   1HB   ASP   2          2HB       ASP   2 -12.982 -16.135  -0.851
   10   2HB   ASP   2          1HB       ASP   2 -13.561 -15.697  -2.454
   11    H    LYS   3           H        LYS   3 -15.045 -15.308  -3.297
   12    HA   LYS   3           HA       LYS   3 -15.712 -14.021  -5.104
   13   1HB   LYS   3          2HB       LYS   3 -17.729 -15.211  -3.896
   14   2HB   LYS   3          1HB       LYS   3 -18.221 -13.558  -3.551
   15   1HG   LYS   3          2HG       LYS   3 -19.298 -13.757  -5.525
   16   2HG   LYS   3          1HG       LYS   3 -17.717 -13.343  -6.187
   17   1HD   LYS   3          2HD       LYS   3 -17.207 -15.717  -6.473
   18   2HD   LYS   3          1HD       LYS   3 -18.774 -16.142  -5.784
   19   1HE   LYS   3          2HE       LYS   3 -19.693 -14.599  -7.689
   20   2HE   LYS   3          1HE       LYS   3 -18.128 -14.924  -8.432
   21   1HZ   LYS   3          1HZ       LYS   3 -20.091 -16.982  -7.573
   22   2HZ   LYS   3          3HZ       LYS   3 -19.803 -16.499  -9.170
   23   3HZ   LYS   3          2HZ       LYS   3 -18.593 -17.291  -8.293
   24    H    CYS   4           H        CYS   4 -17.733 -11.968  -5.089
   25    HA   CYS   4           HA       CYS   4 -16.563  -9.800  -3.552
   26   1HB   CYS   4          2HB       CYS   4 -16.548  -9.863  -6.571
   27   2HB   CYS   4          1HB       CYS   4 -16.285  -8.400  -5.624
   28    H    LYS   5           H        LYS   5 -19.044 -10.868  -3.204
   29    HA   LYS   5           HA       LYS   5 -20.743  -8.617  -3.944
   30   1HB   LYS   5          2HB       LYS   5 -21.313 -10.074  -5.708
   31   2HB   LYS   5          1HB       LYS   5 -21.301 -11.487  -4.665
   32   1HG   LYS   5          2HG       LYS   5 -23.279  -9.262  -4.297
   33   2HG   LYS   5          1HG       LYS   5 -23.556 -10.568  -5.443
   34   1HD   LYS   5          2HD       LYS   5 -22.894 -11.967  -3.190
   35   2HD   LYS   5          1HD       LYS   5 -23.709 -10.565  -2.499
   36   1HE   LYS   5          2HE       LYS   5 -25.662 -10.988  -3.867
   37   2HE   LYS   5          1HE       LYS   5 -24.846 -12.332  -4.662
   38   1HZ   LYS   5          3HZ       LYS   5 -24.707 -12.831  -1.943
   39   2HZ   LYS   5          2HZ       LYS   5 -26.292 -12.321  -2.233
   40   3HZ   LYS   5          1HZ       LYS   5 -25.659 -13.636  -3.087
   41    H    LYS   6           H        LYS   6 -22.007  -7.991  -2.295
   42    HA   LYS   6           HA       LYS   6 -22.819  -9.900  -0.259
   43   1HB   LYS   6          2HB       LYS   6 -20.492  -8.755   0.263
   44   2HB   LYS   6          1HB       LYS   6 -21.512  -7.412   0.761
   45   1HG   LYS   6          2HG       LYS   6 -22.711  -8.970   2.285
   46   2HG   LYS   6          1HG       LYS   6 -21.532 -10.212   1.862
   47   1HD   LYS   6          2HD       LYS   6 -20.538  -7.570   2.816
   48   2HD   LYS   6          1HD       LYS   6 -21.218  -8.693   3.995
   49   1HE   LYS   6          2HE       LYS   6 -18.856  -9.051   3.902
   50   2HE   LYS   6          1HE       LYS   6 -19.650 -10.431   3.145
   51   1HZ   LYS   6          3HZ       LYS   6 -18.788  -8.191   1.457
   52   2HZ   LYS   6          2HZ       LYS   6 -17.622  -9.280   2.015
   53   3HZ   LYS   6          1HZ       LYS   6 -18.916  -9.836   1.079
   54    H    VAL   7           H        VAL   7 -24.930  -9.560  -0.076
   55    HA   VAL   7           HA       VAL   7 -26.225  -7.197  -0.889
   56    HB   VAL   7           HB       VAL   7 -28.218  -8.226  -0.439
   57   1HG1  VAL   7          3HG1      VAL   7 -26.854  -9.685  -1.868
   58   2HG1  VAL   7          2HG1      VAL   7 -26.331 -10.577  -0.438
   59   3HG1  VAL   7          1HG1      VAL   7 -28.029 -10.592  -0.916
   60   1HG2  VAL   7          2HG2      VAL   7 -26.871  -9.403   1.969
   61   2HG2  VAL   7          1HG2      VAL   7 -28.298  -8.367   1.883
   62   3HG2  VAL   7          3HG2      VAL   7 -28.397 -10.051   1.369
   63    H    TYR   8           H        TYR   8 -26.744  -5.366   0.145
   64    HA   TYR   8           HA       TYR   8 -25.625  -4.854   2.718
   65   1HB   TYR   8          2HB       TYR   8 -25.890  -3.170   0.861
   66   2HB   TYR   8          1HB       TYR   8 -27.608  -3.150   1.206
   67    HD1  TYR   8           HD1      TYR   8 -26.424  -3.509   4.383
   68    HD2  TYR   8           HD2      TYR   8 -26.322  -0.654   1.223
   69    HE1  TYR   8           HE1      TYR   8 -26.059  -1.724   6.014
   70    HE2  TYR   8           HE2      TYR   8 -25.948   1.140   2.858
   71    HH   TYR   8           HH       TYR   8 -25.046   1.375   5.162
   72    H    GLU   9           H        GLU   9 -26.904  -6.819   3.526
   73    HA   GLU   9           HA       GLU   9 -28.775  -7.750   4.535
   74   1HB   GLU   9          2HB       GLU   9 -28.654  -5.288   6.232
   75   2HB   GLU   9          1HB       GLU   9 -28.865  -6.963   6.721
   76   1HG   GLU   9          2HG       GLU   9 -26.452  -7.244   5.781
   77   2HG   GLU   9          1HG       GLU   9 -26.375  -5.496   6.005
   78    H    ASN  10           H        ASN  10 -30.671  -6.352   6.147
   79    HA   ASN  10           HA       ASN  10 -32.799  -6.110   4.365
   80   1HB   ASN  10          2HB       ASN  10 -32.649  -6.426   7.001
   81   2HB   ASN  10          1HB       ASN  10 -32.948  -4.691   6.981
   82   1HD2  ASN  10          2HD2      ASN  10 -36.084  -5.363   5.077
   83   2HD2  ASN  10          1HD2      ASN  10 -34.580  -4.605   4.691
   84    H    TYR  11           H        TYR  11 -30.972  -4.443   3.177
   85    HA   TYR  11           HA       TYR  11 -31.023  -1.746   3.783
   86   1HB   TYR  11          2HB       TYR  11 -29.645  -2.677   1.991
   87   2HB   TYR  11          1HB       TYR  11 -31.078  -3.034   1.041
   88    HD1  TYR  11           HD2      TYR  11 -32.322  -1.216  -0.045
   89    HD2  TYR  11           HD1      TYR  11 -28.751  -0.453   2.135
   90    HE1  TYR  11           HE2      TYR  11 -32.165   1.006  -1.088
   91    HE2  TYR  11           HE1      TYR  11 -28.582   1.769   1.097
   92    HH   TYR  11           HH       TYR  11 -29.402   2.876  -1.029
   93    HA   PRO  12           HA       PRO  12 -35.276  -0.395   3.384
   94   1HB   PRO  12          2HB       PRO  12 -34.176   1.799   1.679
   95   2HB   PRO  12          1HB       PRO  12 -35.283   1.891   3.053
   96   1HG   PRO  12          2HG       PRO  12 -32.721   2.558   3.318
   97   2HG   PRO  12          1HG       PRO  12 -33.580   1.694   4.607
   98   1HD   PRO  12          2HD       PRO  12 -31.553   0.692   2.679
   99   2HD   PRO  12          1HD       PRO  12 -31.877   0.192   4.350
  100    H    VAL  13           H        VAL  13 -35.866   1.294   0.931
  101    HA   VAL  13           HA       VAL  13 -35.441  -0.165  -1.412
  102    HB   VAL  13           HB       VAL  13 -36.984  -1.740   0.065
  103   1HG1  VAL  13          3HG1      VAL  13 -38.695   0.120   0.290
  104   2HG1  VAL  13          2HG1      VAL  13 -39.098  -0.195  -1.398
  105   3HG1  VAL  13          1HG1      VAL  13 -39.296  -1.467  -0.193
  106   1HG2  VAL  13          1HG2      VAL  13 -37.224  -1.215  -2.884
  107   2HG2  VAL  13          3HG2      VAL  13 -36.244  -2.431  -2.064
  108   3HG2  VAL  13          2HG2      VAL  13 -38.001  -2.582  -2.089
  109    H    SER  14           H        SER  14 -37.176   2.164   0.408
  110    HA   SER  14           HA       SER  14 -38.897   3.174  -1.575
  111   1HB   SER  14          2HB       SER  14 -39.237   5.018  -0.140
  112   2HB   SER  14          1HB       SER  14 -38.887   3.670   0.942
  113    HG   SER  14           HG       SER  14 -36.582   4.798   0.277
  114    H    LYS  15           H        LYS  15 -35.929   2.745  -2.278
  115    HA   LYS  15           HA       LYS  15 -35.734   4.847  -4.139
  116   1HB   LYS  15          2HB       LYS  15 -35.067   5.829  -1.756
  117   2HB   LYS  15          1HB       LYS  15 -33.514   5.120  -2.172
  118   1HG   LYS  15          2HG       LYS  15 -33.755   6.390  -4.389
  119   2HG   LYS  15          1HG       LYS  15 -35.011   7.311  -3.557
  120   1HD   LYS  15          2HD       LYS  15 -33.360   7.842  -1.775
  121   2HD   LYS  15          1HD       LYS  15 -32.120   7.034  -2.740
  122   1HE   LYS  15          2HE       LYS  15 -33.232   9.711  -3.014
  123   2HE   LYS  15          1HE       LYS  15 -31.761   9.028  -3.708
  124   1HZ   LYS  15          3HZ       LYS  15 -33.411   7.866  -5.301
  125   2HZ   LYS  15          2HZ       LYS  15 -34.484   9.082  -4.819
  126   3HZ   LYS  15          1HZ       LYS  15 -33.019   9.493  -5.556
  127    H    CYS  16           H        CYS  16 -35.096   3.528  -5.713
  128    HA   CYS  16           HA       CYS  16 -32.453   2.718  -6.002
  129   1HB   CYS  16          2HB       CYS  16 -33.980   0.890  -4.410
  130   2HB   CYS  16          1HB       CYS  16 -33.606   0.102  -5.940
  131    H    GLN  17           H        GLN  17 -32.340   3.118  -8.081
  132    HA   GLN  17           HA       GLN  17 -34.334   1.885  -9.865
  133   1HB   GLN  17          2HB       GLN  17 -33.120   4.645 -10.085
  134   2HB   GLN  17          1HB       GLN  17 -34.091   3.883 -11.339
  135   1HG   GLN  17          2HG       GLN  17 -35.276   4.046  -8.630
  136   2HG   GLN  17          1HG       GLN  17 -35.118   5.551  -9.533
  137   1HE2  GLN  17          2HE2      GLN  17 -37.718   2.655 -10.763
  138   2HE2  GLN  17          1HE2      GLN  17 -36.429   2.283  -9.676
  139    H    LEU  18           H        LEU  18 -31.103   3.426  -9.832
  140    HA   LEU  18           HA       LEU  18 -29.753   1.230 -10.870
  141   1HB   LEU  18          2HB       LEU  18 -31.142   2.847 -12.846
  142   2HB   LEU  18          1HB       LEU  18 -29.419   2.770 -13.174
  143    HG   LEU  18           HG       LEU  18 -30.864   0.241 -12.579
  144   1HD1  LEU  18          3HD1      LEU  18 -32.296   1.362 -14.216
  145   2HD1  LEU  18          2HD1      LEU  18 -30.900   1.612 -15.265
  146   3HD1  LEU  18          1HD1      LEU  18 -31.468  -0.023 -14.928
  147   1HD2  LEU  18          1HD2      LEU  18 -28.555   0.998 -14.358
  148   2HD2  LEU  18          3HD2      LEU  18 -28.471   0.160 -12.810
  149   3HD2  LEU  18          2HD2      LEU  18 -29.213  -0.631 -14.200
  150    H    ALA  19           H        ALA  19 -28.260   1.916  -9.307
  151    HA   ALA  19           HA       ALA  19 -26.081   2.719  -9.054
  152   1HB   ALA  19          2HB       ALA  19 -26.301   3.575 -11.475
  153   2HB   ALA  19          1HB       ALA  19 -26.665   5.127 -10.719
  154   3HB   ALA  19          3HB       ALA  19 -25.126   4.329 -10.400
  155    H    ASN  20           H        ASN  20 -25.095   4.816  -8.184
  156    HA   ASN  20           HA       ASN  20 -25.050   6.474  -6.651
  157   1HB   ASN  20          2HB       ASN  20 -27.142   7.207  -8.090
  158   2HB   ASN  20          1HB       ASN  20 -28.018   6.788  -6.621
  159   1HD2  ASN  20          2HD2      ASN  20 -26.021   9.269  -4.746
  160   2HD2  ASN  20          1HD2      ASN  20 -26.216   7.553  -4.700
  161    H    GLN  21           H        GLN  21 -28.260   5.220  -5.831
  162    HA   GLN  21           HA       GLN  21 -28.103   5.212  -3.157
  163   1HB   GLN  21          2HB       GLN  21 -29.430   3.316  -5.047
  164   2HB   GLN  21          1HB       GLN  21 -29.484   2.975  -3.323
  165   1HG   GLN  21          2HG       GLN  21 -31.456   4.198  -4.160
  166   2HG   GLN  21          1HG       GLN  21 -30.593   5.043  -2.879
  167   1HE2  GLN  21          2HE2      GLN  21 -29.473   7.673  -4.969
  168   2HE2  GLN  21          1HE2      GLN  21 -29.062   6.723  -3.586
  169    H    CYS  22           H        CYS  22 -27.788   1.972  -4.521
  170    HA   CYS  22           HA       CYS  22 -26.291   0.975  -2.393
  171   1HB   CYS  22          2HB       CYS  22 -25.974  -0.244  -5.103
  172   2HB   CYS  22          1HB       CYS  22 -26.229  -1.024  -3.544
  173    H    ASN  23           H        ASN  23 -25.209   2.290  -5.494
  174    HA   ASN  23           HA       ASN  23 -22.540   1.590  -5.417
  175   1HB   ASN  23          2HB       ASN  23 -23.842   2.816  -7.255
  176   2HB   ASN  23          1HB       ASN  23 -23.463   4.293  -6.374
  177   1HD2  ASN  23          2HD2      ASN  23 -20.451   4.610  -7.995
  178   2HD2  ASN  23          1HD2      ASN  23 -21.878   5.321  -7.329
  179    H    TYR  24           H        TYR  24 -23.653   4.871  -4.545
  180    HA   TYR  24           HA       TYR  24 -21.335   5.679  -3.292
  181   1HB   TYR  24          2HB       TYR  24 -22.627   7.529  -3.426
  182   2HB   TYR  24          1HB       TYR  24 -24.114   6.597  -3.373
  183    HD1  TYR  24           HD1      TYR  24 -21.389   7.016  -0.855
  184    HD2  TYR  24           HD2      TYR  24 -25.497   7.588  -1.807
  185    HE1  TYR  24           HE1      TYR  24 -21.801   7.818   1.430
  186    HE2  TYR  24           HE2      TYR  24 -25.919   8.394   0.478
  187    HH   TYR  24           HH       TYR  24 -23.674   8.025   2.999
  188    H    ASP  25           H        ASP  25 -24.226   4.330  -1.680
  189    HA   ASP  25           HA       ASP  25 -23.301   4.330   0.909
  190   1HB   ASP  25          2HB       ASP  25 -25.204   2.582  -0.589
  191   2HB   ASP  25          1HB       ASP  25 -24.721   2.091   1.032
  192    H    CYS  26           H        CYS  26 -23.060   1.520  -1.294
  193    HA   CYS  26           HA       CYS  26 -21.435   0.010   0.377
  194   1HB   CYS  26          2HB       CYS  26 -21.298   0.035  -2.647
  195   2HB   CYS  26          1HB       CYS  26 -20.825  -1.280  -1.578
  196    H    LYS  27           H        LYS  27 -20.670   2.640  -1.785
  197    HA   LYS  27           HA       LYS  27 -17.896   2.344  -1.938
  198   1HB   LYS  27          2HB       LYS  27 -19.577   4.023  -3.103
  199   2HB   LYS  27          1HB       LYS  27 -19.094   5.076  -1.780
  200   1HG   LYS  27          2HG       LYS  27 -17.417   5.696  -3.135
  201   2HG   LYS  27          1HG       LYS  27 -16.676   4.164  -2.671
  202   1HD   LYS  27          2HD       LYS  27 -16.565   4.032  -4.965
  203   2HD   LYS  27          1HD       LYS  27 -18.105   3.224  -4.660
  204   1HE   LYS  27          2HE       LYS  27 -19.250   5.399  -5.063
  205   2HE   LYS  27          1HE       LYS  27 -17.690   6.086  -5.515
  206   1HZ   LYS  27          1HZ       LYS  27 -18.834   3.710  -6.863
  207   2HZ   LYS  27          3HZ       LYS  27 -19.140   5.290  -7.390
  208   3HZ   LYS  27          2HZ       LYS  27 -17.558   4.690  -7.385
  209    H    LEU  28           H        LEU  28 -19.627   2.619   0.840
  210    HA   LEU  28           HA       LEU  28 -17.303   3.308   2.373
  211   1HB   LEU  28          2HB       LEU  28 -18.487   5.495   1.515
  212   2HB   LEU  28          1HB       LEU  28 -19.592   5.170   2.835
  213    HG   LEU  28           HG       LEU  28 -18.032   6.667   3.727
  214   1HD1  LEU  28          3HD1      LEU  28 -18.441   4.593   5.082
  215   2HD1  LEU  28          2HD1      LEU  28 -16.877   4.007   4.514
  216   3HD1  LEU  28          1HD1      LEU  28 -16.971   5.482   5.476
  217   1HD2  LEU  28          1HD2      LEU  28 -16.415   6.442   1.847
  218   2HD2  LEU  28          3HD2      LEU  28 -15.659   6.557   3.437
  219   3HD2  LEU  28          2HD2      LEU  28 -15.781   4.993   2.628
  220    H    ASP  29           H        ASP  29 -20.795   2.782   2.337
  221    HA   ASP  29           HA       ASP  29 -21.082   2.283   5.100
  222   1HB   ASP  29          2HB       ASP  29 -22.775   1.173   2.852
  223   2HB   ASP  29          1HB       ASP  29 -23.252   1.360   4.538
  224    H    LYS  30           H        LYS  30 -19.680   0.441   2.606
  225    HA   LYS  30           HA       LYS  30 -19.365  -1.819   4.436
  226   1HB   LYS  30          2HB       LYS  30 -20.621  -1.922   1.720
  227   2HB   LYS  30          1HB       LYS  30 -19.686  -3.298   2.293
  228   1HG   LYS  30          2HG       LYS  30 -21.840  -2.138   4.005
  229   2HG   LYS  30          1HG       LYS  30 -22.246  -3.231   2.680
  230   1HD   LYS  30          2HD       LYS  30 -20.638  -4.879   3.647
  231   2HD   LYS  30          1HD       LYS  30 -20.445  -3.801   5.031
  232   1HE   LYS  30          2HE       LYS  30 -22.838  -3.982   5.503
  233   2HE   LYS  30          1HE       LYS  30 -23.034  -5.054   4.118
  234   1HZ   LYS  30          2HZ       LYS  30 -21.465  -6.597   5.210
  235   2HZ   LYS  30          1HZ       LYS  30 -21.454  -5.594   6.573
  236   3HZ   LYS  30          3HZ       LYS  30 -22.886  -6.361   6.096
  237    H    HIS  31           H        HIS  31 -17.914   0.455   2.715
  238    HA   HIS  31           HA       HIS  31 -15.874   0.751   1.744
  239   1HB   HIS  31          2HB       HIS  31 -14.715  -1.650   3.039
  240   2HB   HIS  31          1HB       HIS  31 -14.168   0.024   3.071
  241    HD1  HIS  31           HD1      HIS  31 -15.638  -2.484   5.170
  242    HD2  HIS  31           HD2      HIS  31 -15.913   1.652   4.878
  243    HE1  HIS  31           HE1      HIS  31 -16.586  -1.717   7.368
  244    HE2  HIS  31           HE2      HIS  31 -16.811   0.781   7.143
  245    H    ALA  32           H        ALA  32 -17.712  -0.789   0.227
  246    HA   ALA  32           HA       ALA  32 -16.209  -2.980  -0.935
  247   1HB   ALA  32          1HB       ALA  32 -18.812  -2.751  -0.560
  248   2HB   ALA  32          3HB       ALA  32 -18.739  -2.004  -2.155
  249   3HB   ALA  32          2HB       ALA  32 -18.156  -3.652  -1.927
  250    H    ARG  33           H        ARG  33 -16.824  -2.881  -3.574
  251    HA   ARG  33           HA       ARG  33 -15.144  -0.665  -4.501
  252   1HB   ARG  33          2HB       ARG  33 -14.426  -2.919  -5.109
  253   2HB   ARG  33          1HB       ARG  33 -15.988  -3.237  -5.851
  254   1HG   ARG  33          2HG       ARG  33 -14.391  -2.772  -7.571
  255   2HG   ARG  33          1HG       ARG  33 -15.534  -1.430  -7.481
  256   1HD   ARG  33          2HD       ARG  33 -12.933  -1.362  -5.992
  257   2HD   ARG  33          1HD       ARG  33 -13.022  -0.899  -7.691
  258    HE   ARG  33           HE       ARG  33 -14.953   0.607  -6.629
  259   1HH1  ARG  33          1HH2      ARG  33 -11.677   0.018  -5.608
  260   2HH1  ARG  33          2HH2      ARG  33 -11.492   1.571  -4.863
  261   1HH2  ARG  33          2HH1      ARG  33 -14.725   2.651  -5.649
  262   2HH2  ARG  33          1HH1      ARG  33 -13.229   3.067  -4.881
  263    H    SER  34           H        SER  34 -18.364  -1.817  -4.545
  264    HA   SER  34           HA       SER  34 -19.547   0.460  -5.517
  265   1HB   SER  34          2HB       SER  34 -20.215  -0.498  -7.863
  266   2HB   SER  34          1HB       SER  34 -18.666   0.318  -7.671
  267    HG   SER  34           HG       SER  34 -18.495  -2.332  -7.101
  268    H    GLY  35           H        GLY  35 -21.714  -0.560  -6.993
  269   1HA   GLY  35          2HA       GLY  35 -22.780  -2.958  -5.989
  270   2HA   GLY  35          1HA       GLY  35 -23.305  -1.642  -4.951
  271    H    GLU  36           H        GLU  36 -25.370  -2.684  -5.884
  272    HA   GLU  36           HA       GLU  36 -26.594  -0.814  -7.585
  273   1HB   GLU  36          2HB       GLU  36 -25.233  -2.018  -9.299
  274   2HB   GLU  36          1HB       GLU  36 -26.084  -3.495  -8.880
  275   1HG   GLU  36          2HG       GLU  36 -26.900  -2.320 -10.931
  276   2HG   GLU  36          1HG       GLU  36 -28.130  -2.667  -9.717
  277    H    CYS  37           H        CYS  37 -28.853  -1.325  -7.989
  278    HA   CYS  37           HA       CYS  37 -29.938  -2.928  -5.830
  279   1HB   CYS  37          2HB       CYS  37 -31.570  -1.424  -7.852
  280   2HB   CYS  37          1HB       CYS  37 -31.962  -1.801  -6.181
  281    H    PHE  38           H        PHE  38 -30.860  -4.872  -6.022
  282    HA   PHE  38           HA       PHE  38 -31.888  -5.784  -8.585
  283   1HB   PHE  38          2HB       PHE  38 -29.664  -7.235  -7.134
  284   2HB   PHE  38          1HB       PHE  38 -30.606  -7.923  -8.449
  285    HD1  PHE  38           HD1      PHE  38 -30.739  -6.092 -10.528
  286    HD2  PHE  38           HD2      PHE  38 -27.555  -6.618  -7.752
  287    HE1  PHE  38           HE1      PHE  38 -29.159  -5.155 -12.166
  288    HE2  PHE  38           HE2      PHE  38 -25.970  -5.690  -9.386
  289    HZ   PHE  38           HZ       PHE  38 -26.773  -4.952 -11.595
  290    H    TYR  39           H        TYR  39 -32.964  -7.949  -8.358
  291    HA   TYR  39           HA       TYR  39 -34.565  -7.944  -5.955
  292   1HB   TYR  39          2HB       TYR  39 -34.653  -9.769  -8.369
  293   2HB   TYR  39          1HB       TYR  39 -35.846  -9.734  -7.077
  294    HD1  TYR  39           HD2      TYR  39 -34.211  -7.280  -9.395
  295    HD2  TYR  39           HD1      TYR  39 -37.809  -8.634  -7.561
  296    HE1  TYR  39           HE2      TYR  39 -35.474  -5.561 -10.614
  297    HE2  TYR  39           HE1      TYR  39 -39.079  -6.921  -8.786
  298    HH   TYR  39           HH       TYR  39 -38.289  -5.507 -11.328
  299    H    ASP  40           H        ASP  40 -35.047 -10.094  -4.873
  300    HA   ASP  40           HA       ASP  40 -32.596 -11.722  -4.655
  301   1HB   ASP  40          2HB       ASP  40 -33.504 -12.005  -2.179
  302   2HB   ASP  40          1HB       ASP  40 -32.484 -10.640  -2.625
  303    H    GLU  41           H        GLU  41 -33.407 -13.215  -6.044
  304    HA   GLU  41           HA       GLU  41 -34.958 -14.765  -6.840
  305   1HB   GLU  41          2HB       GLU  41 -33.783 -15.823  -4.276
  306   2HB   GLU  41          1HB       GLU  41 -34.625 -16.831  -5.445
  307   1HG   GLU  41          2HG       GLU  41 -32.973 -16.356  -7.123
  308   2HG   GLU  41          1HG       GLU  41 -32.172 -15.201  -6.058
  309    H    LYS  42           H        LYS  42 -36.573 -12.864  -5.568
  310    HA   LYS  42           HA       LYS  42 -38.722 -14.591  -4.617
  311   1HB   LYS  42          2HB       LYS  42 -37.380 -13.684  -2.633
  312   2HB   LYS  42          1HB       LYS  42 -38.032 -12.108  -3.063
  313   1HG   LYS  42          2HG       LYS  42 -40.311 -13.520  -2.992
  314   2HG   LYS  42          1HG       LYS  42 -39.362 -14.443  -1.827
  315   1HD   LYS  42          2HD       LYS  42 -39.752 -11.454  -1.719
  316   2HD   LYS  42          1HD       LYS  42 -40.727 -12.615  -0.820
  317   1HE   LYS  42          2HE       LYS  42 -37.809 -12.914  -0.506
  318   2HE   LYS  42          1HE       LYS  42 -38.489 -11.428   0.154
  319   1HZ   LYS  42          2HZ       LYS  42 -40.100 -13.653   0.851
  320   2HZ   LYS  42          1HZ       LYS  42 -38.499 -13.927   1.323
  321   3HZ   LYS  42          3HZ       LYS  42 -39.315 -12.545   1.860
  322    H    ARG  43           H        ARG  43 -38.252 -11.095  -4.482
  323    HA   ARG  43           HA       ARG  43 -39.313 -10.168  -6.767
  324   1HB   ARG  43          2HB       ARG  43 -41.410 -11.473  -5.187
  325   2HB   ARG  43          1HB       ARG  43 -41.812  -9.821  -5.618
  326   1HG   ARG  43          2HG       ARG  43 -41.867 -10.257  -7.863
  327   2HG   ARG  43          1HG       ARG  43 -40.776 -11.635  -7.736
  328   1HD   ARG  43          2HD       ARG  43 -43.335 -11.938  -6.305
  329   2HD   ARG  43          1HD       ARG  43 -43.470 -11.827  -8.058
  330    HE   ARG  43           HE       ARG  43 -42.071 -13.917  -6.554
  331   1HH1  ARG  43          1HH2      ARG  43 -43.179 -12.617  -9.594
  332   2HH1  ARG  43          2HH2      ARG  43 -42.962 -14.104 -10.455
  333   1HH2  ARG  43          2HH1      ARG  43 -41.788 -15.879  -7.683
  334   2HH2  ARG  43          1HH1      ARG  43 -42.179 -15.958  -9.368
  335    H    ASN  44           H        ASN  44 -37.560  -9.075  -5.287
  336    HA   ASN  44           HA       ASN  44 -38.841  -6.697  -4.164
  337   1HB   ASN  44          2HB       ASN  44 -37.043  -8.595  -2.722
  338   2HB   ASN  44          1HB       ASN  44 -36.852  -6.878  -2.390
  339   1HD2  ASN  44          2HD2      ASN  44 -39.951  -8.951  -0.884
  340   2HD2  ASN  44          1HD2      ASN  44 -38.745  -9.671  -1.890
  341    H    LEU  45           H        LEU  45 -36.490  -5.428  -3.308
  342    HA   LEU  45           HA       LEU  45 -34.619  -5.471  -5.518
  343   1HB   LEU  45          2HB       LEU  45 -36.467  -4.056  -6.323
  344   2HB   LEU  45          1HB       LEU  45 -36.274  -3.018  -4.923
  345    HG   LEU  45           HG       LEU  45 -34.093  -2.315  -5.680
  346   1HD1  LEU  45          3HD1      LEU  45 -34.513  -4.408  -7.785
  347   2HD1  LEU  45          2HD1      LEU  45 -33.408  -3.058  -8.039
  348   3HD1  LEU  45          1HD1      LEU  45 -33.136  -4.181  -6.707
  349   1HD2  LEU  45          3HD2      LEU  45 -36.090  -1.150  -6.532
  350   2HD2  LEU  45          2HD2      LEU  45 -34.735  -1.087  -7.659
  351   3HD2  LEU  45          1HD2      LEU  45 -36.073  -2.199  -7.950
  352    H    GLN  46           H        GLN  46 -33.218  -6.078  -3.789
  353    HA   GLN  46           HA       GLN  46 -32.688  -4.083  -1.730
  354   1HB   GLN  46          2HB       GLN  46 -31.944  -6.947  -2.142
  355   2HB   GLN  46          1HB       GLN  46 -30.915  -5.956  -1.116
  356   1HG   GLN  46          2HG       GLN  46 -32.886  -5.385   0.251
  357   2HG   GLN  46          1HG       GLN  46 -33.858  -6.466  -0.744
  358   1HE2  GLN  46          2HE2      GLN  46 -30.880  -8.418   1.229
  359   2HE2  GLN  46          1HE2      GLN  46 -30.544  -7.076   0.197
  360    H    CYS  47           H        CYS  47 -30.374  -3.588  -1.225
  361    HA   CYS  47           HA       CYS  47 -29.023  -2.815  -3.694
  362   1HB   CYS  47          2HB       CYS  47 -29.114  -1.793  -0.923
  363   2HB   CYS  47          1HB       CYS  47 -27.551  -1.652  -1.723
  364    H    ILE  48           H        ILE  48 -27.625  -4.204  -4.490
  365    HA   ILE  48           HA       ILE  48 -26.141  -6.001  -2.759
  366    HB   ILE  48           HB       ILE  48 -26.366  -5.793  -5.753
  367   1HG1  ILE  48          2HG1      ILE  48 -27.335  -8.084  -5.476
  368   2HG1  ILE  48          1HG1      ILE  48 -27.229  -7.872  -3.731
  369   1HG2  ILE  48          2HG2      ILE  48 -24.474  -7.359  -4.065
  370   2HG2  ILE  48          1HG2      ILE  48 -25.061  -8.043  -5.582
  371   3HG2  ILE  48          3HG2      ILE  48 -24.185  -6.512  -5.583
  372   1HD1  ILE  48          3HD1      ILE  48 -28.757  -5.966  -5.466
  373   2HD1  ILE  48          2HD1      ILE  48 -29.476  -7.446  -4.829
  374   3HD1  ILE  48          1HD1      ILE  48 -28.872  -6.210  -3.724
  375    H    CYS  49           H        CYS  49 -24.160  -5.558  -2.020
  376    HA   CYS  49           HA       CYS  49 -22.680  -3.334  -3.207
  377   1HB   CYS  49          2HB       CYS  49 -22.348  -4.865  -0.629
  378   2HB   CYS  49          1HB       CYS  49 -21.179  -3.673  -1.189
  379    H    ASP  50           H        ASP  50 -21.323  -3.772  -4.783
  380    HA   ASP  50           HA       ASP  50 -20.068  -6.409  -4.957
  381   1HB   ASP  50          2HB       ASP  50 -20.965  -5.852  -7.036
  382   2HB   ASP  50          1HB       ASP  50 -20.519  -4.155  -6.888
  383    H    TYR  51           H        TYR  51 -17.928  -6.763  -4.861
  384    HA   TYR  51           HA       TYR  51 -16.256  -4.523  -3.934
  385   1HB   TYR  51          2HB       TYR  51 -16.136  -7.492  -3.484
  386   2HB   TYR  51          1HB       TYR  51 -14.782  -6.435  -3.093
  387    HD1  TYR  51           HD2      TYR  51 -18.310  -7.210  -2.291
  388    HD2  TYR  51           HD1      TYR  51 -14.794  -5.122  -1.112
  389    HE1  TYR  51           HE2      TYR  51 -19.323  -6.750  -0.099
  390    HE2  TYR  51           HE1      TYR  51 -15.800  -4.660   1.084
  391    HH   TYR  51           HH       TYR  51 -19.124  -5.633   1.827
  392    H    CYS  52           H        CYS  52 -16.785  -6.557  -6.582
  393    HA   CYS  52           HA       CYS  52 -14.257  -5.702  -7.780
  394   1HB   CYS  52          2HB       CYS  52 -15.213  -8.568  -7.879
  395   2HB   CYS  52          1HB       CYS  52 -13.759  -7.922  -8.631
  396    H    GLU  53           H        GLU  53 -15.817  -8.193  -9.445
  397    HA   GLU  53           HA       GLU  53 -17.437  -8.237 -11.093
  398   1HB   GLU  53          2HB       GLU  53 -18.288  -6.042  -9.901
  399   2HB   GLU  53          1HB       GLU  53 -17.542  -5.257 -11.286
  400   1HG   GLU  53          2HG       GLU  53 -18.920  -6.947 -12.674
  401   2HG   GLU  53          1HG       GLU  53 -19.868  -7.125 -11.199
  402    H    TYR  54           HN       TYR  54 -15.804  -5.147 -11.758
  403    HA   TYR  54           HA       TYR  54 -14.789  -4.479 -13.722
  404   1HB   TYR  54          2HB       TYR  54 -13.176  -6.648 -12.455
  405   2HB   TYR  54          1HB       TYR  54 -12.643  -6.012 -14.009
  406    HD1  TYR  54           HD1      TYR  54 -14.278  -4.171 -11.233
  407    HD2  TYR  54           HD2      TYR  54 -10.702  -4.818 -13.444
  408    HE1  TYR  54           HE1      TYR  54 -13.238  -2.262 -10.096
  409    HE2  TYR  54           HE2      TYR  54  -9.648  -2.909 -12.307
  410    HH   TYR  54           HH       TYR  54 -11.459  -0.926  -9.986
   
  No H/Q in entry =         410
  Start of MODEL   35
    1    HN   PCA   1           HN       PCA   1 -14.574 -20.729  -1.388
    2    HA   PCA   1           HA       PCA   1 -14.486 -19.985  -3.822
    3   1HB   PCA   1          1HB       PCA   1 -16.487 -19.466  -4.740
    4   2HB   PCA   1          2HB       PCA   1 -16.638 -18.062  -3.656
    5   1HG   PCA   1          1HG       PCA   1 -17.965 -20.630  -3.465
    6   2HG   PCA   1          2HG       PCA   1 -18.133 -19.231  -2.387
    7    H    ASP   2           H        ASP   2 -14.237 -17.555  -4.536
    8    HA   ASP   2           HA       ASP   2 -12.368 -16.373  -2.826
    9   1HB   ASP   2          2HB       ASP   2 -12.883 -16.065  -5.411
   10   2HB   ASP   2          1HB       ASP   2 -13.795 -14.677  -4.825
   11    H    LYS   3           H        LYS   3 -15.799 -15.688  -3.315
   12    HA   LYS   3           HA       LYS   3 -17.289 -14.422  -2.157
   13   1HB   LYS   3          2HB       LYS   3 -16.697 -15.866  -0.300
   14   2HB   LYS   3          1HB       LYS   3 -15.283 -14.885   0.054
   15   1HG   LYS   3          2HG       LYS   3 -17.093 -14.455   1.627
   16   2HG   LYS   3          1HG       LYS   3 -16.702 -13.019   0.680
   17   1HD   LYS   3          2HD       LYS   3 -19.148 -13.428   0.983
   18   2HD   LYS   3          1HD       LYS   3 -18.632 -13.316  -0.699
   19   1HE   LYS   3          2HE       LYS   3 -18.926 -15.579  -1.073
   20   2HE   LYS   3          1HE       LYS   3 -18.779 -15.987   0.635
   21   1HZ   LYS   3          3HZ       LYS   3 -20.950 -14.654   0.857
   22   2HZ   LYS   3          2HZ       LYS   3 -21.099 -14.891  -0.810
   23   3HZ   LYS   3          1HZ       LYS   3 -21.023 -16.223   0.229
   24    H    CYS   4           H        CYS   4 -17.748 -12.300  -2.034
   25    HA   CYS   4           HA       CYS   4 -16.178 -10.259  -1.028
   26   1HB   CYS   4          2HB       CYS   4 -15.502 -11.031  -3.811
   27   2HB   CYS   4          1HB       CYS   4 -15.665  -9.305  -3.507
   28    H    LYS   5           H        LYS   5 -18.678 -11.408  -3.073
   29    HA   LYS   5           HA       LYS   5 -19.940  -8.774  -3.259
   30   1HB   LYS   5          2HB       LYS   5 -21.268 -11.185  -4.385
   31   2HB   LYS   5          1HB       LYS   5 -21.151  -9.556  -5.036
   32   1HG   LYS   5          2HG       LYS   5 -19.740 -10.524  -6.504
   33   2HG   LYS   5          1HG       LYS   5 -18.568 -10.314  -5.201
   34   1HD   LYS   5          2HD       LYS   5 -18.312 -12.546  -5.860
   35   2HD   LYS   5          1HD       LYS   5 -19.299 -12.629  -4.401
   36   1HE   LYS   5          2HE       LYS   5 -20.874 -13.740  -5.541
   37   2HE   LYS   5          1HE       LYS   5 -21.055 -12.372  -6.638
   38   1HZ   LYS   5          1HZ       LYS   5 -18.957 -13.384  -7.742
   39   2HZ   LYS   5          3HZ       LYS   5 -19.435 -14.804  -6.955
   40   3HZ   LYS   5          2HZ       LYS   5 -20.476 -14.057  -8.058
   41    H    LYS   6           H        LYS   6 -21.403  -8.179  -1.793
   42    HA   LYS   6           HA       LYS   6 -23.139 -10.185  -0.591
   43   1HB   LYS   6          2HB       LYS   6 -21.956  -8.340   1.394
   44   2HB   LYS   6          1HB       LYS   6 -22.379 -10.040   1.544
   45   1HG   LYS   6          2HG       LYS   6 -20.344 -10.715   0.505
   46   2HG   LYS   6          1HG       LYS   6 -19.961  -9.052   0.049
   47   1HD   LYS   6          2HD       LYS   6 -19.698  -8.428   2.349
   48   2HD   LYS   6          1HD       LYS   6 -20.232 -10.023   2.885
   49   1HE   LYS   6          2HE       LYS   6 -17.878  -9.761   1.061
   50   2HE   LYS   6          1HE       LYS   6 -17.686  -9.461   2.788
   51   1HZ   LYS   6          3HZ       LYS   6 -19.044 -11.919   1.954
   52   2HZ   LYS   6          2HZ       LYS   6 -17.364 -11.839   1.775
   53   3HZ   LYS   6          1HZ       LYS   6 -18.061 -11.633   3.301
   54    H    VAL   7           H        VAL   7 -25.094  -9.377   0.152
   55    HA   VAL   7           HA       VAL   7 -25.995  -6.970  -0.996
   56    HB   VAL   7           HB       VAL   7 -28.075  -7.293   0.175
   57   1HG1  VAL   7          2HG1      VAL   7 -26.854  -9.845  -0.854
   58   2HG1  VAL   7          1HG1      VAL   7 -28.574  -9.640  -0.521
   59   3HG1  VAL   7          3HG1      VAL   7 -27.792  -8.654  -1.757
   60   1HG2  VAL   7          2HG2      VAL   7 -26.632  -8.251   2.280
   61   2HG2  VAL   7          1HG2      VAL   7 -28.372  -8.442   2.098
   62   3HG2  VAL   7          3HG2      VAL   7 -27.284  -9.742   1.613
   63    H    TYR   8           H        TYR   8 -26.978  -5.182   0.144
   64    HA   TYR   8           HA       TYR   8 -25.101  -3.910   1.815
   65   1HB   TYR   8          2HB       TYR   8 -26.547  -2.048   1.719
   66   2HB   TYR   8          1HB       TYR   8 -26.780  -2.896   0.187
   67    HD1  TYR   8           HD2      TYR   8 -28.231  -2.648   3.624
   68    HD2  TYR   8           HD1      TYR   8 -28.914  -3.493  -0.482
   69    HE1  TYR   8           HE2      TYR   8 -30.617  -2.883   4.080
   70    HE2  TYR   8           HE1      TYR   8 -31.320  -3.709  -0.043
   71    HH   TYR   8           HH       TYR   8 -32.600  -4.010   3.049
   72    H    GLU   9           H        GLU   9 -27.958  -5.711   2.417
   73    HA   GLU   9           HA       GLU   9 -29.296  -5.860   4.300
   74   1HB   GLU   9          2HB       GLU   9 -28.339  -7.423   5.836
   75   2HB   GLU   9          1HB       GLU   9 -27.770  -7.808   4.225
   76   1HG   GLU   9          2HG       GLU   9 -26.152  -6.325   6.283
   77   2HG   GLU   9          1HG       GLU   9 -26.082  -8.052   6.011
   78    H    ASN  10           H        ASN  10 -30.023  -4.120   5.218
   79    HA   ASN  10           HA       ASN  10 -30.293  -2.893   7.211
   80   1HB   ASN  10          2HB       ASN  10 -27.290  -2.591   7.367
   81   2HB   ASN  10          1HB       ASN  10 -28.480  -2.134   8.572
   82   1HD2  ASN  10          1HD2      ASN  10 -26.147  -4.169   8.264
   83   2HD2  ASN  10          2HD2      ASN  10 -26.795  -5.590   9.004
   84    H    TYR  11           H        TYR  11 -31.229  -1.602   5.541
   85    HA   TYR  11           HA       TYR  11 -30.510   1.039   5.556
   86   1HB   TYR  11          2HB       TYR  11 -28.527   0.763   4.347
   87   2HB   TYR  11          1HB       TYR  11 -29.229  -0.451   3.289
   88    HD1  TYR  11           HD1      TYR  11 -29.010   3.145   4.001
   89    HD2  TYR  11           HD2      TYR  11 -30.442   0.177   1.312
   90    HE1  TYR  11           HE1      TYR  11 -29.448   4.886   2.324
   91    HE2  TYR  11           HE2      TYR  11 -30.894   1.913  -0.371
   92    HH   TYR  11           HH       TYR  11 -29.633   4.667  -0.546
   93    HA   PRO  12           HA       PRO  12 -34.811   0.217   4.130
   94   1HB   PRO  12          2HB       PRO  12 -34.682   3.188   4.492
   95   2HB   PRO  12          1HB       PRO  12 -35.974   2.059   4.924
   96   1HG   PRO  12          2HG       PRO  12 -34.329   2.983   6.792
   97   2HG   PRO  12          1HG       PRO  12 -34.848   1.287   6.807
   98   1HD   PRO  12          2HD       PRO  12 -32.224   2.461   6.044
   99   2HD   PRO  12          1HD       PRO  12 -32.586   0.885   6.777
  100    H    VAL  13           H        VAL  13 -34.841  -0.213   2.004
  101    HA   VAL  13           HA       VAL  13 -33.454   1.098  -0.014
  102    HB   VAL  13           HB       VAL  13 -36.120  -0.176  -0.507
  103   1HG1  VAL  13          2HG1      VAL  13 -33.541  -0.096  -2.064
  104   2HG1  VAL  13          1HG1      VAL  13 -34.984  -0.986  -2.546
  105   3HG1  VAL  13          3HG1      VAL  13 -35.030   0.774  -2.438
  106   1HG2  VAL  13          3HG2      VAL  13 -33.597  -1.465   0.428
  107   2HG2  VAL  13          2HG2      VAL  13 -35.268  -1.815   0.871
  108   3HG2  VAL  13          1HG2      VAL  13 -34.647  -2.324  -0.699
  109    H    SER  14           H        SER  14 -33.866   3.346   0.721
  110    HA   SER  14           HA       SER  14 -36.377   4.593   0.429
  111   1HB   SER  14          2HB       SER  14 -35.267   6.612   0.806
  112   2HB   SER  14          1HB       SER  14 -34.188   5.448   1.575
  113    HG   SER  14           HG       SER  14 -33.679   5.848  -1.091
  114    H    LYS  15           H        LYS  15 -33.971   3.630  -1.834
  115    HA   LYS  15           HA       LYS  15 -35.625   4.048  -4.073
  116   1HB   LYS  15          2HB       LYS  15 -34.863   6.427  -3.536
  117   2HB   LYS  15          1HB       LYS  15 -33.253   5.913  -4.024
  118   1HG   LYS  15          2HG       LYS  15 -33.830   5.721  -6.235
  119   2HG   LYS  15          1HG       LYS  15 -35.538   5.453  -5.879
  120   1HD   LYS  15          2HD       LYS  15 -35.063   7.672  -6.900
  121   2HD   LYS  15          1HD       LYS  15 -35.843   7.769  -5.319
  122   1HE   LYS  15          2HE       LYS  15 -33.968   9.383  -5.639
  123   2HE   LYS  15          1HE       LYS  15 -33.773   8.310  -4.254
  124   1HZ   LYS  15          2HZ       LYS  15 -32.575   6.980  -6.315
  125   2HZ   LYS  15          1HZ       LYS  15 -32.129   8.591  -6.573
  126   3HZ   LYS  15          3HZ       LYS  15 -31.785   7.844  -5.094
  127    H    CYS  16           H        CYS  16 -34.418   3.534  -6.149
  128    HA   CYS  16           HA       CYS  16 -31.796   2.488  -6.048
  129   1HB   CYS  16          2HB       CYS  16 -33.779   0.792  -4.954
  130   2HB   CYS  16          1HB       CYS  16 -33.304   0.082  -6.491
  131    H    GLN  17           H        GLN  17 -34.165   3.747  -7.763
  132    HA   GLN  17           HA       GLN  17 -33.886   2.140 -10.170
  133   1HB   GLN  17          2HB       GLN  17 -35.569   4.491  -9.386
  134   2HB   GLN  17          1HB       GLN  17 -35.346   4.112 -11.088
  135   1HG   GLN  17          2HG       GLN  17 -36.313   2.086  -9.097
  136   2HG   GLN  17          1HG       GLN  17 -37.403   3.163  -9.968
  137   1HE2  GLN  17          2HE2      GLN  17 -37.444   1.251 -12.838
  138   2HE2  GLN  17          1HE2      GLN  17 -38.082   2.562 -11.911
  139    H    LEU  18           H        LEU  18 -32.793   5.184  -8.843
  140    HA   LEU  18           HA       LEU  18 -31.704   6.207 -11.261
  141   1HB   LEU  18          2HB       LEU  18 -31.858   7.001  -8.472
  142   2HB   LEU  18          1HB       LEU  18 -30.303   7.402  -9.170
  143    HG   LEU  18           HG       LEU  18 -32.947   8.225 -10.365
  144   1HD1  LEU  18          2HD1      LEU  18 -31.145   9.542  -8.383
  145   2HD1  LEU  18          1HD1      LEU  18 -32.056  10.520  -9.532
  146   3HD1  LEU  18          3HD1      LEU  18 -32.906   9.454  -8.415
  147   1HD2  LEU  18          1HD2      LEU  18 -30.080   8.713 -11.057
  148   2HD2  LEU  18          3HD2      LEU  18 -31.434   8.305 -12.111
  149   3HD2  LEU  18          2HD2      LEU  18 -31.300   9.928 -11.438
  150    H    ALA  19           H        ALA  19 -30.096   4.882  -8.365
  151    HA   ALA  19           HA       ALA  19 -28.380   3.222  -8.434
  152   1HB   ALA  19          3HB       ALA  19 -28.529   3.166 -10.968
  153   2HB   ALA  19          2HB       ALA  19 -27.350   4.481 -10.955
  154   3HB   ALA  19          1HB       ALA  19 -26.937   2.918 -10.257
  155    H    ASN  20           H        ASN  20 -28.353   5.140  -6.764
  156    HA   ASN  20           HA       ASN  20 -25.605   5.982  -6.699
  157   1HB   ASN  20          2HB       ASN  20 -26.193   8.387  -6.279
  158   2HB   ASN  20          1HB       ASN  20 -26.452   7.837  -7.933
  159   1HD2  ASN  20          2HD2      ASN  20 -29.707   8.565  -5.565
  160   2HD2  ASN  20          1HD2      ASN  20 -28.228   8.018  -4.866
  161    H    GLN  21           H        GLN  21 -28.779   6.460  -5.135
  162    HA   GLN  21           HA       GLN  21 -27.916   7.024  -2.599
  163   1HB   GLN  21          2HB       GLN  21 -30.354   6.025  -3.800
  164   2HB   GLN  21          1HB       GLN  21 -30.105   5.274  -2.230
  165   1HG   GLN  21          2HG       GLN  21 -30.093   8.241  -2.741
  166   2HG   GLN  21          1HG       GLN  21 -31.467   7.319  -2.132
  167   1HE2  GLN  21          2HE2      GLN  21 -28.381   8.345   0.294
  168   2HE2  GLN  21          1HE2      GLN  21 -28.314   8.584  -1.415
  169    H    CYS  22           H        CYS  22 -29.063   3.722  -3.318
  170    HA   CYS  22           HA       CYS  22 -27.641   2.567  -1.206
  171   1HB   CYS  22          2HB       CYS  22 -29.496   1.679  -3.091
  172   2HB   CYS  22          1HB       CYS  22 -28.077   0.672  -3.365
  173    H    ASN  23           H        ASN  23 -26.802   2.912  -4.629
  174    HA   ASN  23           HA       ASN  23 -24.487   1.385  -4.704
  175   1HB   ASN  23          2HB       ASN  23 -25.731   2.648  -6.609
  176   2HB   ASN  23          1HB       ASN  23 -24.692   4.000  -6.164
  177   1HD2  ASN  23          2HD2      ASN  23 -22.610   0.695  -7.316
  178   2HD2  ASN  23          1HD2      ASN  23 -23.820   0.596  -6.090
  179    H    TYR  24           H        TYR  24 -24.297   4.934  -4.717
  180    HA   TYR  24           HA       TYR  24 -21.703   5.149  -3.833
  181   1HB   TYR  24          2HB       TYR  24 -22.211   7.294  -4.265
  182   2HB   TYR  24          1HB       TYR  24 -23.925   6.929  -4.217
  183    HD1  TYR  24           HD2      TYR  24 -21.166   7.241  -1.733
  184    HD2  TYR  24           HD1      TYR  24 -25.138   8.293  -2.822
  185    HE1  TYR  24           HE2      TYR  24 -21.367   8.559   0.319
  186    HE2  TYR  24           HE1      TYR  24 -25.355   9.626  -0.768
  187    HH   TYR  24           HH       TYR  24 -23.393   9.348   1.821
  188    H    ASP  25           H        ASP  25 -24.635   4.762  -1.908
  189    HA   ASP  25           HA       ASP  25 -23.585   5.279   0.617
  190   1HB   ASP  25          2HB       ASP  25 -25.797   3.491  -0.333
  191   2HB   ASP  25          1HB       ASP  25 -25.346   3.513   1.367
  192    H    CYS  26           H        CYS  26 -24.141   1.966  -0.632
  193    HA   CYS  26           HA       CYS  26 -22.562   0.696   1.245
  194   1HB   CYS  26          2HB       CYS  26 -23.831  -0.039  -1.233
  195   2HB   CYS  26          1HB       CYS  26 -22.227  -0.760  -1.168
  196    H    LYS  27           H        LYS  27 -21.642   2.232  -1.776
  197    HA   LYS  27           HA       LYS  27 -18.992   1.368  -1.904
  198   1HB   LYS  27          2HB       LYS  27 -20.648   3.217  -3.278
  199   2HB   LYS  27          1HB       LYS  27 -19.178   4.078  -2.850
  200   1HG   LYS  27          2HG       LYS  27 -17.831   2.639  -4.096
  201   2HG   LYS  27          1HG       LYS  27 -19.074   1.388  -4.166
  202   1HD   LYS  27          2HD       LYS  27 -18.913   2.457  -6.318
  203   2HD   LYS  27          1HD       LYS  27 -20.451   2.893  -5.569
  204   1HE   LYS  27          2HE       LYS  27 -19.845   5.074  -5.271
  205   2HE   LYS  27          1HE       LYS  27 -18.131   4.691  -5.111
  206   1HZ   LYS  27          2HZ       LYS  27 -18.738   3.996  -7.677
  207   2HZ   LYS  27          1HZ       LYS  27 -19.619   5.421  -7.440
  208   3HZ   LYS  27          3HZ       LYS  27 -17.946   5.410  -7.192
  209    H    LEU  28           H        LEU  28 -20.296   2.853   0.682
  210    HA   LEU  28           HA       LEU  28 -17.731   3.588   1.716
  211   1HB   LEU  28          2HB       LEU  28 -18.656   5.568   0.263
  212   2HB   LEU  28          1HB       LEU  28 -19.647   5.878   1.675
  213    HG   LEU  28           HG       LEU  28 -17.800   7.277   1.955
  214   1HD1  LEU  28          3HD1      LEU  28 -18.347   5.810   3.924
  215   2HD1  LEU  28          2HD1      LEU  28 -16.957   4.823   3.474
  216   3HD1  LEU  28          1HD1      LEU  28 -16.730   6.513   3.922
  217   1HD2  LEU  28          1HD2      LEU  28 -16.432   6.289   0.161
  218   2HD2  LEU  28          3HD2      LEU  28 -15.495   6.620   1.619
  219   3HD2  LEU  28          2HD2      LEU  28 -15.990   4.969   1.245
  220    H    ASP  29           H        ASP  29 -21.240   3.921   2.151
  221    HA   ASP  29           HA       ASP  29 -21.137   4.216   4.965
  222   1HB   ASP  29          2HB       ASP  29 -23.377   3.298   3.153
  223   2HB   ASP  29          1HB       ASP  29 -23.571   3.664   4.864
  224    H    LYS  30           H        LYS  30 -20.456   1.569   3.050
  225    HA   LYS  30           HA       LYS  30 -20.686  -0.223   5.355
  226   1HB   LYS  30          2HB       LYS  30 -21.599  -0.970   2.573
  227   2HB   LYS  30          1HB       LYS  30 -21.584  -2.027   3.980
  228   1HG   LYS  30          2HG       LYS  30 -23.086  -0.073   4.979
  229   2HG   LYS  30          1HG       LYS  30 -23.448   0.167   3.271
  230   1HD   LYS  30          2HD       LYS  30 -24.229  -2.090   3.055
  231   2HD   LYS  30          1HD       LYS  30 -23.696  -2.481   4.692
  232   1HE   LYS  30          2HE       LYS  30 -26.232  -1.623   3.959
  233   2HE   LYS  30          1HE       LYS  30 -25.581  -1.658   5.596
  234   1HZ   LYS  30          1HZ       LYS  30 -25.380   0.646   3.733
  235   2HZ   LYS  30          3HZ       LYS  30 -26.487   0.516   5.007
  236   3HZ   LYS  30          2HZ       LYS  30 -24.830   0.606   5.332
  237    H    HIS  31           H        HIS  31 -18.636   1.234   3.527
  238    HA   HIS  31           HA       HIS  31 -16.502   0.891   2.835
  239   1HB   HIS  31          2HB       HIS  31 -16.667  -1.686   4.402
  240   2HB   HIS  31          1HB       HIS  31 -15.206  -0.811   3.953
  241    HD1  HIS  31           HD1      HIS  31 -16.776  -1.496   6.864
  242    HD2  HIS  31           HD2      HIS  31 -15.878   2.138   5.064
  243    HE1  HIS  31           HE1      HIS  31 -16.771   0.193   8.726
  244    HE2  HIS  31           HE2      HIS  31 -16.334   2.401   7.596
  245    H    ALA  32           H        ALA  32 -18.538   0.027   1.050
  246    HA   ALA  32           HA       ALA  32 -17.592  -2.491  -0.075
  247   1HB   ALA  32          2HB       ALA  32 -20.054  -1.744   0.059
  248   2HB   ALA  32          1HB       ALA  32 -19.671  -0.735  -1.335
  249   3HB   ALA  32          3HB       ALA  32 -19.484  -2.484  -1.436
  250    H    ARG  33           H        ARG  33 -17.933  -2.028  -2.797
  251    HA   ARG  33           HA       ARG  33 -15.953   0.062  -3.423
  252   1HB   ARG  33          2HB       ARG  33 -14.918  -2.214  -3.398
  253   2HB   ARG  33          1HB       ARG  33 -16.033  -2.689  -4.673
  254   1HG   ARG  33          2HG       ARG  33 -15.097  -0.832  -6.058
  255   2HG   ARG  33          1HG       ARG  33 -13.867  -0.614  -4.813
  256   1HD   ARG  33          2HD       ARG  33 -12.932  -2.733  -5.213
  257   2HD   ARG  33          1HD       ARG  33 -14.347  -3.278  -6.113
  258    HE   ARG  33           HE       ARG  33 -12.922  -1.049  -7.284
  259   1HH1  ARG  33          1HH2      ARG  33 -13.319  -4.504  -7.143
  260   2HH1  ARG  33          2HH2      ARG  33 -12.610  -4.781  -8.699
  261   1HH2  ARG  33          2HH1      ARG  33 -11.988  -1.397  -9.333
  262   2HH2  ARG  33          1HH1      ARG  33 -11.859  -3.010  -9.950
  263    H    SER  34           H        SER  34 -18.379  -2.160  -4.753
  264    HA   SER  34           HA       SER  34 -19.619  -0.028  -6.236
  265   1HB   SER  34          2HB       SER  34 -19.032  -0.562  -8.376
  266   2HB   SER  34          1HB       SER  34 -17.592  -1.208  -7.591
  267    HG   SER  34           HG       SER  34 -19.918  -2.638  -8.363
  268    H    GLY  35           H        GLY  35 -21.760  -0.380  -6.133
  269   1HA   GLY  35          2HA       GLY  35 -22.679  -3.185  -6.014
  270   2HA   GLY  35          1HA       GLY  35 -23.298  -1.976  -4.897
  271    H    GLU  36           H        GLU  36 -25.258  -3.086  -5.992
  272    HA   GLU  36           HA       GLU  36 -26.545  -1.150  -7.590
  273   1HB   GLU  36          2HB       GLU  36 -25.007  -2.237  -9.298
  274   2HB   GLU  36          1HB       GLU  36 -25.962  -3.699  -9.100
  275   1HG   GLU  36          2HG       GLU  36 -27.952  -2.526  -9.854
  276   2HG   GLU  36          1HG       GLU  36 -27.028  -1.032 -10.008
  277    H    CYS  37           H        CYS  37 -28.773  -1.760  -8.129
  278    HA   CYS  37           HA       CYS  37 -29.808  -3.593  -6.137
  279   1HB   CYS  37          2HB       CYS  37 -30.689  -1.161  -7.290
  280   2HB   CYS  37          1HB       CYS  37 -31.916  -2.379  -7.616
  281    H    PHE  38           H        PHE  38 -30.947  -5.399  -6.431
  282    HA   PHE  38           HA       PHE  38 -31.761  -6.228  -9.095
  283   1HB   PHE  38          2HB       PHE  38 -29.633  -7.645  -7.500
  284   2HB   PHE  38          1HB       PHE  38 -30.615  -8.499  -8.687
  285    HD1  PHE  38           HD2      PHE  38 -30.728  -7.330 -11.049
  286    HD2  PHE  38           HD1      PHE  38 -27.639  -6.735  -8.182
  287    HE1  PHE  38           HE2      PHE  38 -29.216  -6.576 -12.840
  288    HE2  PHE  38           HE1      PHE  38 -26.122  -5.979  -9.966
  289    HZ   PHE  38           HZ       PHE  38 -26.911  -5.898 -12.298
  290    H    TYR  39           H        TYR  39 -33.222  -8.030  -9.097
  291    HA   TYR  39           HA       TYR  39 -34.083  -9.196  -6.645
  292   1HB   TYR  39          2HB       TYR  39 -35.951  -8.018  -6.131
  293   2HB   TYR  39          1HB       TYR  39 -35.030  -6.753  -6.916
  294    HD1  TYR  39           HD1      TYR  39 -35.530  -7.675  -9.801
  295    HD2  TYR  39           HD2      TYR  39 -38.052  -7.112  -6.413
  296    HE1  TYR  39           HE1      TYR  39 -37.421  -7.175 -11.295
  297    HE2  TYR  39           HE2      TYR  39 -39.931  -6.599  -7.890
  298    HH   TYR  39           HH       TYR  39 -40.594  -7.151 -10.308
  299    H    ASP  40           H        ASP  40 -36.249 -10.447  -7.012
  300    HA   ASP  40           HA       ASP  40 -36.471 -11.373  -9.788
  301   1HB   ASP  40          2HB       ASP  40 -36.632 -13.717  -8.218
  302   2HB   ASP  40          1HB       ASP  40 -35.337 -13.264  -9.319
  303    H    GLU  41           H        GLU  41 -38.146 -13.571  -9.207
  304    HA   GLU  41           HA       GLU  41 -40.641 -12.325  -9.160
  305   1HB   GLU  41          2HB       GLU  41 -40.482 -14.440 -10.214
  306   2HB   GLU  41          1HB       GLU  41 -39.803 -15.191  -8.778
  307   1HG   GLU  41          2HG       GLU  41 -41.856 -15.266  -7.694
  308   2HG   GLU  41          1HG       GLU  41 -42.564 -14.045  -8.750
  309    H    LYS  42           H        LYS  42 -38.608 -12.474  -6.658
  310    HA   LYS  42           HA       LYS  42 -40.596 -13.070  -4.599
  311   1HB   LYS  42          2HB       LYS  42 -38.007 -13.718  -4.659
  312   2HB   LYS  42          1HB       LYS  42 -37.837 -12.125  -3.941
  313   1HG   LYS  42          2HG       LYS  42 -38.225 -13.065  -1.954
  314   2HG   LYS  42          1HG       LYS  42 -39.886 -13.338  -2.475
  315   1HD   LYS  42          2HD       LYS  42 -37.594 -15.255  -2.907
  316   2HD   LYS  42          1HD       LYS  42 -38.797 -15.383  -1.624
  317   1HE   LYS  42          2HE       LYS  42 -40.544 -15.424  -3.459
  318   2HE   LYS  42          1HE       LYS  42 -39.213 -15.635  -4.594
  319   1HZ   LYS  42          2HZ       LYS  42 -38.569 -17.639  -3.374
  320   2HZ   LYS  42          1HZ       LYS  42 -39.900 -17.448  -2.347
  321   3HZ   LYS  42          3HZ       LYS  42 -40.138 -17.757  -3.994
  322    H    ARG  43           H        ARG  43 -39.987 -10.572  -6.491
  323    HA   ARG  43           HA       ARG  43 -40.125  -8.306  -6.391
  324   1HB   ARG  43          2HB       ARG  43 -42.390  -9.474  -5.240
  325   2HB   ARG  43          1HB       ARG  43 -41.976  -8.164  -4.147
  326   1HG   ARG  43          2HG       ARG  43 -42.001  -6.596  -6.031
  327   2HG   ARG  43          1HG       ARG  43 -42.446  -7.919  -7.112
  328   1HD   ARG  43          2HD       ARG  43 -44.056  -7.041  -4.720
  329   2HD   ARG  43          1HD       ARG  43 -44.370  -6.532  -6.376
  330    HE   ARG  43           HE       ARG  43 -44.609  -9.296  -5.383
  331   1HH1  ARG  43          1HH2      ARG  43 -45.456  -6.793  -7.668
  332   2HH1  ARG  43          2HH2      ARG  43 -46.661  -7.751  -8.456
  333   1HH2  ARG  43          2HH1      ARG  43 -46.189 -10.555  -6.427
  334   2HH2  ARG  43          1HH1      ARG  43 -47.073  -9.887  -7.758
  335    H    ASN  44           H        ASN  44 -38.408  -9.833  -4.247
  336    HA   ASN  44           HA       ASN  44 -38.112  -7.663  -2.314
  337   1HB   ASN  44          2HB       ASN  44 -36.835 -10.405  -2.434
  338   2HB   ASN  44          1HB       ASN  44 -36.539  -9.220  -1.165
  339   1HD2  ASN  44          2HD2      ASN  44 -40.308  -9.582  -0.552
  340   2HD2  ASN  44          1HD2      ASN  44 -39.448  -8.394  -1.462
  341    H    LEU  45           H        LEU  45 -37.111  -6.049  -3.331
  342    HA   LEU  45           HA       LEU  45 -34.743  -6.558  -4.912
  343   1HB   LEU  45          2HB       LEU  45 -36.415  -5.008  -5.770
  344   2HB   LEU  45          1HB       LEU  45 -36.281  -4.041  -4.314
  345    HG   LEU  45           HG       LEU  45 -33.738  -3.846  -5.088
  346   1HD1  LEU  45          3HD1      LEU  45 -35.217  -4.611  -7.572
  347   2HD1  LEU  45          2HD1      LEU  45 -33.911  -3.440  -7.652
  348   3HD1  LEU  45          1HD1      LEU  45 -33.599  -5.057  -7.035
  349   1HD2  LEU  45          2HD2      LEU  45 -36.145  -2.263  -5.862
  350   2HD2  LEU  45          1HD2      LEU  45 -34.840  -1.860  -4.746
  351   3HD2  LEU  45          3HD2      LEU  45 -34.563  -1.804  -6.487
  352    H    GLN  46           H        GLN  46 -32.726  -6.297  -4.338
  353    HA   GLN  46           HA       GLN  46 -32.131  -4.778  -1.893
  354   1HB   GLN  46          2HB       GLN  46 -31.912  -7.658  -2.250
  355   2HB   GLN  46          1HB       GLN  46 -30.360  -6.955  -1.819
  356   1HG   GLN  46          2HG       GLN  46 -31.631  -7.713   0.128
  357   2HG   GLN  46          1HG       GLN  46 -31.305  -5.982   0.170
  358   1HE2  GLN  46          2HE2      GLN  46 -35.133  -7.199  -0.647
  359   2HE2  GLN  46          1HE2      GLN  46 -33.784  -8.101  -1.239
  360    H    CYS  47           H        CYS  47 -29.964  -4.068  -1.701
  361    HA   CYS  47           HA       CYS  47 -28.712  -3.597  -4.282
  362   1HB   CYS  47          2HB       CYS  47 -27.573  -2.334  -1.861
  363   2HB   CYS  47          1HB       CYS  47 -27.872  -1.656  -3.452
  364    H    ILE  48           H        ILE  48 -27.280  -4.970  -4.957
  365    HA   ILE  48           HA       ILE  48 -25.748  -6.620  -3.163
  366    HB   ILE  48           HB       ILE  48 -25.882  -6.386  -6.159
  367   1HG1  ILE  48          2HG1      ILE  48 -27.530  -7.711  -4.627
  368   2HG1  ILE  48          1HG1      ILE  48 -26.921  -8.465  -6.097
  369   1HG2  ILE  48          1HG2      ILE  48 -23.778  -7.700  -4.500
  370   2HG2  ILE  48          3HG2      ILE  48 -24.286  -8.459  -6.009
  371   3HG2  ILE  48          2HG2      ILE  48 -23.626  -6.824  -6.022
  372   1HD1  ILE  48          3HD1      ILE  48 -25.755  -8.898  -3.360
  373   2HD1  ILE  48          2HD1      ILE  48 -26.931  -9.961  -4.132
  374   3HD1  ILE  48          1HD1      ILE  48 -25.332  -9.748  -4.846
  375    H    CYS  49           H        CYS  49 -24.097  -5.730  -2.117
  376    HA   CYS  49           HA       CYS  49 -22.543  -3.612  -3.407
  377   1HB   CYS  49          2HB       CYS  49 -22.197  -4.563  -0.573
  378   2HB   CYS  49          1HB       CYS  49 -21.807  -2.989  -1.261
  379    H    ASP  50           H        ASP  50 -20.815  -4.174  -4.506
  380    HA   ASP  50           HA       ASP  50 -19.441  -6.678  -3.892
  381   1HB   ASP  50          2HB       ASP  50 -18.841  -4.860  -6.215
  382   2HB   ASP  50          1HB       ASP  50 -18.519  -6.584  -6.064
  383    H    TYR  51           H        TYR  51 -17.516  -6.824  -3.026
  384    HA   TYR  51           HA       TYR  51 -16.136  -4.339  -2.300
  385   1HB   TYR  51          2HB       TYR  51 -16.077  -7.134  -1.177
  386   2HB   TYR  51          1HB       TYR  51 -14.944  -5.881  -0.668
  387    HD1  TYR  51           HD2      TYR  51 -18.609  -6.460  -1.055
  388    HD2  TYR  51           HD1      TYR  51 -15.516  -4.565   1.168
  389    HE1  TYR  51           HE2      TYR  51 -20.275  -5.649   0.559
  390    HE2  TYR  51           HE1      TYR  51 -17.174  -3.748   2.791
  391    HH   TYR  51           HH       TYR  51 -20.579  -4.002   2.225
  392    H    CYS  52           H        CYS  52 -15.879  -7.055  -4.356
  393    HA   CYS  52           HA       CYS  52 -13.212  -6.187  -5.180
  394   1HB   CYS  52          2HB       CYS  52 -13.671  -9.131  -4.950
  395   2HB   CYS  52          1HB       CYS  52 -12.159  -8.231  -4.934
  396    H    GLU  53           H        GLU  53 -16.279  -7.548  -5.888
  397    HA   GLU  53           HA       GLU  53 -17.352  -8.047  -7.829
  398   1HB   GLU  53          2HB       GLU  53 -15.162  -6.236  -8.817
  399   2HB   GLU  53          1HB       GLU  53 -16.294  -6.979  -9.938
  400   1HG   GLU  53          2HG       GLU  53 -18.155  -5.928  -8.757
  401   2HG   GLU  53          1HG       GLU  53 -17.016  -5.180  -7.637
  402    H    TYR  54           HN       TYR  54 -16.539 -10.271  -7.279
  403    HA   TYR  54           HA       TYR  54 -15.737 -12.294  -7.930
  404   1HB   TYR  54          2HB       TYR  54 -16.299 -10.830 -10.392
  405   2HB   TYR  54          1HB       TYR  54 -15.051 -12.049 -10.624
  406    HD1  TYR  54           HD1      TYR  54 -15.567 -14.438  -9.932
  407    HD2  TYR  54           HD2      TYR  54 -18.567 -11.441 -10.281
  408    HE1  TYR  54           HE1      TYR  54 -17.289 -16.187 -10.081
  409    HE2  TYR  54           HE2      TYR  54 -20.298 -13.182 -10.431
  410    HH   TYR  54           HH       TYR  54 -20.335 -15.682 -11.181
   
  No H/Q in entry =         410
  Start of MODEL   36
    1    HN   PCA   1           HN       PCA   1 -17.924 -18.828  -7.732
    2    HA   PCA   1           HA       PCA   1 -15.773 -19.365  -6.435
    3   1HB   PCA   1          1HB       PCA   1 -13.850 -19.324  -7.628
    4   2HB   PCA   1          2HB       PCA   1 -14.109 -17.621  -8.074
    5   1HG   PCA   1          1HG       PCA   1 -14.666 -20.035  -9.627
    6   2HG   PCA   1          2HG       PCA   1 -14.756 -18.341 -10.145
    7    H    ASP   2           H        ASP   2 -17.946 -17.535  -6.274
    8    HA   ASP   2           HA       ASP   2 -18.570 -15.640  -5.190
    9   1HB   ASP   2          2HB       ASP   2 -15.783 -15.160  -4.218
   10   2HB   ASP   2          1HB       ASP   2 -17.315 -14.975  -3.368
   11    H    LYS   3           H        LYS   3 -18.438 -13.324  -5.219
   12    HA   LYS   3           HA       LYS   3 -16.593 -12.174  -7.178
   13   1HB   LYS   3          2HB       LYS   3 -19.398 -12.653  -7.598
   14   2HB   LYS   3          1HB       LYS   3 -19.131 -10.921  -7.572
   15   1HG   LYS   3          2HG       LYS   3 -17.258 -12.490  -9.247
   16   2HG   LYS   3          1HG       LYS   3 -18.932 -12.434  -9.788
   17   1HD   LYS   3          2HD       LYS   3 -17.382  -9.961  -9.048
   18   2HD   LYS   3          1HD       LYS   3 -17.387 -10.630 -10.679
   19   1HE   LYS   3          2HE       LYS   3 -20.094 -10.483  -9.866
   20   2HE   LYS   3          1HE       LYS   3 -19.348  -8.953  -9.412
   21   1HZ   LYS   3          1HZ       LYS   3 -18.407  -9.027 -11.792
   22   2HZ   LYS   3          3HZ       LYS   3 -19.639 -10.149 -12.087
   23   3HZ   LYS   3          2HZ       LYS   3 -20.024  -8.586 -11.568
   24    H    CYS   4           H        CYS   4 -16.558 -12.054  -4.362
   25    HA   CYS   4           HA       CYS   4 -16.488 -10.610  -2.604
   26   1HB   CYS   4          2HB       CYS   4 -15.601  -9.042  -4.982
   27   2HB   CYS   4          1HB       CYS   4 -15.840  -8.181  -3.471
   28    H    LYS   5           H        LYS   5 -19.116 -10.879  -4.080
   29    HA   LYS   5           HA       LYS   5 -20.330  -8.270  -3.584
   30   1HB   LYS   5          2HB       LYS   5 -22.417  -9.600  -4.450
   31   2HB   LYS   5          1HB       LYS   5 -21.178  -9.058  -5.571
   32   1HG   LYS   5          2HG       LYS   5 -21.763 -11.288  -6.143
   33   2HG   LYS   5          1HG       LYS   5 -20.149 -11.321  -5.432
   34   1HD   LYS   5          2HD       LYS   5 -20.846 -12.431  -3.560
   35   2HD   LYS   5          1HD       LYS   5 -22.462 -11.726  -3.610
   36   1HE   LYS   5          2HE       LYS   5 -23.212 -13.251  -5.202
   37   2HE   LYS   5          1HE       LYS   5 -21.577 -13.673  -5.707
   38   1HZ   LYS   5          2HZ       LYS   5 -22.412 -14.262  -2.955
   39   2HZ   LYS   5          1HZ       LYS   5 -22.945 -15.272  -4.202
   40   3HZ   LYS   5          3HZ       LYS   5 -21.288 -15.064  -3.931
   41    H    LYS   6           H        LYS   6 -21.753  -7.822  -1.994
   42    HA   LYS   6           HA       LYS   6 -22.831  -9.948  -0.331
   43   1HB   LYS   6          2HB       LYS   6 -21.226  -7.716   0.915
   44   2HB   LYS   6          1HB       LYS   6 -21.988  -9.064   1.745
   45   1HG   LYS   6          2HG       LYS   6 -20.465 -10.592   0.477
   46   2HG   LYS   6          1HG       LYS   6 -19.624  -9.158  -0.111
   47   1HD   LYS   6          2HD       LYS   6 -18.784  -8.633   1.980
   48   2HD   LYS   6          1HD       LYS   6 -20.044  -9.532   2.826
   49   1HE   LYS   6          2HE       LYS   6 -17.977 -10.731   3.038
   50   2HE   LYS   6          1HE       LYS   6 -19.045 -11.635   1.963
   51   1HZ   LYS   6          3HZ       LYS   6 -17.364  -9.778   0.566
   52   2HZ   LYS   6          2HZ       LYS   6 -16.477 -10.932   1.427
   53   3HZ   LYS   6          1HZ       LYS   6 -17.621 -11.427   0.283
   54    H    VAL   7           H        VAL   7 -24.890  -9.501   0.042
   55    HA   VAL   7           HA       VAL   7 -26.098  -7.102  -0.749
   56    HB   VAL   7           HB       VAL   7 -28.116  -8.041  -0.234
   57   1HG1  VAL   7          1HG1      VAL   7 -26.639  -9.626  -1.550
   58   2HG1  VAL   7          3HG1      VAL   7 -26.492 -10.553  -0.056
   59   3HG1  VAL   7          2HG1      VAL   7 -28.077 -10.313  -0.793
   60   1HG2  VAL   7          1HG2      VAL   7 -26.773  -9.199   2.188
   61   2HG2  VAL   7          3HG2      VAL   7 -28.137  -8.083   2.101
   62   3HG2  VAL   7          2HG2      VAL   7 -28.351  -9.773   1.646
   63    H    TYR   8           H        TYR   8 -26.912  -5.372   0.320
   64    HA   TYR   8           HA       TYR   8 -25.710  -4.738   2.876
   65   1HB   TYR   8          2HB       TYR   8 -26.103  -3.113   0.889
   66   2HB   TYR   8          1HB       TYR   8 -27.771  -3.068   1.443
   67    HD1  TYR   8           HD1      TYR   8 -26.633  -3.353   4.496
   68    HD2  TYR   8           HD2      TYR   8 -26.045  -0.671   1.238
   69    HE1  TYR   8           HE1      TYR   8 -26.045  -1.568   6.073
   70    HE2  TYR   8           HE2      TYR   8 -25.455   1.114   2.817
   71    HH   TYR   8           HH       TYR   8 -25.031   0.500   6.226
   72    H    GLU   9           H        GLU   9 -26.627  -5.831   4.520
   73    HA   GLU   9           HA       GLU   9 -29.265  -6.708   4.604
   74   1HB   GLU   9          2HB       GLU   9 -27.741  -6.035   7.107
   75   2HB   GLU   9          1HB       GLU   9 -28.876  -7.349   6.831
   76   1HG   GLU   9          2HG       GLU   9 -26.160  -7.154   5.551
   77   2HG   GLU   9          1HG       GLU   9 -26.516  -8.069   7.014
   78    H    ASN  10           H        ASN  10 -30.858  -6.022   6.346
   79    HA   ASN  10           HA       ASN  10 -32.499  -4.280   6.323
   80   1HB   ASN  10          2HB       ASN  10 -31.436  -3.017   8.591
   81   2HB   ASN  10          1HB       ASN  10 -32.499  -4.420   8.567
   82   1HD2  ASN  10          2HD2      ASN  10 -30.096  -6.175  10.301
   83   2HD2  ASN  10          1HD2      ASN  10 -31.715  -5.578  10.199
   84    H    TYR  11           H        TYR  11 -32.708  -2.674   4.945
   85    HA   TYR  11           HA       TYR  11 -31.653  -0.129   5.438
   86   1HB   TYR  11          2HB       TYR  11 -29.536  -0.665   4.669
   87   2HB   TYR  11          1HB       TYR  11 -30.142  -1.837   3.505
   88    HD1  TYR  11           HD1      TYR  11 -31.304  -0.945   1.412
   89    HD2  TYR  11           HD2      TYR  11 -28.995   1.518   4.002
   90    HE1  TYR  11           HE1      TYR  11 -31.080   0.721  -0.382
   91    HE2  TYR  11           HE2      TYR  11 -28.766   3.191   2.215
   92    HH   TYR  11           HH       TYR  11 -29.046   2.766  -0.759
   93    HA   PRO  12           HA       PRO  12 -35.153   1.335   3.171
   94   1HB   PRO  12          2HB       PRO  12 -33.003   2.671   1.553
   95   2HB   PRO  12          1HB       PRO  12 -34.551   3.324   2.104
   96   1HG   PRO  12          2HG       PRO  12 -32.229   3.800   3.411
   97   2HG   PRO  12          1HG       PRO  12 -33.792   3.692   4.239
   98   1HD   PRO  12          2HD       PRO  12 -31.520   1.876   4.389
   99   2HD   PRO  12          1HD       PRO  12 -32.989   1.898   5.378
  100    H    VAL  13           H        VAL  13 -35.465  -0.872   2.362
  101    HA   VAL  13           HA       VAL  13 -34.314  -1.903   0.034
  102    HB   VAL  13           HB       VAL  13 -35.523  -3.462   1.265
  103   1HG1  VAL  13          3HG1      VAL  13 -37.618  -1.342   1.443
  104   2HG1  VAL  13          2HG1      VAL  13 -38.056  -3.033   1.691
  105   3HG1  VAL  13          1HG1      VAL  13 -36.847  -2.273   2.727
  106   1HG2  VAL  13          2HG2      VAL  13 -35.978  -3.561  -1.210
  107   2HG2  VAL  13          1HG2      VAL  13 -37.164  -4.373  -0.191
  108   3HG2  VAL  13          3HG2      VAL  13 -37.527  -2.790  -0.879
  109    H    SER  14           H        SER  14 -37.102   0.220   0.475
  110    HA   SER  14           HA       SER  14 -38.029   0.171  -2.179
  111   1HB   SER  14          2HB       SER  14 -39.616   1.575  -1.386
  112   2HB   SER  14          1HB       SER  14 -38.845   1.359   0.186
  113    HG   SER  14           HG       SER  14 -39.093   3.587  -1.148
  114    H    LYS  15           H        LYS  15 -35.637   2.204  -0.558
  115    HA   LYS  15           HA       LYS  15 -35.267   4.033  -2.678
  116   1HB   LYS  15          2HB       LYS  15 -34.457   4.031  -0.147
  117   2HB   LYS  15          1HB       LYS  15 -32.995   3.368  -0.862
  118   1HG   LYS  15          2HG       LYS  15 -32.562   5.632  -0.834
  119   2HG   LYS  15          1HG       LYS  15 -33.151   5.377  -2.478
  120   1HD   LYS  15          2HD       LYS  15 -34.170   7.361  -1.540
  121   2HD   LYS  15          1HD       LYS  15 -35.395   6.111  -1.758
  122   1HE   LYS  15          2HE       LYS  15 -35.154   7.521   0.503
  123   2HE   LYS  15          1HE       LYS  15 -35.726   5.853   0.474
  124   1HZ   LYS  15          2HZ       LYS  15 -32.860   6.495   0.798
  125   2HZ   LYS  15          1HZ       LYS  15 -33.908   6.440   2.124
  126   3HZ   LYS  15          3HZ       LYS  15 -33.668   5.059   1.178
  127    H    CYS  16           H        CYS  16 -35.070   2.942  -4.610
  128    HA   CYS  16           HA       CYS  16 -32.466   2.193  -5.407
  129   1HB   CYS  16          2HB       CYS  16 -34.047   0.096  -4.257
  130   2HB   CYS  16          1HB       CYS  16 -33.830  -0.246  -5.970
  131    H    GLN  17           H        GLN  17 -32.494   3.159  -7.345
  132    HA   GLN  17           HA       GLN  17 -34.505   2.344  -9.280
  133   1HB   GLN  17          2HB       GLN  17 -34.119   5.265  -9.297
  134   2HB   GLN  17          1HB       GLN  17 -35.586   4.318  -9.509
  135   1HG   GLN  17          2HG       GLN  17 -35.816   4.059  -7.127
  136   2HG   GLN  17          1HG       GLN  17 -34.271   4.866  -6.858
  137   1HE2  GLN  17          2HE2      GLN  17 -35.853   7.903  -6.496
  138   2HE2  GLN  17          1HE2      GLN  17 -34.666   6.763  -5.971
  139    H    LEU  18           H        LEU  18 -31.408   3.679  -8.526
  140    HA   LEU  18           HA       LEU  18 -30.365   2.956 -11.075
  141   1HB   LEU  18          2HB       LEU  18 -31.226   5.705 -10.596
  142   2HB   LEU  18          1HB       LEU  18 -29.548   5.609 -11.098
  143    HG   LEU  18           HG       LEU  18 -31.553   4.078 -12.668
  144   1HD1  LEU  18          3HD1      LEU  18 -31.356   7.060 -12.586
  145   2HD1  LEU  18          2HD1      LEU  18 -31.773   6.230 -14.085
  146   3HD1  LEU  18          1HD1      LEU  18 -32.789   6.034 -12.657
  147   1HD2  LEU  18          2HD2      LEU  18 -29.052   5.619 -13.339
  148   2HD2  LEU  18          1HD2      LEU  18 -29.228   3.866 -13.250
  149   3HD2  LEU  18          3HD2      LEU  18 -30.056   4.772 -14.517
  150    H    ALA  19           H        ALA  19 -28.034   3.904 -11.279
  151    HA   ALA  19           HA       ALA  19 -26.481   2.868  -9.202
  152   1HB   ALA  19          3HB       ALA  19 -25.922   3.407 -11.692
  153   2HB   ALA  19          2HB       ALA  19 -25.378   4.948 -11.029
  154   3HB   ALA  19          1HB       ALA  19 -24.654   3.442 -10.468
  155    H    ASN  20           H        ASN  20 -26.634   3.680  -7.186
  156    HA   ASN  20           HA       ASN  20 -25.270   5.952  -6.456
  157   1HB   ASN  20          2HB       ASN  20 -27.357   7.317  -5.654
  158   2HB   ASN  20          1HB       ASN  20 -26.763   7.482  -7.303
  159   1HD2  ASN  20          2HD2      ASN  20 -30.517   6.452  -6.662
  160   2HD2  ASN  20          1HD2      ASN  20 -29.449   7.116  -5.479
  161    H    GLN  21           H        GLN  21 -28.454   5.374  -5.046
  162    HA   GLN  21           HA       GLN  21 -27.928   5.219  -2.476
  163   1HB   GLN  21          2HB       GLN  21 -29.453   2.833  -2.880
  164   2HB   GLN  21          1HB       GLN  21 -30.024   4.425  -2.406
  165   1HG   GLN  21          2HG       GLN  21 -31.235   3.741  -4.320
  166   2HG   GLN  21          1HG       GLN  21 -30.146   5.035  -4.800
  167   1HE2  GLN  21          2HE2      GLN  21 -27.937   2.273  -6.180
  168   2HE2  GLN  21          1HE2      GLN  21 -27.815   3.222  -4.744
  169    H    CYS  22           H        CYS  22 -28.089   1.928  -3.798
  170    HA   CYS  22           HA       CYS  22 -26.434   0.799  -1.895
  171   1HB   CYS  22          2HB       CYS  22 -26.343  -0.379  -4.631
  172   2HB   CYS  22          1HB       CYS  22 -26.605  -1.160  -3.076
  173    H    ASN  23           H        ASN  23 -25.484   1.670  -5.230
  174    HA   ASN  23           HA       ASN  23 -22.807   1.059  -5.109
  175   1HB   ASN  23          2HB       ASN  23 -24.208   2.004  -7.073
  176   2HB   ASN  23          1HB       ASN  23 -23.775   3.587  -6.434
  177   1HD2  ASN  23          2HD2      ASN  23 -20.580   1.302  -7.541
  178   2HD2  ASN  23          1HD2      ASN  23 -21.811   0.665  -6.509
  179    H    TYR  24           H        TYR  24 -23.869   4.423  -4.880
  180    HA   TYR  24           HA       TYR  24 -21.615   5.485  -3.716
  181   1HB   TYR  24          2HB       TYR  24 -22.823   7.340  -4.038
  182   2HB   TYR  24          1HB       TYR  24 -24.245   6.356  -4.343
  183    HD1  TYR  24           HD1      TYR  24 -22.232   7.619  -1.503
  184    HD2  TYR  24           HD2      TYR  24 -26.101   6.694  -3.000
  185    HE1  TYR  24           HE1      TYR  24 -23.223   8.498   0.556
  186    HE2  TYR  24           HE2      TYR  24 -27.114   7.582  -0.938
  187    HH   TYR  24           HH       TYR  24 -25.108   8.730   1.752
  188    H    ASP  25           H        ASP  25 -24.419   4.054  -2.049
  189    HA   ASP  25           HA       ASP  25 -23.694   4.745   0.545
  190   1HB   ASP  25          2HB       ASP  25 -25.187   2.342  -0.496
  191   2HB   ASP  25          1HB       ASP  25 -24.908   2.604   1.218
  192    H    CYS  26           H        CYS  26 -23.119   1.520  -0.899
  193    HA   CYS  26           HA       CYS  26 -21.344   0.641   1.044
  194   1HB   CYS  26          2HB       CYS  26 -20.821  -0.105  -1.810
  195   2HB   CYS  26          1HB       CYS  26 -20.840  -1.123  -0.373
  196    H    LYS  27           H        LYS  27 -20.784   2.581  -1.837
  197    HA   LYS  27           HA       LYS  27 -18.006   2.630  -1.841
  198   1HB   LYS  27          2HB       LYS  27 -19.713   3.566  -3.545
  199   2HB   LYS  27          1HB       LYS  27 -19.629   5.038  -2.587
  200   1HG   LYS  27          2HG       LYS  27 -18.050   5.446  -4.198
  201   2HG   LYS  27          1HG       LYS  27 -17.058   4.766  -2.907
  202   1HD   LYS  27          2HD       LYS  27 -17.413   2.513  -4.047
  203   2HD   LYS  27          1HD       LYS  27 -18.023   3.433  -5.422
  204   1HE   LYS  27          2HE       LYS  27 -15.342   3.996  -4.193
  205   2HE   LYS  27          1HE       LYS  27 -15.558   2.775  -5.445
  206   1HZ   LYS  27          2HZ       LYS  27 -16.803   4.857  -6.546
  207   2HZ   LYS  27          1HZ       LYS  27 -15.616   5.665  -5.653
  208   3HZ   LYS  27          3HZ       LYS  27 -15.169   4.503  -6.800
  209    H    LEU  28           H        LEU  28 -19.803   3.510   0.744
  210    HA   LEU  28           HA       LEU  28 -17.622   4.971   1.900
  211   1HB   LEU  28          2HB       LEU  28 -18.642   6.794   0.680
  212   2HB   LEU  28          1HB       LEU  28 -20.209   6.428   1.377
  213    HG   LEU  28           HG       LEU  28 -19.348   7.032   3.608
  214   1HD1  LEU  28          3HD1      LEU  28 -16.827   7.412   2.055
  215   2HD1  LEU  28          2HD1      LEU  28 -17.138   8.400   3.483
  216   3HD1  LEU  28          1HD1      LEU  28 -17.078   6.643   3.622
  217   1HD2  LEU  28          2HD2      LEU  28 -19.085   9.085   1.420
  218   2HD2  LEU  28          1HD2      LEU  28 -20.496   8.742   2.421
  219   3HD2  LEU  28          3HD2      LEU  28 -19.064   9.482   3.139
  220    H    ASP  29           H        ASP  29 -20.987   3.936   2.182
  221    HA   ASP  29           HA       ASP  29 -21.160   4.209   4.997
  222   1HB   ASP  29          2HB       ASP  29 -22.706   2.591   2.979
  223   2HB   ASP  29          1HB       ASP  29 -23.048   2.479   4.702
  224    H    LYS  30           H        LYS  30 -20.563   1.380   2.925
  225    HA   LYS  30           HA       LYS  30 -19.540  -0.073   5.275
  226   1HB   LYS  30          2HB       LYS  30 -20.112  -1.360   2.622
  227   2HB   LYS  30          1HB       LYS  30 -20.091  -2.087   4.222
  228   1HG   LYS  30          2HG       LYS  30 -22.156  -0.035   3.518
  229   2HG   LYS  30          1HG       LYS  30 -22.349  -1.716   3.029
  230   1HD   LYS  30          2HD       LYS  30 -21.622  -1.224   5.863
  231   2HD   LYS  30          1HD       LYS  30 -23.252  -0.765   5.369
  232   1HE   LYS  30          2HE       LYS  30 -23.219  -3.041   6.229
  233   2HE   LYS  30          1HE       LYS  30 -23.629  -3.026   4.514
  234   1HZ   LYS  30          2HZ       LYS  30 -21.334  -3.614   4.007
  235   2HZ   LYS  30          1HZ       LYS  30 -20.961  -3.656   5.657
  236   3HZ   LYS  30          3HZ       LYS  30 -22.053  -4.773   5.007
  237    H    HIS  31           H        HIS  31 -18.379   1.886   3.050
  238    HA   HIS  31           HA       HIS  31 -16.441   2.157   1.887
  239   1HB   HIS  31          2HB       HIS  31 -14.492   0.885   3.354
  240   2HB   HIS  31          1HB       HIS  31 -15.143   2.479   3.710
  241    HD1  HIS  31           HD1      HIS  31 -15.143  -1.040   4.919
  242    HD2  HIS  31           HD2      HIS  31 -16.894   2.595   5.909
  243    HE1  HIS  31           HE1      HIS  31 -16.126  -1.370   7.210
  244    HE2  HIS  31           HE2      HIS  31 -17.090   0.873   7.830
  245    H    ALA  32           H        ALA  32 -17.864   0.265   0.667
  246    HA   ALA  32           HA       ALA  32 -16.261  -2.120   0.267
  247   1HB   ALA  32          2HB       ALA  32 -18.826  -2.027   0.283
  248   2HB   ALA  32          1HB       ALA  32 -18.685  -1.361  -1.343
  249   3HB   ALA  32          3HB       ALA  32 -18.049  -2.968  -0.990
  250    H    ARG  33           H        ARG  33 -17.539  -1.652  -2.648
  251    HA   ARG  33           HA       ARG  33 -15.409   0.040  -3.712
  252   1HB   ARG  33          2HB       ARG  33 -15.215  -2.713  -3.744
  253   2HB   ARG  33          1HB       ARG  33 -15.875  -2.364  -5.334
  254   1HG   ARG  33          2HG       ARG  33 -13.443  -1.007  -4.218
  255   2HG   ARG  33          1HG       ARG  33 -13.380  -2.477  -5.194
  256   1HD   ARG  33          2HD       ARG  33 -14.509  -1.305  -7.023
  257   2HD   ARG  33          1HD       ARG  33 -14.576   0.160  -6.045
  258    HE   ARG  33           HE       ARG  33 -11.919  -0.540  -6.158
  259   1HH1  ARG  33          1HH2      ARG  33 -14.423   0.247  -8.444
  260   2HH1  ARG  33          2HH2      ARG  33 -13.331   0.920  -9.608
  261   1HH2  ARG  33          2HH1      ARG  33 -10.469   0.345  -7.683
  262   2HH2  ARG  33          1HH1      ARG  33 -11.085   0.978  -9.173
  263    H    SER  34           H        SER  34 -18.357  -1.799  -4.348
  264    HA   SER  34           HA       SER  34 -19.490   0.410  -5.801
  265   1HB   SER  34          2HB       SER  34 -20.006  -1.191  -7.794
  266   2HB   SER  34          1HB       SER  34 -18.420  -0.426  -7.708
  267    HG   SER  34           HG       SER  34 -17.874  -2.476  -7.982
  268    H    GLY  35           H        GLY  35 -21.569  -0.997  -7.069
  269   1HA   GLY  35          2HA       GLY  35 -22.842  -2.998  -5.691
  270   2HA   GLY  35          1HA       GLY  35 -23.238  -1.532  -4.806
  271    H    GLU  36           H        GLU  36 -25.324  -2.801  -5.748
  272    HA   GLU  36           HA       GLU  36 -26.573  -0.951  -7.460
  273   1HB   GLU  36          2HB       GLU  36 -25.048  -2.293  -9.062
  274   2HB   GLU  36          1HB       GLU  36 -26.185  -3.609  -8.821
  275   1HG   GLU  36          2HG       GLU  36 -27.857  -2.566  -9.978
  276   2HG   GLU  36          1HG       GLU  36 -27.244  -0.950  -9.628
  277    H    CYS  37           H        CYS  37 -28.786  -1.777  -8.170
  278    HA   CYS  37           HA       CYS  37 -29.935  -3.198  -5.916
  279   1HB   CYS  37          2HB       CYS  37 -31.372  -1.983  -8.278
  280   2HB   CYS  37          1HB       CYS  37 -32.065  -2.425  -6.721
  281    H    PHE  38           H        PHE  38 -31.204  -5.052  -6.051
  282    HA   PHE  38           HA       PHE  38 -31.373  -6.454  -8.597
  283   1HB   PHE  38          2HB       PHE  38 -29.628  -7.277  -6.337
  284   2HB   PHE  38          1HB       PHE  38 -30.548  -8.553  -7.128
  285    HD1  PHE  38           HD1      PHE  38 -27.912  -6.047  -7.542
  286    HD2  PHE  38           HD2      PHE  38 -30.076  -9.211  -9.391
  287    HE1  PHE  38           HE1      PHE  38 -26.234  -6.138  -9.340
  288    HE2  PHE  38           HE2      PHE  38 -28.402  -9.309 -11.191
  289    HZ   PHE  38           HZ       PHE  38 -26.477  -7.772 -11.168
  290    H    TYR  39           H        TYR  39 -33.236  -7.528  -8.792
  291    HA   TYR  39           HA       TYR  39 -35.175  -7.360  -6.705
  292   1HB   TYR  39          2HB       TYR  39 -35.139  -8.375  -9.511
  293   2HB   TYR  39          1HB       TYR  39 -36.454  -8.885  -8.457
  294    HD1  TYR  39           HD1      TYR  39 -38.076  -7.261  -7.614
  295    HD2  TYR  39           HD2      TYR  39 -34.962  -6.090 -10.266
  296    HE1  TYR  39           HE1      TYR  39 -39.267  -5.160  -8.075
  297    HE2  TYR  39           HE2      TYR  39 -36.143  -3.983 -10.730
  298    HH   TYR  39           HH       TYR  39 -38.661  -3.222 -10.620
  299    H    ASP  40           H        ASP  40 -36.640  -9.588  -6.724
  300    HA   ASP  40           HA       ASP  40 -35.108 -11.975  -6.372
  301   1HB   ASP  40          2HB       ASP  40 -35.926 -12.072  -3.859
  302   2HB   ASP  40          1HB       ASP  40 -34.406 -11.291  -4.285
  303    H    GLU  41           H        GLU  41 -36.700 -13.472  -4.804
  304    HA   GLU  41           HA       GLU  41 -38.873 -14.053  -6.474
  305   1HB   GLU  41          2HB       GLU  41 -38.498 -14.907  -3.598
  306   2HB   GLU  41          1HB       GLU  41 -39.515 -15.692  -4.798
  307   1HG   GLU  41          2HG       GLU  41 -37.620 -16.390  -6.061
  308   2HG   GLU  41          1HG       GLU  41 -36.534 -15.420  -5.068
  309    H    LYS  42           H        LYS  42 -38.556 -11.798  -3.912
  310    HA   LYS  42           HA       LYS  42 -41.463 -11.558  -3.588
  311   1HB   LYS  42          2HB       LYS  42 -39.191 -10.287  -2.051
  312   2HB   LYS  42          1HB       LYS  42 -40.897 -10.023  -1.720
  313   1HG   LYS  42          2HG       LYS  42 -39.787 -12.793  -1.727
  314   2HG   LYS  42          1HG       LYS  42 -39.565 -11.747  -0.324
  315   1HD   LYS  42          2HD       LYS  42 -41.737 -11.905   0.293
  316   2HD   LYS  42          1HD       LYS  42 -42.319 -11.815  -1.369
  317   1HE   LYS  42          2HE       LYS  42 -41.871 -14.139  -1.721
  318   2HE   LYS  42          1HE       LYS  42 -41.058 -14.270  -0.162
  319   1HZ   LYS  42          2HZ       LYS  42 -43.704 -13.259   0.121
  320   2HZ   LYS  42          1HZ       LYS  42 -43.707 -14.755  -0.670
  321   3HZ   LYS  42          3HZ       LYS  42 -42.987 -14.604   0.854
  322    H    ARG  43           H        ARG  43 -40.043 -10.714  -6.022
  323    HA   ARG  43           HA       ARG  43 -39.688  -8.854  -7.349
  324   1HB   ARG  43          2HB       ARG  43 -42.234  -9.460  -7.208
  325   2HB   ARG  43          1HB       ARG  43 -42.357  -7.927  -6.355
  326   1HG   ARG  43          2HG       ARG  43 -41.295  -6.816  -8.303
  327   2HG   ARG  43          1HG       ARG  43 -41.342  -8.361  -9.157
  328   1HD   ARG  43          2HD       ARG  43 -43.650  -8.349  -9.319
  329   2HD   ARG  43          1HD       ARG  43 -43.843  -7.244  -7.959
  330    HE   ARG  43           HE       ARG  43 -42.705  -5.603  -9.632
  331   1HH1  ARG  43          1HH2      ARG  43 -45.065  -8.059 -10.364
  332   2HH1  ARG  43          2HH2      ARG  43 -45.724  -7.204 -11.719
  333   1HH2  ARG  43          2HH1      ARG  43 -43.564  -4.471 -11.418
  334   2HH2  ARG  43          1HH1      ARG  43 -44.867  -5.167 -12.321
  335    H    ASN  44           H        ASN  44 -38.592  -8.483  -4.720
  336    HA   ASN  44           HA       ASN  44 -39.204  -5.702  -4.060
  337   1HB   ASN  44          2HB       ASN  44 -37.904  -7.978  -2.658
  338   2HB   ASN  44          1HB       ASN  44 -37.310  -6.371  -2.256
  339   1HD2  ASN  44          2HD2      ASN  44 -39.806  -6.166   0.123
  340   2HD2  ASN  44          1HD2      ASN  44 -38.120  -6.162  -0.254
  341    H    LEU  45           H        LEU  45 -36.675  -4.944  -3.048
  342    HA   LEU  45           HA       LEU  45 -34.830  -5.112  -5.305
  343   1HB   LEU  45          2HB       LEU  45 -36.234  -2.638  -4.387
  344   2HB   LEU  45          1HB       LEU  45 -34.606  -2.511  -5.023
  345    HG   LEU  45           HG       LEU  45 -36.615  -3.982  -6.659
  346   1HD1  LEU  45          1HD1      LEU  45 -36.527  -0.981  -6.388
  347   2HD1  LEU  45          3HD1      LEU  45 -37.342  -1.851  -7.688
  348   3HD1  LEU  45          2HD1      LEU  45 -37.888  -2.040  -6.022
  349   1HD2  LEU  45          2HD2      LEU  45 -34.359  -2.089  -7.313
  350   2HD2  LEU  45          1HD2      LEU  45 -34.293  -3.851  -7.383
  351   3HD2  LEU  45          3HD2      LEU  45 -35.346  -2.963  -8.485
  352    H    GLN  46           H        GLN  46 -33.210  -6.022  -4.142
  353    HA   GLN  46           HA       GLN  46 -32.451  -4.852  -1.575
  354   1HB   GLN  46          2HB       GLN  46 -31.376  -7.289  -3.005
  355   2HB   GLN  46          1HB       GLN  46 -30.923  -6.775  -1.384
  356   1HG   GLN  46          2HG       GLN  46 -32.992  -7.331  -0.492
  357   2HG   GLN  46          1HG       GLN  46 -33.781  -7.324  -2.069
  358   1HE2  GLN  46          2HE2      GLN  46 -32.147 -10.507  -2.932
  359   2HE2  GLN  46          1HE2      GLN  46 -32.169  -8.898  -3.561
  360    H    CYS  47           H        CYS  47 -30.377  -4.085  -1.114
  361    HA   CYS  47           HA       CYS  47 -29.018  -2.895  -3.412
  362   1HB   CYS  47          2HB       CYS  47 -29.352  -2.217  -0.555
  363   2HB   CYS  47          1HB       CYS  47 -27.774  -1.829  -1.228
  364    H    ILE  48           H        ILE  48 -27.426  -4.080  -4.263
  365    HA   ILE  48           HA       ILE  48 -25.889  -5.915  -2.628
  366    HB   ILE  48           HB       ILE  48 -25.865  -5.370  -5.589
  367   1HG1  ILE  48          2HG1      ILE  48 -27.785  -6.647  -4.436
  368   2HG1  ILE  48          1HG1      ILE  48 -27.017  -7.403  -5.829
  369   1HG2  ILE  48          3HG2      ILE  48 -24.082  -7.068  -3.896
  370   2HG2  ILE  48          2HG2      ILE  48 -24.456  -7.550  -5.551
  371   3HG2  ILE  48          1HG2      ILE  48 -23.669  -6.003  -5.239
  372   1HD1  ILE  48          2HD1      ILE  48 -25.801  -8.109  -3.267
  373   2HD1  ILE  48          1HD1      ILE  48 -27.482  -8.613  -3.444
  374   3HD1  ILE  48          3HD1      ILE  48 -26.278  -9.131  -4.624
  375    H    CYS  49           H        CYS  49 -23.929  -5.551  -1.821
  376    HA   CYS  49           HA       CYS  49 -22.473  -3.126  -2.668
  377   1HB   CYS  49          2HB       CYS  49 -22.539  -4.632  -0.059
  378   2HB   CYS  49          1HB       CYS  49 -21.278  -3.464  -0.432
  379    H    ASP  50           H        ASP  50 -20.791  -3.490  -3.946
  380    HA   ASP  50           HA       ASP  50 -19.465  -6.101  -3.892
  381   1HB   ASP  50          2HB       ASP  50 -19.986  -4.093  -5.930
  382   2HB   ASP  50          1HB       ASP  50 -18.279  -4.521  -5.901
  383    H    TYR  51           H        TYR  51 -17.466  -6.414  -3.159
  384    HA   TYR  51           HA       TYR  51 -16.113  -4.130  -1.918
  385   1HB   TYR  51          2HB       TYR  51 -16.011  -7.098  -1.476
  386   2HB   TYR  51          1HB       TYR  51 -14.812  -6.016  -0.768
  387    HD1  TYR  51           HD2      TYR  51 -18.522  -6.250  -1.113
  388    HD2  TYR  51           HD1      TYR  51 -15.221  -5.315   1.402
  389    HE1  TYR  51           HE2      TYR  51 -20.070  -5.791   0.736
  390    HE2  TYR  51           HE1      TYR  51 -16.763  -4.854   3.264
  391    HH   TYR  51           HH       TYR  51 -20.060  -5.717   3.171
  392    H    CYS  52           H        CYS  52 -15.582  -6.694  -4.276
  393    HA   CYS  52           HA       CYS  52 -13.257  -5.251  -5.242
  394   1HB   CYS  52          2HB       CYS  52 -12.455  -8.008  -5.209
  395   2HB   CYS  52          1HB       CYS  52 -11.700  -6.639  -4.415
  396    H    GLU  53           H        GLU  53 -13.848  -8.616  -5.994
  397    HA   GLU  53           HA       GLU  53 -15.655  -8.383  -8.098
  398   1HB   GLU  53          2HB       GLU  53 -14.257  -8.429 -10.067
  399   2HB   GLU  53          1HB       GLU  53 -13.852  -6.995  -9.139
  400   1HG   GLU  53          2HG       GLU  53 -12.017  -8.569  -8.117
  401   2HG   GLU  53          1HG       GLU  53 -12.264  -9.456  -9.621
  402    H    TYR  54           HN       TYR  54 -12.809  -9.940  -6.789
  403    HA   TYR  54           HA       TYR  54 -13.749 -12.550  -7.780
  404   1HB   TYR  54          2HB       TYR  54 -11.159 -11.353  -7.657
  405   2HB   TYR  54          1HB       TYR  54 -11.150 -12.739  -6.575
  406    HD1  TYR  54           HD1      TYR  54 -12.879 -12.205  -9.844
  407    HD2  TYR  54           HD2      TYR  54  -9.985 -14.425  -7.652
  408    HE1  TYR  54           HE1      TYR  54 -12.585 -13.706 -11.764
  409    HE2  TYR  54           HE2      TYR  54  -9.679 -15.929  -9.572
  410    HH   TYR  54           HH       TYR  54 -11.296 -16.620 -11.639
   
  No H/Q in entry =         410
  Start of MODEL   37
    1    HN   PCA   1           HN       PCA   1 -17.179 -13.448 -10.741
    2    HA   PCA   1           HA       PCA   1 -19.656 -13.347 -10.221
    3   1HB   PCA   1          1HB       PCA   1 -20.964 -14.276 -11.817
    4   2HB   PCA   1          2HB       PCA   1 -20.425 -15.890 -11.298
    5   1HG   PCA   1          1HG       PCA   1 -19.680 -14.470 -13.683
    6   2HG   PCA   1          2HG       PCA   1 -19.048 -16.026 -13.116
    7    H    ASP   2           H        ASP   2 -17.057 -14.652  -9.282
    8    HA   ASP   2           HA       ASP   2 -17.717 -17.080  -7.990
    9   1HB   ASP   2          2HB       ASP   2 -15.677 -16.308  -6.498
   10   2HB   ASP   2          1HB       ASP   2 -15.433 -16.820  -8.166
   11    H    LYS   3           H        LYS   3 -16.448 -14.773  -5.795
   12    HA   LYS   3           HA       LYS   3 -19.023 -14.331  -4.499
   13   1HB   LYS   3          2HB       LYS   3 -17.760 -16.473  -3.675
   14   2HB   LYS   3          1HB       LYS   3 -16.754 -15.316  -2.814
   15   1HG   LYS   3          2HG       LYS   3 -19.748 -15.426  -2.575
   16   2HG   LYS   3          1HG       LYS   3 -18.646 -16.281  -1.497
   17   1HD   LYS   3          2HD       LYS   3 -17.576 -13.858  -1.283
   18   2HD   LYS   3          1HD       LYS   3 -19.212 -13.371  -1.732
   19   1HE   LYS   3          2HE       LYS   3 -19.294 -13.426   0.590
   20   2HE   LYS   3          1HE       LYS   3 -19.965 -14.987   0.129
   21   1HZ   LYS   3          1HZ       LYS   3 -17.431 -15.659   0.344
   22   2HZ   LYS   3          3HZ       LYS   3 -17.434 -14.367   1.437
   23   3HZ   LYS   3          2HZ       LYS   3 -18.481 -15.677   1.671
   24    H    CYS   4           H        CYS   4 -19.186 -12.378  -3.635
   25    HA   CYS   4           HA       CYS   4 -17.518 -10.875  -2.179
   26   1HB   CYS   4          2HB       CYS   4 -16.607 -10.914  -4.999
   27   2HB   CYS   4          1HB       CYS   4 -16.640  -9.329  -4.232
   28    H    LYS   5           H        LYS   5 -20.200 -11.139  -2.482
   29    HA   LYS   5           HA       LYS   5 -21.014  -8.390  -3.042
   30   1HB   LYS   5          2HB       LYS   5 -22.839 -10.562  -3.990
   31   2HB   LYS   5          1HB       LYS   5 -22.722  -8.893  -4.520
   32   1HG   LYS   5          2HG       LYS   5 -20.517 -10.835  -5.101
   33   2HG   LYS   5          1HG       LYS   5 -21.962 -10.771  -6.102
   34   1HD   LYS   5          2HD       LYS   5 -20.419  -8.277  -5.479
   35   2HD   LYS   5          1HD       LYS   5 -19.909  -9.353  -6.781
   36   1HE   LYS   5          2HE       LYS   5 -22.303  -9.163  -7.649
   37   2HE   LYS   5          1HE       LYS   5 -22.484  -7.822  -6.521
   38   1HZ   LYS   5          2HZ       LYS   5 -20.169  -7.762  -8.292
   39   2HZ   LYS   5          1HZ       LYS   5 -21.680  -7.480  -8.999
   40   3HZ   LYS   5          3HZ       LYS   5 -21.137  -6.494  -7.735
   41    H    LYS   6           H        LYS   6 -21.318  -8.038  -0.844
   42    HA   LYS   6           HA       LYS   6 -23.140  -9.825   0.603
   43   1HB   LYS   6          2HB       LYS   6 -21.348  -7.578   1.520
   44   2HB   LYS   6          1HB       LYS   6 -22.469  -8.417   2.586
   45   1HG   LYS   6          2HG       LYS   6 -21.317 -10.493   2.264
   46   2HG   LYS   6          1HG       LYS   6 -20.277  -9.774   1.034
   47   1HD   LYS   6          2HD       LYS   6 -19.067  -8.549   2.586
   48   2HD   LYS   6          1HD       LYS   6 -20.355  -8.614   3.792
   49   1HE   LYS   6          2HE       LYS   6 -19.713 -10.657   4.561
   50   2HE   LYS   6          1HE       LYS   6 -19.166 -11.202   2.976
   51   1HZ   LYS   6          1HZ       LYS   6 -17.707  -9.208   4.615
   52   2HZ   LYS   6          3HZ       LYS   6 -17.367 -10.867   4.632
   53   3HZ   LYS   6          2HZ       LYS   6 -17.165  -9.976   3.209
   54    H    VAL   7           H        VAL   7 -25.218  -9.331   0.973
   55    HA   VAL   7           HA       VAL   7 -26.384  -7.034  -0.166
   56    HB   VAL   7           HB       VAL   7 -28.444  -7.838   0.441
   57   1HG1  VAL   7          2HG1      VAL   7 -27.058  -9.508  -0.825
   58   2HG1  VAL   7          1HG1      VAL   7 -26.845 -10.364   0.702
   59   3HG1  VAL   7          3HG1      VAL   7 -28.460 -10.158   0.026
   60   1HG2  VAL   7          2HG2      VAL   7 -27.112  -8.823   2.931
   61   2HG2  VAL   7          1HG2      VAL   7 -28.528  -7.785   2.749
   62   3HG2  VAL   7          3HG2      VAL   7 -28.651  -9.513   2.416
   63    H    TYR   8           H        TYR   8 -26.917  -5.091   0.609
   64    HA   TYR   8           HA       TYR   8 -25.882  -4.282   3.180
   65   1HB   TYR   8          2HB       TYR   8 -25.919  -2.849   1.058
   66   2HB   TYR   8          1HB       TYR   8 -27.649  -2.671   1.317
   67    HD1  TYR   8           HD1      TYR   8 -28.366  -1.684   3.602
   68    HD2  TYR   8           HD2      TYR   8 -24.439  -1.338   2.043
   69    HE1  TYR   8           HE1      TYR   8 -27.952   0.227   5.090
   70    HE2  TYR   8           HE2      TYR   8 -24.007   0.573   3.515
   71    HH   TYR   8           HH       TYR   8 -25.095   1.334   5.906
   72    H    GLU   9           H        GLU   9 -27.056  -5.400   4.735
   73    HA   GLU   9           HA       GLU   9 -29.713  -6.027   4.764
   74   1HB   GLU   9          2HB       GLU   9 -28.849  -5.156   7.423
   75   2HB   GLU   9          1HB       GLU   9 -29.285  -6.761   6.857
   76   1HG   GLU   9          2HG       GLU   9 -27.001  -6.935   5.858
   77   2HG   GLU   9          1HG       GLU   9 -26.604  -5.419   6.665
   78    H    ASN  10           H        ASN  10 -31.233  -4.997   6.618
   79    HA   ASN  10           HA       ASN  10 -32.904  -3.321   6.389
   80   1HB   ASN  10          2HB       ASN  10 -30.639  -2.378   8.138
   81   2HB   ASN  10          1HB       ASN  10 -32.183  -1.536   8.058
   82   1HD2  ASN  10          2HD2      ASN  10 -32.620  -3.658  10.908
   83   2HD2  ASN  10          1HD2      ASN  10 -31.873  -2.175  10.431
   84    H    TYR  11           H        TYR  11 -33.396  -2.197   4.650
   85    HA   TYR  11           HA       TYR  11 -32.283   0.357   4.123
   86   1HB   TYR  11          2HB       TYR  11 -30.567  -1.370   3.191
   87   2HB   TYR  11          1HB       TYR  11 -31.744  -1.601   1.906
   88    HD1  TYR  11           HD2      TYR  11 -29.602   0.940   3.550
   89    HD2  TYR  11           HD1      TYR  11 -31.875  -0.083   0.097
   90    HE1  TYR  11           HE2      TYR  11 -28.685   2.893   2.374
   91    HE2  TYR  11           HE1      TYR  11 -30.971   1.879  -1.078
   92    HH   TYR  11           HH       TYR  11 -29.312   3.440  -1.039
   93    HA   PRO  12           HA       PRO  12 -36.339   1.015   2.388
   94   1HB   PRO  12          2HB       PRO  12 -34.805   2.317   0.168
   95   2HB   PRO  12          1HB       PRO  12 -36.252   2.881   1.015
   96   1HG   PRO  12          2HG       PRO  12 -33.867   3.868   1.630
   97   2HG   PRO  12          1HG       PRO  12 -35.059   3.525   2.896
   98   1HD   PRO  12          2HD       PRO  12 -32.569   2.069   2.201
   99   2HD   PRO  12          1HD       PRO  12 -33.400   2.222   3.762
  100    H    VAL  13           H        VAL  13 -36.280   1.444  -0.662
  101    HA   VAL  13           HA       VAL  13 -35.568  -0.973  -1.918
  102    HB   VAL  13           HB       VAL  13 -38.289  -0.864  -0.666
  103   1HG1  VAL  13          1HG1      VAL  13 -37.764  -1.973  -3.400
  104   2HG1  VAL  13          3HG1      VAL  13 -39.049  -2.611  -2.373
  105   3HG1  VAL  13          2HG1      VAL  13 -39.067  -0.915  -2.857
  106   1HG2  VAL  13          3HG2      VAL  13 -36.067  -2.781  -0.790
  107   2HG2  VAL  13          2HG2      VAL  13 -37.325  -2.580   0.427
  108   3HG2  VAL  13          1HG2      VAL  13 -37.650  -3.518  -1.022
  109    H    SER  14           H        SER  14 -38.322   1.302  -1.916
  110    HA   SER  14           HA       SER  14 -38.663   1.390  -4.684
  111   1HB   SER  14          2HB       SER  14 -40.073   3.285  -4.317
  112   2HB   SER  14          1HB       SER  14 -40.273   2.219  -2.926
  113    HG   SER  14           HG       SER  14 -39.979   4.233  -2.099
  114    H    LYS  15           H        LYS  15 -36.211   1.442  -5.072
  115    HA   LYS  15           HA       LYS  15 -35.584   3.875  -6.312
  116   1HB   LYS  15          2HB       LYS  15 -34.841   3.730  -3.532
  117   2HB   LYS  15          1HB       LYS  15 -33.386   3.820  -4.517
  118   1HG   LYS  15          2HG       LYS  15 -34.317   5.822  -5.635
  119   2HG   LYS  15          1HG       LYS  15 -35.699   5.751  -4.541
  120   1HD   LYS  15          2HD       LYS  15 -33.774   5.709  -2.717
  121   2HD   LYS  15          1HD       LYS  15 -32.877   6.517  -4.004
  122   1HE   LYS  15          2HE       LYS  15 -35.369   7.413  -2.596
  123   2HE   LYS  15          1HE       LYS  15 -33.831   8.256  -2.756
  124   1HZ   LYS  15          2HZ       LYS  15 -34.356   8.285  -5.232
  125   2HZ   LYS  15          1HZ       LYS  15 -35.939   7.883  -4.791
  126   3HZ   LYS  15          3HZ       LYS  15 -35.248   9.324  -4.238
  127    H    CYS  16           H        CYS  16 -33.615   1.497  -4.560
  128    HA   CYS  16           HA       CYS  16 -31.587   0.608  -5.447
  129   1HB   CYS  16          2HB       CYS  16 -33.961  -0.883  -5.338
  130   2HB   CYS  16          1HB       CYS  16 -33.130  -1.411  -6.794
  131    H    GLN  17           H        GLN  17 -33.956   0.236  -8.090
  132    HA   GLN  17           HA       GLN  17 -32.151  -0.104 -10.157
  133   1HB   GLN  17          2HB       GLN  17 -34.790   1.312 -10.489
  134   2HB   GLN  17          1HB       GLN  17 -33.941   0.320 -11.665
  135   1HG   GLN  17          2HG       GLN  17 -34.504  -1.661 -10.584
  136   2HG   GLN  17          1HG       GLN  17 -34.909  -0.836  -9.081
  137   1HE2  GLN  17          2HE2      GLN  17 -38.199  -0.107  -9.975
  138   2HE2  GLN  17          1HE2      GLN  17 -36.895   0.186  -8.880
  139    H    LEU  18           H        LEU  18 -30.860   1.778  -8.853
  140    HA   LEU  18           HA       LEU  18 -30.412   3.799 -10.807
  141   1HB   LEU  18          2HB       LEU  18 -31.801   4.491  -8.235
  142   2HB   LEU  18          1HB       LEU  18 -30.677   5.636  -8.936
  143    HG   LEU  18           HG       LEU  18 -33.293   4.679 -10.081
  144   1HD1  LEU  18          2HD1      LEU  18 -32.204   7.369  -9.290
  145   2HD1  LEU  18          1HD1      LEU  18 -33.732   7.121 -10.134
  146   3HD1  LEU  18          3HD1      LEU  18 -33.507   6.469  -8.512
  147   1HD2  LEU  18          1HD2      LEU  18 -30.956   5.927 -11.449
  148   2HD2  LEU  18          3HD2      LEU  18 -32.091   4.715 -12.041
  149   3HD2  LEU  18          2HD2      LEU  18 -32.585   6.404 -11.931
  150    H    ALA  19           H        ALA  19 -28.306   3.197 -10.835
  151    HA   ALA  19           HA       ALA  19 -26.706   2.372  -8.766
  152   1HB   ALA  19          2HB       ALA  19 -26.027   3.890 -11.267
  153   2HB   ALA  19          1HB       ALA  19 -24.795   3.304 -10.150
  154   3HB   ALA  19          3HB       ALA  19 -25.870   2.162 -10.956
  155    H    ASN  20           H        ASN  20 -27.211   3.564  -6.904
  156    HA   ASN  20           HA       ASN  20 -25.478   5.720  -6.356
  157   1HB   ASN  20          2HB       ASN  20 -27.041   7.040  -7.658
  158   2HB   ASN  20          1HB       ASN  20 -28.398   6.416  -6.724
  159   1HD2  ASN  20          2HD2      ASN  20 -25.866   8.723  -4.521
  160   2HD2  ASN  20          1HD2      ASN  20 -25.282   7.377  -5.431
  161    H    GLN  21           H        GLN  21 -28.805   5.302  -5.219
  162    HA   GLN  21           HA       GLN  21 -28.134   5.320  -2.502
  163   1HB   GLN  21          2HB       GLN  21 -30.532   4.957  -4.117
  164   2HB   GLN  21          1HB       GLN  21 -30.588   4.004  -2.643
  165   1HG   GLN  21          2HG       GLN  21 -31.596   6.090  -2.174
  166   2HG   GLN  21          1HG       GLN  21 -30.025   6.081  -1.377
  167   1HE2  GLN  21          2HE2      GLN  21 -28.645   8.648  -3.326
  168   2HE2  GLN  21          1HE2      GLN  21 -28.314   7.293  -2.308
  169    H    CYS  22           H        CYS  22 -26.431   3.532  -3.671
  170    HA   CYS  22           HA       CYS  22 -26.537   1.315  -1.920
  171   1HB   CYS  22          2HB       CYS  22 -26.719   0.565  -4.843
  172   2HB   CYS  22          1HB       CYS  22 -26.751  -0.511  -3.464
  173    H    ASN  23           H        ASN  23 -25.372   2.148  -5.187
  174    HA   ASN  23           HA       ASN  23 -22.777   1.162  -4.898
  175   1HB   ASN  23          2HB       ASN  23 -24.242   2.588  -6.861
  176   2HB   ASN  23          1HB       ASN  23 -22.772   3.512  -6.576
  177   1HD2  ASN  23          2HD2      ASN  23 -21.125   1.492  -8.834
  178   2HD2  ASN  23          1HD2      ASN  23 -21.583   3.075  -8.313
  179    H    TYR  24           H        TYR  24 -23.972   4.485  -4.512
  180    HA   TYR  24           HA       TYR  24 -21.596   5.640  -3.610
  181   1HB   TYR  24          2HB       TYR  24 -22.975   7.410  -3.839
  182   2HB   TYR  24          1HB       TYR  24 -24.392   6.373  -3.776
  183    HD1  TYR  24           HD1      TYR  24 -21.809   7.430  -1.294
  184    HD2  TYR  24           HD2      TYR  24 -25.943   7.125  -2.243
  185    HE1  TYR  24           HE1      TYR  24 -22.372   8.351   0.906
  186    HE2  TYR  24           HE2      TYR  24 -26.523   8.051  -0.040
  187    HH   TYR  24           HH       TYR  24 -24.074   9.303   2.131
  188    H    ASP  25           H        ASP  25 -24.251   4.167  -1.771
  189    HA   ASP  25           HA       ASP  25 -23.220   4.601   0.785
  190   1HB   ASP  25          2HB       ASP  25 -24.999   2.393  -0.255
  191   2HB   ASP  25          1HB       ASP  25 -24.651   2.640   1.453
  192    H    CYS  26           H        CYS  26 -23.171   1.420  -0.866
  193    HA   CYS  26           HA       CYS  26 -21.341   0.247   0.840
  194   1HB   CYS  26          2HB       CYS  26 -21.530  -0.276  -2.137
  195   2HB   CYS  26          1HB       CYS  26 -20.889  -1.373  -0.919
  196    H    LYS  27           H        LYS  27 -20.770   2.207  -2.036
  197    HA   LYS  27           HA       LYS  27 -17.995   1.914  -2.200
  198   1HB   LYS  27          2HB       LYS  27 -19.251   2.877  -4.017
  199   2HB   LYS  27          1HB       LYS  27 -19.759   4.226  -3.007
  200   1HG   LYS  27          2HG       LYS  27 -17.747   5.290  -3.164
  201   2HG   LYS  27          1HG       LYS  27 -16.845   3.789  -3.383
  202   1HD   LYS  27          2HD       LYS  27 -17.279   3.699  -5.646
  203   2HD   LYS  27          1HD       LYS  27 -18.757   4.654  -5.505
  204   1HE   LYS  27          2HE       LYS  27 -16.604   5.702  -6.557
  205   2HE   LYS  27          1HE       LYS  27 -17.626   6.656  -5.483
  206   1HZ   LYS  27          3HZ       LYS  27 -15.192   5.189  -4.620
  207   2HZ   LYS  27          2HZ       LYS  27 -15.239   6.841  -4.974
  208   3HZ   LYS  27          1HZ       LYS  27 -16.132   6.232  -3.674
  209    H    LEU  28           H        LEU  28 -19.481   2.932   0.489
  210    HA   LEU  28           HA       LEU  28 -17.123   4.249   1.463
  211   1HB   LEU  28          2HB       LEU  28 -18.219   6.082   0.235
  212   2HB   LEU  28          1HB       LEU  28 -19.650   5.878   1.226
  213    HG   LEU  28           HG       LEU  28 -18.447   6.591   3.201
  214   1HD1  LEU  28          1HD1      LEU  28 -16.077   6.470   1.378
  215   2HD1  LEU  28          3HD1      LEU  28 -16.083   7.536   2.784
  216   3HD1  LEU  28          2HD1      LEU  28 -16.278   5.796   2.995
  217   1HD2  LEU  28          3HD2      LEU  28 -19.356   8.226   1.389
  218   2HD2  LEU  28          2HD2      LEU  28 -18.373   8.844   2.717
  219   3HD2  LEU  28          1HD2      LEU  28 -17.648   8.587   1.128
  220    H    ASP  29           H        ASP  29 -20.561   3.595   2.038
  221    HA   ASP  29           HA       ASP  29 -20.400   3.796   4.864
  222   1HB   ASP  29          2HB       ASP  29 -22.417   2.512   3.021
  223   2HB   ASP  29          1HB       ASP  29 -22.603   2.530   4.773
  224    H    LYS  30           H        LYS  30 -19.291   1.442   2.711
  225    HA   LYS  30           HA       LYS  30 -18.842  -0.421   4.935
  226   1HB   LYS  30          2HB       LYS  30 -20.516  -0.909   2.611
  227   2HB   LYS  30          1HB       LYS  30 -19.206  -2.070   2.688
  228   1HG   LYS  30          2HG       LYS  30 -20.964  -3.071   3.844
  229   2HG   LYS  30          1HG       LYS  30 -19.886  -2.464   5.100
  230   1HD   LYS  30          2HD       LYS  30 -21.340  -0.776   5.713
  231   2HD   LYS  30          1HD       LYS  30 -22.156  -0.761   4.149
  232   1HE   LYS  30          2HE       LYS  30 -22.402  -2.812   6.340
  233   2HE   LYS  30          1HE       LYS  30 -23.648  -1.711   5.752
  234   1HZ   LYS  30          3HZ       LYS  30 -23.022  -3.000   3.510
  235   2HZ   LYS  30          2HZ       LYS  30 -22.724  -4.225   4.638
  236   3HZ   LYS  30          1HZ       LYS  30 -24.250  -3.500   4.561
  237    H    HIS  31           H        HIS  31 -17.472   1.518   2.794
  238    HA   HIS  31           HA       HIS  31 -15.477   1.662   1.714
  239   1HB   HIS  31          2HB       HIS  31 -13.812  -0.174   3.029
  240   2HB   HIS  31          1HB       HIS  31 -14.039   1.520   3.442
  241    HD1  HIS  31           HD1      HIS  31 -14.176  -1.702   4.919
  242    HD2  HIS  31           HD2      HIS  31 -16.417   1.775   5.301
  243    HE1  HIS  31           HE1      HIS  31 -15.362  -1.907   7.126
  244    HE2  HIS  31           HE2      HIS  31 -16.782   0.167   7.294
  245    H    ALA  32           H        ALA  32 -17.359  -0.142   0.592
  246    HA   ALA  32           HA       ALA  32 -15.882  -2.480  -0.285
  247   1HB   ALA  32          1HB       ALA  32 -18.672  -1.545  -0.417
  248   2HB   ALA  32          3HB       ALA  32 -18.138  -2.467  -1.821
  249   3HB   ALA  32          2HB       ALA  32 -18.035  -3.174  -0.210
  250    H    ARG  33           H        ARG  33 -16.665  -2.727  -2.914
  251    HA   ARG  33           HA       ARG  33 -14.960  -0.725  -4.198
  252   1HB   ARG  33          2HB       ARG  33 -14.380  -3.029  -4.656
  253   2HB   ARG  33          1HB       ARG  33 -16.028  -3.391  -5.145
  254   1HG   ARG  33          2HG       ARG  33 -14.693  -3.215  -7.106
  255   2HG   ARG  33          1HG       ARG  33 -15.753  -1.809  -7.043
  256   1HD   ARG  33          2HD       ARG  33 -13.290  -1.206  -5.686
  257   2HD   ARG  33          1HD       ARG  33 -12.940  -1.840  -7.293
  258    HE   ARG  33           HE       ARG  33 -14.071   0.698  -6.664
  259   1HH1  ARG  33          1HH2      ARG  33 -14.065  -1.849  -9.036
  260   2HH1  ARG  33          2HH2      ARG  33 -14.468  -0.800 -10.354
  261   1HH2  ARG  33          2HH1      ARG  33 -14.600   2.092  -8.392
  262   2HH2  ARG  33          1HH1      ARG  33 -14.770   1.442  -9.988
  263    H    SER  34           H        SER  34 -18.215  -1.920  -4.104
  264    HA   SER  34           HA       SER  34 -19.310   0.426  -5.229
  265   1HB   SER  34          2HB       SER  34 -20.375  -0.978  -7.216
  266   2HB   SER  34          1HB       SER  34 -18.814  -0.178  -7.403
  267    HG   SER  34           HG       SER  34 -18.661  -2.315  -8.098
  268    H    GLY  35           H        GLY  35 -21.780  -0.292  -5.987
  269   1HA   GLY  35          2HA       GLY  35 -22.759  -2.353  -4.199
  270   2HA   GLY  35          1HA       GLY  35 -23.256  -0.726  -3.796
  271    H    GLU  36           H        GLU  36 -23.660  -3.432  -5.853
  272    HA   GLU  36           HA       GLU  36 -25.365  -2.183  -7.782
  273   1HB   GLU  36          2HB       GLU  36 -23.952  -4.340  -8.012
  274   2HB   GLU  36          1HB       GLU  36 -25.303  -5.134  -7.216
  275   1HG   GLU  36          2HG       GLU  36 -26.353  -5.308  -9.173
  276   2HG   GLU  36          1HG       GLU  36 -26.376  -3.552  -9.311
  277    H    CYS  37           H        CYS  37 -27.380  -4.143  -7.960
  278    HA   CYS  37           HA       CYS  37 -28.938  -4.100  -5.521
  279   1HB   CYS  37          2HB       CYS  37 -29.394  -2.230  -7.755
  280   2HB   CYS  37          1HB       CYS  37 -30.829  -3.094  -7.240
  281    H    PHE  38           H        PHE  38 -30.387  -5.879  -5.483
  282    HA   PHE  38           HA       PHE  38 -31.018  -7.153  -8.040
  283   1HB   PHE  38          2HB       PHE  38 -29.224  -8.389  -5.982
  284   2HB   PHE  38          1HB       PHE  38 -30.200  -9.400  -7.043
  285    HD1  PHE  38           HD2      PHE  38 -30.016  -8.809  -9.601
  286    HD2  PHE  38           HD1      PHE  38 -27.109  -7.798  -6.662
  287    HE1  PHE  38           HE2      PHE  38 -28.307  -8.616 -11.360
  288    HE2  PHE  38           HE1      PHE  38 -25.397  -7.601  -8.416
  289    HZ   PHE  38           HZ       PHE  38 -25.993  -8.012 -10.767
  290    H    TYR  39           H        TYR  39 -32.466  -8.906  -7.980
  291    HA   TYR  39           HA       TYR  39 -33.870  -9.724  -5.675
  292   1HB   TYR  39          2HB       TYR  39 -35.627  -8.332  -5.536
  293   2HB   TYR  39          1HB       TYR  39 -34.642  -7.273  -6.522
  294    HD1  TYR  39           HD2      TYR  39 -34.827  -8.238  -9.181
  295    HD2  TYR  39           HD1      TYR  39 -37.800  -8.073  -6.138
  296    HE1  TYR  39           HE2      TYR  39 -36.583  -8.096 -10.903
  297    HE2  TYR  39           HE1      TYR  39 -39.545  -7.913  -7.838
  298    HH   TYR  39           HH       TYR  39 -39.505  -8.789 -10.623
  299    H    ASP  40           H        ASP  40 -36.415 -10.142  -7.128
  300    HA   ASP  40           HA       ASP  40 -36.156 -11.305  -9.614
  301   1HB   ASP  40          2HB       ASP  40 -36.233 -13.795  -8.716
  302   2HB   ASP  40          1HB       ASP  40 -34.700 -12.988  -9.032
  303    H    GLU  41           H        GLU  41 -38.180 -10.571  -9.898
  304    HA   GLU  41           HA       GLU  41 -40.414 -10.947 -10.174
  305   1HB   GLU  41          2HB       GLU  41 -40.422 -12.827  -7.817
  306   2HB   GLU  41          1HB       GLU  41 -41.624 -12.673  -9.081
  307   1HG   GLU  41          2HG       GLU  41 -39.644 -13.338 -10.650
  308   2HG   GLU  41          1HG       GLU  41 -38.965 -14.006  -9.167
  309    H    LYS  42           H        LYS  42 -39.939 -11.276  -6.657
  310    HA   LYS  42           HA       LYS  42 -40.954  -8.607  -6.207
  311   1HB   LYS  42          2HB       LYS  42 -42.446 -11.116  -5.553
  312   2HB   LYS  42          1HB       LYS  42 -42.540  -9.774  -4.423
  313   1HG   LYS  42          2HG       LYS  42 -43.002  -8.841  -7.117
  314   2HG   LYS  42          1HG       LYS  42 -44.086 -10.176  -6.738
  315   1HD   LYS  42          2HD       LYS  42 -45.079  -8.010  -6.169
  316   2HD   LYS  42          1HD       LYS  42 -44.846  -9.014  -4.736
  317   1HE   LYS  42          2HE       LYS  42 -42.659  -7.144  -5.472
  318   2HE   LYS  42          1HE       LYS  42 -44.138  -6.448  -4.810
  319   1HZ   LYS  42          2HZ       LYS  42 -43.660  -8.494  -3.125
  320   2HZ   LYS  42          1HZ       LYS  42 -42.088  -7.993  -3.500
  321   3HZ   LYS  42          3HZ       LYS  42 -43.196  -6.891  -2.851
  322    H    ARG  43           H        ARG  43 -38.458 -10.102  -5.839
  323    HA   ARG  43           HA       ARG  43 -38.162 -10.806  -3.146
  324   1HB   ARG  43          2HB       ARG  43 -36.436 -10.578  -5.450
  325   2HB   ARG  43          1HB       ARG  43 -35.618 -10.015  -4.003
  326   1HG   ARG  43          2HG       ARG  43 -36.833 -12.722  -4.483
  327   2HG   ARG  43          1HG       ARG  43 -35.126 -12.325  -4.287
  328   1HD   ARG  43          2HD       ARG  43 -36.116 -11.346  -1.971
  329   2HD   ARG  43          1HD       ARG  43 -37.242 -12.673  -2.255
  330    HE   ARG  43           HE       ARG  43 -34.378 -13.236  -2.389
  331   1HH1  ARG  43          1HH2      ARG  43 -37.424 -13.502  -0.721
  332   2HH1  ARG  43          2HH2      ARG  43 -36.886 -14.767   0.334
  333   1HH2  ARG  43          2HH1      ARG  43 -33.655 -14.901  -0.996
  334   2HH2  ARG  43          1HH1      ARG  43 -34.742 -15.557   0.181
  335    H    ASN  44           H        ASN  44 -39.273  -8.102  -3.920
  336    HA   ASN  44           HA       ASN  44 -39.371  -6.034  -3.008
  337   1HB   ASN  44          2HB       ASN  44 -37.730  -7.363  -0.855
  338   2HB   ASN  44          1HB       ASN  44 -38.301  -5.703  -0.740
  339   1HD2  ASN  44          2HD2      ASN  44 -41.742  -6.651  -0.476
  340   2HD2  ASN  44          1HD2      ASN  44 -40.716  -5.500  -1.257
  341    H    LEU  45           H        LEU  45 -36.441  -7.418  -3.855
  342    HA   LEU  45           HA       LEU  45 -34.496  -6.600  -4.651
  343   1HB   LEU  45          2HB       LEU  45 -35.975  -5.531  -6.227
  344   2HB   LEU  45          1HB       LEU  45 -36.377  -4.284  -5.079
  345    HG   LEU  45           HG       LEU  45 -34.391  -3.116  -5.422
  346   1HD1  LEU  45          1HD1      LEU  45 -33.297  -5.706  -6.293
  347   2HD1  LEU  45          3HD1      LEU  45 -32.659  -4.283  -7.068
  348   3HD1  LEU  45          2HD1      LEU  45 -32.565  -4.454  -5.321
  349   1HD2  LEU  45          3HD2      LEU  45 -35.380  -4.308  -7.998
  350   2HD2  LEU  45          2HD2      LEU  45 -35.790  -2.753  -7.276
  351   3HD2  LEU  45          1HD2      LEU  45 -34.183  -3.021  -7.950
  352    H    GLN  46           H        GLN  46 -32.631  -5.905  -3.853
  353    HA   GLN  46           HA       GLN  46 -32.684  -3.800  -1.802
  354   1HB   GLN  46          2HB       GLN  46 -31.616  -6.594  -1.420
  355   2HB   GLN  46          1HB       GLN  46 -31.139  -5.252  -0.391
  356   1HG   GLN  46          2HG       GLN  46 -32.833  -6.201   0.825
  357   2HG   GLN  46          1HG       GLN  46 -33.695  -4.941  -0.055
  358   1HE2  GLN  46          2HE2      GLN  46 -34.298  -8.882  -0.964
  359   2HE2  GLN  46          1HE2      GLN  46 -32.864  -8.371  -0.144
  360    H    CYS  47           H        CYS  47 -30.531  -3.110  -1.120
  361    HA   CYS  47           HA       CYS  47 -28.836  -2.578  -3.388
  362   1HB   CYS  47          2HB       CYS  47 -28.841  -1.741  -0.494
  363   2HB   CYS  47          1HB       CYS  47 -27.543  -1.283  -1.568
  364    H    ILE  48           H        ILE  48 -27.384  -4.103  -4.003
  365    HA   ILE  48           HA       ILE  48 -26.137  -5.803  -1.985
  366    HB   ILE  48           HB       ILE  48 -26.442  -5.978  -4.944
  367   1HG1  ILE  48          2HG1      ILE  48 -27.254  -8.187  -4.433
  368   2HG1  ILE  48          1HG1      ILE  48 -26.651  -8.083  -2.784
  369   1HG2  ILE  48          3HG2      ILE  48 -24.235  -7.269  -3.366
  370   2HG2  ILE  48          2HG2      ILE  48 -24.834  -7.943  -4.882
  371   3HG2  ILE  48          1HG2      ILE  48 -24.115  -6.333  -4.856
  372   1HD1  ILE  48          1HD1      ILE  48 -28.655  -6.093  -3.712
  373   2HD1  ILE  48          3HD1      ILE  48 -29.178  -7.731  -3.315
  374   3HD1  ILE  48          2HD1      ILE  48 -28.371  -6.743  -2.097
  375    H    CYS  49           H        CYS  49 -24.148  -5.498  -1.220
  376    HA   CYS  49           HA       CYS  49 -22.485  -3.376  -2.319
  377   1HB   CYS  49          2HB       CYS  49 -22.251  -5.028   0.181
  378   2HB   CYS  49          1HB       CYS  49 -21.039  -3.862  -0.321
  379    H    ASP  50           H        ASP  50 -21.038  -3.759  -3.801
  380    HA   ASP  50           HA       ASP  50 -19.958  -6.449  -4.159
  381   1HB   ASP  50          2HB       ASP  50 -20.793  -5.364  -6.160
  382   2HB   ASP  50          1HB       ASP  50 -19.783  -3.952  -5.861
  383    H    TYR  51           H        TYR  51 -18.094  -6.997  -3.326
  384    HA   TYR  51           HA       TYR  51 -16.257  -4.918  -2.387
  385   1HB   TYR  51          2HB       TYR  51 -16.717  -7.791  -1.670
  386   2HB   TYR  51          1HB       TYR  51 -15.199  -7.004  -1.246
  387    HD1  TYR  51           HD1      TYR  51 -18.879  -6.737  -0.848
  388    HD2  TYR  51           HD2      TYR  51 -15.057  -5.663   0.674
  389    HE1  TYR  51           HE1      TYR  51 -19.949  -5.797   1.156
  390    HE2  TYR  51           HE2      TYR  51 -16.114  -4.721   2.684
  391    HH   TYR  51           HH       TYR  51 -18.017  -4.461   3.815
  392    H    CYS  52           H        CYS  52 -16.565  -7.265  -4.869
  393    HA   CYS  52           HA       CYS  52 -13.806  -6.719  -5.695
  394   1HB   CYS  52          2HB       CYS  52 -14.900  -9.522  -5.804
  395   2HB   CYS  52          1HB       CYS  52 -13.234  -8.988  -6.013
  396    H    GLU  53           H        GLU  53 -15.684  -5.392  -6.903
  397    HA   GLU  53           HA       GLU  53 -17.063  -5.175  -8.774
  398   1HB   GLU  53          2HB       GLU  53 -14.907  -4.374  -9.462
  399   2HB   GLU  53          1HB       GLU  53 -14.341  -6.006  -9.772
  400   1HG   GLU  53          2HG       GLU  53 -16.707  -5.467 -11.326
  401   2HG   GLU  53          1HG       GLU  53 -15.503  -4.215 -11.603
  402    H    TYR  54           HN       TYR  54 -15.137  -7.602 -10.369
  403    HA   TYR  54           HA       TYR  54 -17.433  -8.960 -11.332
  404   1HB   TYR  54          2HB       TYR  54 -14.745  -8.833 -12.036
  405   2HB   TYR  54          1HB       TYR  54 -14.951 -10.501 -11.513
  406    HD1  TYR  54           HD2      TYR  54 -16.996  -8.057 -13.485
  407    HD2  TYR  54           HD1      TYR  54 -15.289 -11.950 -13.271
  408    HE1  TYR  54           HE2      TYR  54 -17.979  -8.603 -15.672
  409    HE2  TYR  54           HE1      TYR  54 -16.270 -12.504 -15.457
  410    HH   TYR  54           HH       TYR  54 -18.685 -10.767 -16.887
   
  No H/Q in entry =         410
  Start of MODEL   38
    1    HN   PCA   1           HN       PCA   1 -14.318 -12.182   0.340
    2    HA   PCA   1           HA       PCA   1 -12.708 -13.680   1.663
    3   1HB   PCA   1          1HB       PCA   1 -13.368 -14.251   3.751
    4   2HB   PCA   1          2HB       PCA   1 -14.835 -15.037   3.120
    5   1HG   PCA   1          1HG       PCA   1 -14.536 -12.376   4.287
    6   2HG   PCA   1          2HG       PCA   1 -16.026 -13.214   3.816
    7    H    ASP   2           H        ASP   2 -15.783 -13.998   0.133
    8    HA   ASP   2           HA       ASP   2 -14.826 -16.331  -1.316
    9   1HB   ASP   2          2HB       ASP   2 -17.102 -17.442  -1.005
   10   2HB   ASP   2          1HB       ASP   2 -16.013 -17.482   0.378
   11    H    LYS   3           H        LYS   3 -18.129 -15.094  -1.056
   12    HA   LYS   3           HA       LYS   3 -18.157 -14.618  -3.915
   13   1HB   LYS   3          2HB       LYS   3 -20.074 -15.735  -2.945
   14   2HB   LYS   3          1HB       LYS   3 -20.324 -14.407  -1.820
   15   1HG   LYS   3          2HG       LYS   3 -21.073 -12.967  -3.510
   16   2HG   LYS   3          1HG       LYS   3 -20.447 -14.003  -4.790
   17   1HD   LYS   3          2HD       LYS   3 -22.419 -15.295  -3.019
   18   2HD   LYS   3          1HD       LYS   3 -23.054 -13.949  -3.965
   19   1HE   LYS   3          2HE       LYS   3 -23.386 -15.937  -5.231
   20   2HE   LYS   3          1HE       LYS   3 -22.087 -15.030  -6.003
   21   1HZ   LYS   3          3HZ       LYS   3 -20.661 -16.564  -4.404
   22   2HZ   LYS   3          2HZ       LYS   3 -21.994 -17.585  -4.601
   23   3HZ   LYS   3          1HZ       LYS   3 -21.124 -17.062  -5.954
   24    H    CYS   4           H        CYS   4 -17.396 -12.779  -4.656
   25    HA   CYS   4           HA       CYS   4 -16.769 -10.478  -3.342
   26   1HB   CYS   4          2HB       CYS   4 -16.951 -11.328  -6.038
   27   2HB   CYS   4          1HB       CYS   4 -17.752  -9.765  -5.958
   28    H    LYS   5           H        LYS   5 -19.926 -11.464  -4.476
   29    HA   LYS   5           HA       LYS   5 -21.089  -8.861  -3.927
   30   1HB   LYS   5          2HB       LYS   5 -22.335 -11.427  -4.909
   31   2HB   LYS   5          1HB       LYS   5 -23.172  -9.889  -4.769
   32   1HG   LYS   5          2HG       LYS   5 -21.759  -8.905  -6.443
   33   2HG   LYS   5          1HG       LYS   5 -20.760 -10.358  -6.508
   34   1HD   LYS   5          2HD       LYS   5 -22.566 -11.639  -7.414
   35   2HD   LYS   5          1HD       LYS   5 -23.701 -10.314  -7.154
   36   1HE   LYS   5          2HE       LYS   5 -21.300  -9.869  -8.868
   37   2HE   LYS   5          1HE       LYS   5 -22.677 -10.750  -9.526
   38   1HZ   LYS   5          2HZ       LYS   5 -24.064  -8.810  -8.787
   39   2HZ   LYS   5          1HZ       LYS   5 -22.622  -7.972  -8.505
   40   3HZ   LYS   5          3HZ       LYS   5 -23.003  -8.498 -10.066
   41    H    LYS   6           H        LYS   6 -22.265  -8.304  -2.216
   42    HA   LYS   6           HA       LYS   6 -23.380 -10.328  -0.441
   43   1HB   LYS   6          2HB       LYS   6 -21.477  -8.193   0.546
   44   2HB   LYS   6          1HB       LYS   6 -22.443  -9.236   1.573
   45   1HG   LYS   6          2HG       LYS   6 -20.599 -10.517   1.640
   46   2HG   LYS   6          1HG       LYS   6 -21.142 -11.078   0.061
   47   1HD   LYS   6          2HD       LYS   6 -19.668  -9.580  -1.067
   48   2HD   LYS   6          1HD       LYS   6 -19.290  -8.727   0.432
   49   1HE   LYS   6          2HE       LYS   6 -17.664 -10.555  -0.581
   50   2HE   LYS   6          1HE       LYS   6 -17.861 -10.348   1.159
   51   1HZ   LYS   6          3HZ       LYS   6 -19.724 -12.096   0.845
   52   2HZ   LYS   6          2HZ       LYS   6 -18.904 -12.474  -0.584
   53   3HZ   LYS   6          1HZ       LYS   6 -18.110 -12.603   0.903
   54    H    VAL   7           H        VAL   7 -25.403  -9.747   0.007
   55    HA   VAL   7           HA       VAL   7 -26.531  -7.315  -0.802
   56    HB   VAL   7           HB       VAL   7 -28.558  -8.027   0.142
   57   1HG1  VAL   7          2HG1      VAL   7 -27.710  -9.477  -1.662
   58   2HG1  VAL   7          1HG1      VAL   7 -27.026 -10.556  -0.447
   59   3HG1  VAL   7          3HG1      VAL   7 -28.773 -10.334  -0.546
   60   1HG2  VAL   7          2HG2      VAL   7 -26.830  -9.473   2.104
   61   2HG2  VAL   7          1HG2      VAL   7 -28.195  -8.392   2.392
   62   3HG2  VAL   7          3HG2      VAL   7 -28.475 -10.033   1.808
   63    H    TYR   8           H        TYR   8 -27.211  -5.496   0.303
   64    HA   TYR   8           HA       TYR   8 -25.695  -4.890   2.705
   65   1HB   TYR   8          2HB       TYR   8 -25.730  -3.226   0.929
   66   2HB   TYR   8          1HB       TYR   8 -27.484  -3.179   0.970
   67    HD1  TYR   8           HD1      TYR   8 -26.177  -3.377   4.300
   68    HD2  TYR   8           HD2      TYR   8 -26.887  -0.673   1.086
   69    HE1  TYR   8           HE1      TYR   8 -26.098  -1.501   5.866
   70    HE2  TYR   8           HE2      TYR   8 -26.802   1.212   2.656
   71    HH   TYR   8           HH       TYR   8 -25.914   1.750   4.836
   72    H    GLU   9           H        GLU   9 -27.197  -6.707   3.585
   73    HA   GLU   9           HA       GLU   9 -29.105  -7.373   4.709
   74   1HB   GLU   9          2HB       GLU   9 -28.226  -4.906   6.208
   75   2HB   GLU   9          1HB       GLU   9 -29.200  -6.209   6.871
   76   1HG   GLU   9          2HG       GLU   9 -27.437  -7.654   7.007
   77   2HG   GLU   9          1HG       GLU   9 -26.563  -6.881   5.684
   78    H    ASN  10           H        ASN  10 -30.784  -5.782   6.344
   79    HA   ASN  10           HA       ASN  10 -32.921  -5.298   4.634
   80   1HB   ASN  10          2HB       ASN  10 -34.076  -4.432   6.548
   81   2HB   ASN  10          1HB       ASN  10 -33.050  -5.758   7.089
   82   1HD2  ASN  10          2HD2      ASN  10 -31.365  -3.845   9.400
   83   2HD2  ASN  10          1HD2      ASN  10 -31.806  -5.395   8.779
   84    H    TYR  11           H        TYR  11 -30.646  -3.770   3.674
   85    HA   TYR  11           HA       TYR  11 -30.682  -1.076   4.242
   86   1HB   TYR  11          2HB       TYR  11 -29.024  -1.650   2.741
   87   2HB   TYR  11          1HB       TYR  11 -30.098  -2.642   1.764
   88    HD1  TYR  11           HD1      TYR  11 -29.052   0.822   2.496
   89    HD2  TYR  11           HD2      TYR  11 -31.317  -1.702  -0.071
   90    HE1  TYR  11           HE1      TYR  11 -29.319   2.682   0.916
   91    HE2  TYR  11           HE2      TYR  11 -31.586   0.154  -1.664
   92    HH   TYR  11           HH       TYR  11 -29.919   3.218  -1.219
   93    HA   PRO  12           HA       PRO  12 -34.772   0.583   3.459
   94   1HB   PRO  12          2HB       PRO  12 -33.142   2.375   1.683
   95   2HB   PRO  12          1HB       PRO  12 -34.484   2.790   2.758
   96   1HG   PRO  12          2HG       PRO  12 -31.906   3.144   3.476
   97   2HG   PRO  12          1HG       PRO  12 -33.173   2.729   4.643
   98   1HD   PRO  12          2HD       PRO  12 -30.928   1.108   3.712
   99   2HD   PRO  12          1HD       PRO  12 -32.017   0.820   5.080
  100    H    VAL  13           H        VAL  13 -35.295  -1.379   2.299
  101    HA   VAL  13           HA       VAL  13 -34.715  -1.957  -0.347
  102    HB   VAL  13           HB       VAL  13 -37.306  -2.553   1.081
  103   1HG1  VAL  13          3HG1      VAL  13 -35.948  -3.808  -1.292
  104   2HG1  VAL  13          2HG1      VAL  13 -37.267  -4.573  -0.406
  105   3HG1  VAL  13          1HG1      VAL  13 -37.533  -3.040  -1.234
  106   1HG2  VAL  13          2HG2      VAL  13 -35.160  -3.179   2.286
  107   2HG2  VAL  13          1HG2      VAL  13 -36.309  -4.484   1.987
  108   3HG2  VAL  13          3HG2      VAL  13 -34.877  -4.319   0.970
  109    H    SER  14           H        SER  14 -36.639   0.566   0.882
  110    HA   SER  14           HA       SER  14 -38.570   0.822  -1.131
  111   1HB   SER  14          2HB       SER  14 -38.662   3.232  -0.398
  112   2HB   SER  14          1HB       SER  14 -38.846   2.055   0.902
  113    HG   SER  14           HG       SER  14 -36.896   2.559   1.663
  114    H    LYS  15           H        LYS  15 -36.377   3.501  -0.855
  115    HA   LYS  15           HA       LYS  15 -36.302   3.906  -3.650
  116   1HB   LYS  15          2HB       LYS  15 -34.600   5.127  -1.474
  117   2HB   LYS  15          1HB       LYS  15 -34.679   5.699  -3.135
  118   1HG   LYS  15          2HG       LYS  15 -37.302   5.723  -2.501
  119   2HG   LYS  15          1HG       LYS  15 -36.594   6.044  -0.920
  120   1HD   LYS  15          2HD       LYS  15 -36.931   8.167  -1.872
  121   2HD   LYS  15          1HD       LYS  15 -35.209   7.845  -2.073
  122   1HE   LYS  15          2HE       LYS  15 -37.074   7.080  -4.273
  123   2HE   LYS  15          1HE       LYS  15 -36.669   8.781  -4.058
  124   1HZ   LYS  15          2HZ       LYS  15 -34.319   7.233  -3.929
  125   2HZ   LYS  15          1HZ       LYS  15 -35.168   6.827  -5.335
  126   3HZ   LYS  15          3HZ       LYS  15 -34.736   8.437  -5.042
  127    H    CYS  16           H        CYS  16 -34.534   3.918  -5.070
  128    HA   CYS  16           HA       CYS  16 -31.986   2.906  -4.514
  129   1HB   CYS  16          2HB       CYS  16 -33.927   0.862  -4.716
  130   2HB   CYS  16          1HB       CYS  16 -32.989   0.791  -6.204
  131    H    GLN  17           H        GLN  17 -34.252   2.374  -7.220
  132    HA   GLN  17           HA       GLN  17 -34.160   2.981  -9.406
  133   1HB   GLN  17          2HB       GLN  17 -32.580   5.387  -8.529
  134   2HB   GLN  17          1HB       GLN  17 -33.701   5.250  -9.878
  135   1HG   GLN  17          2HG       GLN  17 -34.571   4.964  -7.023
  136   2HG   GLN  17          1HG       GLN  17 -34.503   6.522  -7.848
  137   1HE2  GLN  17          2HE2      GLN  17 -37.312   5.936  -9.877
  138   2HE2  GLN  17          1HE2      GLN  17 -35.844   6.830  -9.703
  139    H    LEU  18           H        LEU  18 -31.977   1.396  -8.263
  140    HA   LEU  18           HA       LEU  18 -29.794   0.751  -8.705
  141   1HB   LEU  18          2HB       LEU  18 -31.064   1.124 -11.409
  142   2HB   LEU  18          1HB       LEU  18 -29.532   0.311 -11.179
  143    HG   LEU  18           HG       LEU  18 -32.048  -0.617  -9.807
  144   1HD1  LEU  18          2HD1      LEU  18 -31.127  -1.099 -12.606
  145   2HD1  LEU  18          1HD1      LEU  18 -32.003  -2.356 -11.732
  146   3HD1  LEU  18          3HD1      LEU  18 -32.751  -0.780 -11.995
  147   1HD2  LEU  18          3HD2      LEU  18 -29.293  -1.657 -10.161
  148   2HD2  LEU  18          2HD2      LEU  18 -30.396  -1.805  -8.798
  149   3HD2  LEU  18          1HD2      LEU  18 -30.609  -2.825 -10.220
  150    H    ALA  19           H        ALA  19 -28.884   2.816  -7.872
  151    HA   ALA  19           HA       ALA  19 -26.915   3.847  -9.580
  152   1HB   ALA  19          2HB       ALA  19 -28.854   5.009 -10.626
  153   2HB   ALA  19          1HB       ALA  19 -29.144   5.821  -9.091
  154   3HB   ALA  19          3HB       ALA  19 -27.645   6.108  -9.973
  155    H    ASN  20           H        ASN  20 -27.037   6.555  -8.394
  156    HA   ASN  20           HA       ASN  20 -25.259   6.723  -6.547
  157   1HB   ASN  20          2HB       ASN  20 -26.543   8.676  -7.073
  158   2HB   ASN  20          1HB       ASN  20 -27.977   8.013  -6.296
  159   1HD2  ASN  20          2HD2      ASN  20 -24.980   8.857  -3.672
  160   2HD2  ASN  20          1HD2      ASN  20 -24.710   7.843  -5.045
  161    H    GLN  21           H        GLN  21 -27.929   7.232  -4.555
  162    HA   GLN  21           HA       GLN  21 -27.547   6.415  -2.237
  163   1HB   GLN  21          2HB       GLN  21 -29.711   4.725  -3.429
  164   2HB   GLN  21          1HB       GLN  21 -29.690   5.587  -1.898
  165   1HG   GLN  21          2HG       GLN  21 -30.148   6.663  -4.652
  166   2HG   GLN  21          1HG       GLN  21 -31.177   6.785  -3.226
  167   1HE2  GLN  21          2HE2      GLN  21 -28.636   9.148  -1.797
  168   2HE2  GLN  21          1HE2      GLN  21 -29.089   7.524  -1.420
  169    H    CYS  22           H        CYS  22 -28.486   3.598  -4.182
  170    HA   CYS  22           HA       CYS  22 -27.378   1.687  -2.488
  171   1HB   CYS  22          2HB       CYS  22 -29.039   1.404  -4.440
  172   2HB   CYS  22          1HB       CYS  22 -27.611   1.292  -5.462
  173    H    ASN  23           H        ASN  23 -26.105   2.462  -5.727
  174    HA   ASN  23           HA       ASN  23 -23.680   1.207  -5.514
  175   1HB   ASN  23          2HB       ASN  23 -24.819   2.613  -7.469
  176   2HB   ASN  23          1HB       ASN  23 -23.726   3.865  -6.882
  177   1HD2  ASN  23          2HD2      ASN  23 -21.814   2.251  -9.465
  178   2HD2  ASN  23          1HD2      ASN  23 -23.126   3.358  -9.268
  179    H    TYR  24           H        TYR  24 -24.212   4.688  -4.912
  180    HA   TYR  24           HA       TYR  24 -21.709   5.302  -3.924
  181   1HB   TYR  24          2HB       TYR  24 -22.997   7.185  -4.242
  182   2HB   TYR  24          1HB       TYR  24 -24.436   6.449  -3.544
  183    HD1  TYR  24           HD2      TYR  24 -21.191   8.028  -2.728
  184    HD2  TYR  24           HD1      TYR  24 -24.963   6.725  -1.256
  185    HE1  TYR  24           HE2      TYR  24 -20.763   9.203  -0.610
  186    HE2  TYR  24           HE1      TYR  24 -24.544   7.891   0.865
  187    HH   TYR  24           HH       TYR  24 -21.999  10.133   1.262
  188    H    ASP  25           H        ASP  25 -24.565   4.191  -2.107
  189    HA   ASP  25           HA       ASP  25 -23.527   4.249   0.446
  190   1HB   ASP  25          2HB       ASP  25 -25.532   2.442  -0.873
  191   2HB   ASP  25          1HB       ASP  25 -25.036   2.146   0.788
  192    H    CYS  26           H        CYS  26 -23.521   1.365  -1.690
  193    HA   CYS  26           HA       CYS  26 -21.886  -0.193  -0.076
  194   1HB   CYS  26          2HB       CYS  26 -21.923  -0.131  -3.106
  195   2HB   CYS  26          1HB       CYS  26 -21.279  -1.436  -2.117
  196    H    LYS  27           H        LYS  27 -20.948   1.890  -2.781
  197    HA   LYS  27           HA       LYS  27 -18.184   1.608  -2.521
  198   1HB   LYS  27          2HB       LYS  27 -19.983   3.017  -4.172
  199   2HB   LYS  27          1HB       LYS  27 -18.864   4.218  -3.549
  200   1HG   LYS  27          2HG       LYS  27 -16.984   2.949  -4.388
  201   2HG   LYS  27          1HG       LYS  27 -18.065   1.665  -4.931
  202   1HD   LYS  27          2HD       LYS  27 -19.037   4.085  -6.056
  203   2HD   LYS  27          1HD       LYS  27 -17.292   4.080  -6.300
  204   1HE   LYS  27          2HE       LYS  27 -19.034   1.728  -6.994
  205   2HE   LYS  27          1HE       LYS  27 -18.706   3.039  -8.126
  206   1HZ   LYS  27          2HZ       LYS  27 -16.271   2.547  -7.643
  207   2HZ   LYS  27          1HZ       LYS  27 -16.809   1.089  -6.976
  208   3HZ   LYS  27          3HZ       LYS  27 -17.110   1.435  -8.603
  209    H    LEU  28           H        LEU  28 -19.856   2.564   0.007
  210    HA   LEU  28           HA       LEU  28 -17.679   4.111   1.055
  211   1HB   LEU  28          2HB       LEU  28 -18.806   5.852  -0.203
  212   2HB   LEU  28          1HB       LEU  28 -20.322   5.484   0.595
  213    HG   LEU  28           HG       LEU  28 -19.186   7.531   1.449
  214   1HD1  LEU  28          1HD1      LEU  28 -20.645   5.753   2.825
  215   2HD1  LEU  28          3HD1      LEU  28 -19.156   5.700   3.770
  216   3HD1  LEU  28          2HD1      LEU  28 -19.998   7.229   3.534
  217   1HD2  LEU  28          2HD2      LEU  28 -16.879   6.380   1.208
  218   2HD2  LEU  28          1HD2      LEU  28 -17.154   7.491   2.549
  219   3HD2  LEU  28          3HD2      LEU  28 -17.215   5.749   2.819
  220    H    ASP  29           H        ASP  29 -21.152   3.492   1.596
  221    HA   ASP  29           HA       ASP  29 -20.967   3.621   4.410
  222   1HB   ASP  29          2HB       ASP  29 -23.009   3.142   2.439
  223   2HB   ASP  29          1HB       ASP  29 -23.165   1.947   3.719
  224    H    LYS  30           H        LYS  30 -19.987   1.217   2.214
  225    HA   LYS  30           HA       LYS  30 -19.560  -0.651   4.446
  226   1HB   LYS  30          2HB       LYS  30 -21.292  -1.063   2.204
  227   2HB   LYS  30          1HB       LYS  30 -19.948  -2.186   2.068
  228   1HG   LYS  30          2HG       LYS  30 -21.555  -3.355   3.274
  229   2HG   LYS  30          1HG       LYS  30 -20.433  -2.779   4.507
  230   1HD   LYS  30          2HD       LYS  30 -21.938  -0.936   5.029
  231   2HD   LYS  30          1HD       LYS  30 -23.045  -1.465   3.760
  232   1HE   LYS  30          2HE       LYS  30 -24.018  -2.407   5.619
  233   2HE   LYS  30          1HE       LYS  30 -22.989  -3.727   5.066
  234   1HZ   LYS  30          3HZ       LYS  30 -21.276  -2.786   6.658
  235   2HZ   LYS  30          2HZ       LYS  30 -22.534  -1.878   7.329
  236   3HZ   LYS  30          1HZ       LYS  30 -22.608  -3.568   7.351
  237    H    HIS  31           H        HIS  31 -18.013   1.317   2.579
  238    HA   HIS  31           HA       HIS  31 -15.999   1.416   1.502
  239   1HB   HIS  31          2HB       HIS  31 -15.068  -0.831   3.257
  240   2HB   HIS  31          1HB       HIS  31 -14.215   0.632   2.777
  241    HD1  HIS  31           HD1      HIS  31 -15.658  -0.801   5.642
  242    HD2  HIS  31           HD2      HIS  31 -15.715   3.016   4.001
  243    HE1  HIS  31           HE1      HIS  31 -16.305   0.732   7.528
  244    HE2  HIS  31           HE2      HIS  31 -16.424   3.024   6.487
  245    H    ALA  32           H        ALA  32 -17.875  -0.294   0.223
  246    HA   ALA  32           HA       ALA  32 -16.418  -2.652  -0.631
  247   1HB   ALA  32          1HB       ALA  32 -18.989  -2.393  -0.293
  248   2HB   ALA  32          3HB       ALA  32 -18.947  -1.721  -1.923
  249   3HB   ALA  32          2HB       ALA  32 -18.374  -3.363  -1.631
  250    H    ARG  33           H        ARG  33 -16.904  -2.910  -3.259
  251    HA   ARG  33           HA       ARG  33 -15.227  -0.811  -4.417
  252   1HB   ARG  33          2HB       ARG  33 -14.861  -3.413  -4.609
  253   2HB   ARG  33          1HB       ARG  33 -16.034  -3.274  -5.912
  254   1HG   ARG  33          2HG       ARG  33 -14.241  -1.226  -6.437
  255   2HG   ARG  33          1HG       ARG  33 -13.214  -2.535  -5.858
  256   1HD   ARG  33          2HD       ARG  33 -14.397  -4.033  -7.506
  257   2HD   ARG  33          1HD       ARG  33 -15.142  -2.579  -8.171
  258    HE   ARG  33           HE       ARG  33 -12.412  -3.445  -8.502
  259   1HH1  ARG  33          1HH2      ARG  33 -14.616  -0.752  -8.608
  260   2HH1  ARG  33          2HH2      ARG  33 -13.645   0.167  -9.709
  261   1HH2  ARG  33          2HH1      ARG  33 -11.127  -2.244  -9.958
  262   2HH2  ARG  33          1HH1      ARG  33 -11.664  -0.682 -10.481
  263    H    SER  34           H        SER  34 -18.282  -2.515  -5.031
  264    HA   SER  34           HA       SER  34 -19.610  -0.234  -5.980
  265   1HB   SER  34          2HB       SER  34 -19.810  -0.870  -8.404
  266   2HB   SER  34          1HB       SER  34 -18.201  -0.322  -7.935
  267    HG   SER  34           HG       SER  34 -18.662  -2.470  -9.196
  268    H    GLY  35           H        GLY  35 -21.807  -0.688  -6.643
  269   1HA   GLY  35          2HA       GLY  35 -22.691  -3.439  -6.667
  270   2HA   GLY  35          1HA       GLY  35 -23.130  -2.565  -5.210
  271    H    GLU  36           H        GLU  36 -25.306  -3.141  -5.956
  272    HA   GLU  36           HA       GLU  36 -26.642  -0.924  -7.026
  273   1HB   GLU  36          2HB       GLU  36 -25.563  -2.663  -9.010
  274   2HB   GLU  36          1HB       GLU  36 -27.309  -2.869  -9.034
  275   1HG   GLU  36          2HG       GLU  36 -27.522  -0.391  -9.219
  276   2HG   GLU  36          1HG       GLU  36 -25.769  -0.311  -9.392
  277    H    CYS  37           H        CYS  37 -29.016  -1.611  -7.653
  278    HA   CYS  37           HA       CYS  37 -29.923  -3.276  -5.463
  279   1HB   CYS  37          2HB       CYS  37 -30.920  -0.973  -6.733
  280   2HB   CYS  37          1HB       CYS  37 -32.090  -2.247  -7.060
  281    H    PHE  38           H        PHE  38 -31.338  -5.010  -5.639
  282    HA   PHE  38           HA       PHE  38 -31.896  -6.135  -8.258
  283   1HB   PHE  38          2HB       PHE  38 -30.018  -7.377  -6.276
  284   2HB   PHE  38          1HB       PHE  38 -31.019  -8.412  -7.287
  285    HD1  PHE  38           HD1      PHE  38 -28.513  -5.686  -7.428
  286    HD2  PHE  38           HD2      PHE  38 -30.393  -8.909  -9.473
  287    HE1  PHE  38           HE1      PHE  38 -26.887  -5.466  -9.259
  288    HE2  PHE  38           HE2      PHE  38 -28.769  -8.698 -11.308
  289    HZ   PHE  38           HZ       PHE  38 -27.012  -6.973 -11.203
  290    H    TYR  39           H        TYR  39 -33.633  -7.557  -8.255
  291    HA   TYR  39           HA       TYR  39 -35.432  -7.240  -6.068
  292   1HB   TYR  39          2HB       TYR  39 -35.537  -8.525  -8.749
  293   2HB   TYR  39          1HB       TYR  39 -36.740  -9.009  -7.553
  294    HD1  TYR  39           HD1      TYR  39 -38.263  -7.320  -6.592
  295    HD2  TYR  39           HD2      TYR  39 -35.639  -6.384  -9.800
  296    HE1  TYR  39           HE1      TYR  39 -39.581  -5.297  -7.065
  297    HE2  TYR  39           HE2      TYR  39 -36.948  -4.360 -10.291
  298    HH   TYR  39           HH       TYR  39 -38.840  -3.237  -9.847
  299    H    ASP  40           H        ASP  40 -35.506 -10.391  -7.438
  300    HA   ASP  40           HA       ASP  40 -35.487 -12.446  -6.416
  301   1HB   ASP  40          2HB       ASP  40 -33.308 -12.843  -5.085
  302   2HB   ASP  40          1HB       ASP  40 -33.179 -12.466  -6.799
  303    H    GLU  41           H        GLU  41 -34.589 -13.370  -4.056
  304    HA   GLU  41           HA       GLU  41 -35.755 -13.881  -2.151
  305   1HB   GLU  41          2HB       GLU  41 -33.639 -12.427  -1.727
  306   2HB   GLU  41          1HB       GLU  41 -34.794 -11.191  -1.253
  307   1HG   GLU  41          2HG       GLU  41 -34.780 -12.081   0.795
  308   2HG   GLU  41          1HG       GLU  41 -35.613 -13.477   0.120
  309    H    LYS  42           H        LYS  42 -37.855 -13.410  -3.418
  310    HA   LYS  42           HA       LYS  42 -40.039 -12.817  -3.221
  311   1HB   LYS  42          2HB       LYS  42 -39.345 -12.975  -0.715
  312   2HB   LYS  42          1HB       LYS  42 -39.456 -11.220  -0.763
  313   1HG   LYS  42          2HG       LYS  42 -41.796 -11.637  -1.782
  314   2HG   LYS  42          1HG       LYS  42 -41.610 -13.259  -1.109
  315   1HD   LYS  42          2HD       LYS  42 -42.660 -12.148   0.618
  316   2HD   LYS  42          1HD       LYS  42 -40.960 -11.988   1.062
  317   1HE   LYS  42          2HE       LYS  42 -41.189  -9.775  -0.392
  318   2HE   LYS  42          1HE       LYS  42 -42.876  -9.936   0.095
  319   1HZ   LYS  42          1HZ       LYS  42 -40.569  -9.893   1.964
  320   2HZ   LYS  42          3HZ       LYS  42 -41.571  -8.570   1.634
  321   3HZ   LYS  42          2HZ       LYS  42 -42.204  -9.942   2.392
  322    H    ARG  43           H        ARG  43 -39.165 -11.442  -5.105
  323    HA   ARG  43           HA       ARG  43 -38.877  -9.425  -6.155
  324   1HB   ARG  43          2HB       ARG  43 -41.496  -8.708  -4.903
  325   2HB   ARG  43          1HB       ARG  43 -40.963  -8.500  -6.564
  326   1HG   ARG  43          2HG       ARG  43 -41.810 -11.049  -5.220
  327   2HG   ARG  43          1HG       ARG  43 -42.623 -10.195  -6.534
  328   1HD   ARG  43          2HD       ARG  43 -40.574 -10.594  -7.927
  329   2HD   ARG  43          1HD       ARG  43 -39.976 -11.631  -6.635
  330    HE   ARG  43           HE       ARG  43 -41.709 -13.163  -7.098
  331   1HH1  ARG  43          1HH2      ARG  43 -41.624 -10.478  -9.316
  332   2HH1  ARG  43          2HH2      ARG  43 -42.585 -11.272 -10.515
  333   1HH2  ARG  43          2HH1      ARG  43 -42.974 -14.220  -8.676
  334   2HH2  ARG  43          1HH1      ARG  43 -43.352 -13.398 -10.153
  335    H    ASN  44           H        ASN  44 -37.637  -9.347  -3.538
  336    HA   ASN  44           HA       ASN  44 -38.273  -6.644  -2.591
  337   1HB   ASN  44          2HB       ASN  44 -36.878  -8.992  -1.424
  338   2HB   ASN  44          1HB       ASN  44 -36.289  -7.409  -0.936
  339   1HD2  ASN  44          2HD2      ASN  44 -38.731  -8.105   1.581
  340   2HD2  ASN  44          1HD2      ASN  44 -37.105  -8.480   1.133
  341    H    LEU  45           H        LEU  45 -37.040  -4.924  -3.060
  342    HA   LEU  45           HA       LEU  45 -34.809  -5.296  -4.860
  343   1HB   LEU  45          2HB       LEU  45 -36.262  -2.886  -3.807
  344   2HB   LEU  45          1HB       LEU  45 -34.789  -2.731  -4.744
  345    HG   LEU  45           HG       LEU  45 -36.505  -4.462  -6.205
  346   1HD1  LEU  45          3HD1      LEU  45 -38.332  -3.509  -4.817
  347   2HD1  LEU  45          2HD1      LEU  45 -37.924  -1.915  -5.451
  348   3HD1  LEU  45          1HD1      LEU  45 -38.494  -3.178  -6.542
  349   1HD2  LEU  45          2HD2      LEU  45 -34.781  -2.884  -7.068
  350   2HD2  LEU  45          1HD2      LEU  45 -36.322  -2.808  -7.921
  351   3HD2  LEU  45          3HD2      LEU  45 -35.901  -1.561  -6.747
  352    H    GLN  46           H        GLN  46 -33.288  -6.286  -3.519
  353    HA   GLN  46           HA       GLN  46 -32.304  -4.830  -1.195
  354   1HB   GLN  46          2HB       GLN  46 -31.347  -7.435  -2.397
  355   2HB   GLN  46          1HB       GLN  46 -30.841  -6.764  -0.853
  356   1HG   GLN  46          2HG       GLN  46 -32.913  -7.172   0.139
  357   2HG   GLN  46          1HG       GLN  46 -33.714  -7.387  -1.418
  358   1HE2  GLN  46          2HE2      GLN  46 -32.597 -10.721  -1.867
  359   2HE2  GLN  46          1HE2      GLN  46 -32.996  -9.264  -2.706
  360    H    CYS  47           H        CYS  47 -30.013  -4.344  -0.957
  361    HA   CYS  47           HA       CYS  47 -28.881  -3.375  -3.480
  362   1HB   CYS  47          2HB       CYS  47 -28.847  -2.452  -0.687
  363   2HB   CYS  47          1HB       CYS  47 -27.322  -2.257  -1.545
  364    H    ILE  48           H        ILE  48 -27.527  -4.749  -4.420
  365    HA   ILE  48           HA       ILE  48 -25.900  -6.564  -2.850
  366    HB   ILE  48           HB       ILE  48 -26.199  -6.196  -5.830
  367   1HG1  ILE  48          2HG1      ILE  48 -27.065  -8.350  -3.886
  368   2HG1  ILE  48          1HG1      ILE  48 -28.107  -7.267  -4.800
  369   1HG2  ILE  48          1HG2      ILE  48 -24.385  -8.027  -4.275
  370   2HG2  ILE  48          3HG2      ILE  48 -24.823  -8.317  -5.957
  371   3HG2  ILE  48          2HG2      ILE  48 -23.942  -6.857  -5.518
  372   1HD1  ILE  48          1HD1      ILE  48 -26.573  -8.595  -6.713
  373   2HD1  ILE  48          3HD1      ILE  48 -27.029  -9.823  -5.531
  374   3HD1  ILE  48          2HD1      ILE  48 -28.274  -8.857  -6.325
  375    H    CYS  49           H        CYS  49 -24.104  -5.801  -1.957
  376    HA   CYS  49           HA       CYS  49 -22.549  -3.723  -3.325
  377   1HB   CYS  49          2HB       CYS  49 -22.327  -4.842  -0.522
  378   2HB   CYS  49          1HB       CYS  49 -21.338  -3.538  -1.168
  379    H    ASP  50           H        ASP  50 -20.807  -4.278  -4.488
  380    HA   ASP  50           HA       ASP  50 -19.642  -6.942  -4.091
  381   1HB   ASP  50          2HB       ASP  50 -19.533  -7.067  -6.330
  382   2HB   ASP  50          1HB       ASP  50 -20.294  -5.489  -6.439
  383    H    TYR  51           H        TYR  51 -17.675  -7.303  -3.470
  384    HA   TYR  51           HA       TYR  51 -15.921  -5.013  -2.848
  385   1HB   TYR  51          2HB       TYR  51 -16.207  -7.635  -1.385
  386   2HB   TYR  51          1HB       TYR  51 -15.166  -6.297  -0.904
  387    HD1  TYR  51           HD2      TYR  51 -18.744  -7.099  -1.576
  388    HD2  TYR  51           HD1      TYR  51 -15.969  -4.798   0.681
  389    HE1  TYR  51           HE2      TYR  51 -20.585  -6.233  -0.208
  390    HE2  TYR  51           HE1      TYR  51 -17.808  -3.927   2.059
  391    HH   TYR  51           HH       TYR  51 -21.037  -5.201   1.829
  392    H    CYS  52           H        CYS  52 -15.238  -5.687  -5.209
  393    HA   CYS  52           HA       CYS  52 -13.404  -7.979  -5.147
  394   1HB   CYS  52          2HB       CYS  52 -14.390  -6.323  -7.472
  395   2HB   CYS  52          1HB       CYS  52 -13.311  -7.709  -7.599
  396    H    GLU  53           H        GLU  53 -12.851  -5.396  -3.830
  397    HA   GLU  53           HA       GLU  53 -10.773  -4.155  -5.406
  398   1HB   GLU  53          2HB       GLU  53 -10.568  -2.592  -3.679
  399   2HB   GLU  53          1HB       GLU  53 -12.276  -3.002  -3.664
  400   1HG   GLU  53          2HG       GLU  53 -11.608  -4.728  -1.866
  401   2HG   GLU  53          1HG       GLU  53 -10.135  -3.770  -1.727
  402    H    TYR  54           HN       TYR  54  -8.898  -5.127  -5.691
  403    HA   TYR  54           HA       TYR  54  -7.854  -7.325  -4.589
  404   1HB   TYR  54          2HB       TYR  54  -6.545  -6.481  -6.288
  405   2HB   TYR  54          1HB       TYR  54  -6.580  -4.842  -5.646
  406    HD1  TYR  54           HD2      TYR  54  -5.302  -4.465  -3.429
  407    HD2  TYR  54           HD1      TYR  54  -4.641  -7.771  -6.013
  408    HE1  TYR  54           HE2      TYR  54  -3.076  -4.796  -2.424
  409    HE2  TYR  54           HE1      TYR  54  -2.416  -8.117  -5.022
  410    HH   TYR  54           HH       TYR  54  -0.728  -6.098  -3.539
   
  No H/Q in entry =         410
  Start of MODEL   39
    1    HN   PCA   1           HN       PCA   1 -11.406 -17.414  -5.482
    2    HA   PCA   1           HA       PCA   1 -10.609 -15.171  -4.588
    3   1HB   PCA   1          1HB       PCA   1 -10.989 -13.409  -5.956
    4   2HB   PCA   1          2HB       PCA   1 -12.742 -13.575  -5.700
    5   1HG   PCA   1          1HG       PCA   1 -11.187 -14.352  -8.013
    6   2HG   PCA   1          2HG       PCA   1 -12.934 -14.524  -7.767
    7    H    ASP   2           H        ASP   2 -11.488 -14.345  -2.699
    8    HA   ASP   2           HA       ASP   2 -13.427 -15.840  -1.390
    9   1HB   ASP   2          2HB       ASP   2 -11.629 -14.128  -0.506
   10   2HB   ASP   2          1HB       ASP   2 -12.972 -12.992  -0.592
   11    H    LYS   3           H        LYS   3 -14.953 -13.641  -0.189
   12    HA   LYS   3           HA       LYS   3 -17.265 -13.787  -1.797
   13   1HB   LYS   3          2HB       LYS   3 -16.505 -12.177   0.620
   14   2HB   LYS   3          1HB       LYS   3 -18.033 -11.889  -0.198
   15   1HG   LYS   3          2HG       LYS   3 -18.603 -14.277   0.135
   16   2HG   LYS   3          1HG       LYS   3 -17.120 -14.457   1.076
   17   1HD   LYS   3          2HD       LYS   3 -17.895 -12.861   2.700
   18   2HD   LYS   3          1HD       LYS   3 -19.311 -12.485   1.715
   19   1HE   LYS   3          2HE       LYS   3 -20.077 -14.814   1.983
   20   2HE   LYS   3          1HE       LYS   3 -18.695 -15.127   3.031
   21   1HZ   LYS   3          2HZ       LYS   3 -19.725 -13.020   4.250
   22   2HZ   LYS   3          1HZ       LYS   3 -21.143 -13.648   3.576
   23   3HZ   LYS   3          3HZ       LYS   3 -20.201 -14.602   4.608
   24    H    CYS   4           H        CYS   4 -18.309 -12.243  -3.043
   25    HA   CYS   4           HA       CYS   4 -16.720  -9.872  -3.793
   26   1HB   CYS   4          2HB       CYS   4 -17.559 -12.067  -5.452
   27   2HB   CYS   4          1HB       CYS   4 -18.351 -10.597  -6.004
   28    H    LYS   5           H        LYS   5 -19.997 -11.288  -3.927
   29    HA   LYS   5           HA       LYS   5 -21.127  -8.587  -3.781
   30   1HB   LYS   5          2HB       LYS   5 -23.243 -10.422  -3.977
   31   2HB   LYS   5          1HB       LYS   5 -22.566  -9.449  -5.278
   32   1HG   LYS   5          2HG       LYS   5 -22.672 -11.773  -5.924
   33   2HG   LYS   5          1HG       LYS   5 -20.994 -11.236  -5.808
   34   1HD   LYS   5          2HD       LYS   5 -20.607 -12.990  -4.465
   35   2HD   LYS   5          1HD       LYS   5 -21.616 -12.206  -3.253
   36   1HE   LYS   5          2HE       LYS   5 -22.499 -14.371  -3.509
   37   2HE   LYS   5          1HE       LYS   5 -23.596 -13.310  -4.391
   38   1HZ   LYS   5          1HZ       LYS   5 -22.000 -13.951  -6.361
   39   2HZ   LYS   5          3HZ       LYS   5 -21.736 -15.326  -5.409
   40   3HZ   LYS   5          2HZ       LYS   5 -23.300 -14.940  -5.924
   41    H    LYS   6           H        LYS   6 -22.535  -7.940  -2.180
   42    HA   LYS   6           HA       LYS   6 -23.223  -9.711  -0.005
   43   1HB   LYS   6          2HB       LYS   6 -20.913  -8.005   0.155
   44   2HB   LYS   6          1HB       LYS   6 -22.100  -7.477   1.339
   45   1HG   LYS   6          2HG       LYS   6 -22.206  -9.807   2.185
   46   2HG   LYS   6          1HG       LYS   6 -20.905 -10.226   1.070
   47   1HD   LYS   6          2HD       LYS   6 -19.894  -9.806   3.180
   48   2HD   LYS   6          1HD       LYS   6 -19.532  -8.419   2.151
   49   1HE   LYS   6          2HE       LYS   6 -20.959  -7.021   3.305
   50   2HE   LYS   6          1HE       LYS   6 -21.945  -8.352   3.908
   51   1HZ   LYS   6          3HZ       LYS   6 -19.316  -8.611   4.890
   52   2HZ   LYS   6          2HZ       LYS   6 -19.869  -7.048   5.218
   53   3HZ   LYS   6          1HZ       LYS   6 -20.751  -8.385   5.756
   54    H    VAL   7           H        VAL   7 -25.331  -9.307   0.152
   55    HA   VAL   7           HA       VAL   7 -26.596  -6.942  -0.657
   56    HB   VAL   7           HB       VAL   7 -28.586  -7.884  -0.034
   57   1HG1  VAL   7          1HG1      VAL   7 -27.036  -9.457  -1.375
   58   2HG1  VAL   7          3HG1      VAL   7 -27.021 -10.426   0.099
   59   3HG1  VAL   7          2HG1      VAL   7 -28.547 -10.090  -0.721
   60   1HG2  VAL   7          1HG2      VAL   7 -27.128  -9.093   2.305
   61   2HG2  VAL   7          3HG2      VAL   7 -28.435  -7.907   2.320
   62   3HG2  VAL   7          2HG2      VAL   7 -28.764  -9.577   1.856
   63    H    TYR   8           H        TYR   8 -27.213  -5.115   0.350
   64    HA   TYR   8           HA       TYR   8 -25.863  -4.313   2.698
   65   1HB   TYR   8          2HB       TYR   8 -26.783  -2.843   0.812
   66   2HB   TYR   8          1HB       TYR   8 -28.343  -3.003   1.590
   67    HD1  TYR   8           HD1      TYR   8 -27.112  -2.854   4.520
   68    HD2  TYR   8           HD2      TYR   8 -26.695  -0.476   1.010
   69    HE1  TYR   8           HE1      TYR   8 -26.552  -0.927   5.903
   70    HE2  TYR   8           HE2      TYR   8 -26.138   1.468   2.401
   71    HH   TYR   8           HH       TYR   8 -25.099   1.387   5.348
   72    H    GLU   9           H        GLU   9 -26.610  -6.361   3.810
   73    HA   GLU   9           HA       GLU   9 -28.261  -7.532   5.038
   74   1HB   GLU   9          2HB       GLU   9 -27.495  -5.095   6.636
   75   2HB   GLU   9          1HB       GLU   9 -28.102  -6.607   7.300
   76   1HG   GLU   9          2HG       GLU   9 -25.741  -6.560   7.578
   77   2HG   GLU   9          1HG       GLU   9 -26.123  -7.754   6.337
   78    H    ASN  10           H        ASN  10 -29.278  -5.043   6.932
   79    HA   ASN  10           HA       ASN  10 -31.976  -5.420   6.626
   80   1HB   ASN  10          2HB       ASN  10 -30.607  -2.851   7.442
   81   2HB   ASN  10          1HB       ASN  10 -32.278  -3.284   7.787
   82   1HD2  ASN  10          2HD2      ASN  10 -30.114  -6.085   9.592
   83   2HD2  ASN  10          1HD2      ASN  10 -30.399  -6.011   7.890
   84    H    TYR  11           H        TYR  11 -30.431  -2.401   5.574
   85    HA   TYR  11           HA       TYR  11 -31.612  -0.837   4.213
   86   1HB   TYR  11          2HB       TYR  11 -29.392  -1.986   3.327
   87   2HB   TYR  11          1HB       TYR  11 -30.479  -2.517   2.045
   88    HD1  TYR  11           HD2      TYR  11 -28.885   0.370   3.641
   89    HD2  TYR  11           HD1      TYR  11 -31.445  -0.914   0.496
   90    HE1  TYR  11           HE2      TYR  11 -28.669   2.575   2.574
   91    HE2  TYR  11           HE1      TYR  11 -31.238   1.288  -0.581
   92    HH   TYR  11           HH       TYR  11 -29.144   3.267  -0.339
   93    HA   PRO  12           HA       PRO  12 -35.452  -3.308   3.326
   94   1HB   PRO  12          2HB       PRO  12 -36.321  -0.459   3.396
   95   2HB   PRO  12          1HB       PRO  12 -37.132  -1.891   4.041
   96   1HG   PRO  12          2HG       PRO  12 -35.828  -0.244   5.667
   97   2HG   PRO  12          1HG       PRO  12 -35.744  -1.998   5.904
   98   1HD   PRO  12          2HD       PRO  12 -33.702  -0.133   4.806
   99   2HD   PRO  12          1HD       PRO  12 -33.482  -1.621   5.749
  100    H    VAL  13           H        VAL  13 -34.732  -0.161   1.975
  101    HA   VAL  13           HA       VAL  13 -34.226  -0.885  -0.624
  102    HB   VAL  13           HB       VAL  13 -37.047  -1.116  -0.024
  103   1HG1  VAL  13          3HG1      VAL  13 -36.372   0.876  -2.189
  104   2HG1  VAL  13          2HG1      VAL  13 -37.945   0.108  -1.978
  105   3HG1  VAL  13          1HG1      VAL  13 -37.315   1.179  -0.728
  106   1HG2  VAL  13          2HG2      VAL  13 -35.499  -2.612  -1.394
  107   2HG2  VAL  13          1HG2      VAL  13 -37.128  -2.343  -2.014
  108   3HG2  VAL  13          3HG2      VAL  13 -35.765  -1.470  -2.712
  109    H    SER  14           H        SER  14 -36.165   1.484   1.167
  110    HA   SER  14           HA       SER  14 -36.384   3.774   0.704
  111   1HB   SER  14          2HB       SER  14 -34.211   4.834   1.607
  112   2HB   SER  14          1HB       SER  14 -35.115   3.760   2.674
  113    HG   SER  14           HG       SER  14 -33.657   2.078   1.991
  114    H    LYS  15           H        LYS  15 -36.228   2.971  -1.764
  115    HA   LYS  15           HA       LYS  15 -35.877   4.062  -3.774
  116   1HB   LYS  15          2HB       LYS  15 -34.784   5.931  -2.301
  117   2HB   LYS  15          1HB       LYS  15 -33.274   5.211  -2.845
  118   1HG   LYS  15          2HG       LYS  15 -33.740   6.990  -4.317
  119   2HG   LYS  15          1HG       LYS  15 -34.104   5.505  -5.197
  120   1HD   LYS  15          2HD       LYS  15 -36.410   5.839  -5.045
  121   2HD   LYS  15          1HD       LYS  15 -36.250   6.978  -3.707
  122   1HE   LYS  15          2HE       LYS  15 -35.338   8.649  -5.175
  123   2HE   LYS  15          1HE       LYS  15 -35.285   7.503  -6.514
  124   1HZ   LYS  15          3HZ       LYS  15 -37.869   7.997  -5.228
  125   2HZ   LYS  15          2HZ       LYS  15 -37.251   9.200  -6.244
  126   3HZ   LYS  15          1HZ       LYS  15 -37.517   7.643  -6.846
  127    H    CYS  16           H        CYS  16 -34.902   3.278  -5.583
  128    HA   CYS  16           HA       CYS  16 -32.345   2.109  -5.689
  129   1HB   CYS  16          2HB       CYS  16 -34.541   0.360  -4.818
  130   2HB   CYS  16          1HB       CYS  16 -33.622  -0.279  -6.176
  131    H    GLN  17           H        GLN  17 -34.454   3.739  -7.140
  132    HA   GLN  17           HA       GLN  17 -34.575   2.252  -9.667
  133   1HB   GLN  17          2HB       GLN  17 -36.390   3.976  -8.308
  134   2HB   GLN  17          1HB       GLN  17 -35.953   4.772  -9.810
  135   1HG   GLN  17          2HG       GLN  17 -36.791   1.903  -9.787
  136   2HG   GLN  17          1HG       GLN  17 -37.982   3.201  -9.764
  137   1HE2  GLN  17          2HE2      GLN  17 -35.544   3.480 -12.998
  138   2HE2  GLN  17          1HE2      GLN  17 -34.920   3.497 -11.387
  139    H    LEU  18           H        LEU  18 -32.082   3.082  -8.993
  140    HA   LEU  18           HA       LEU  18 -31.418   4.782 -11.223
  141   1HB   LEU  18          2HB       LEU  18 -30.655   5.669  -8.432
  142   2HB   LEU  18          1HB       LEU  18 -30.096   6.400  -9.920
  143    HG   LEU  18           HG       LEU  18 -32.991   6.383  -9.068
  144   1HD1  LEU  18          2HD1      LEU  18 -30.755   8.209  -8.382
  145   2HD1  LEU  18          1HD1      LEU  18 -32.358   8.890  -8.668
  146   3HD1  LEU  18          3HD1      LEU  18 -32.128   7.676  -7.411
  147   1HD2  LEU  18          1HD2      LEU  18 -31.777   6.988 -11.534
  148   2HD2  LEU  18          3HD2      LEU  18 -33.430   7.339 -11.035
  149   3HD2  LEU  18          2HD2      LEU  18 -32.163   8.540 -10.797
  150    H    ALA  19           H        ALA  19 -28.903   5.292  -9.338
  151    HA   ALA  19           HA       ALA  19 -27.618   2.832  -8.933
  152   1HB   ALA  19          1HB       ALA  19 -27.843   2.932 -11.516
  153   2HB   ALA  19          3HB       ALA  19 -26.558   4.135 -11.414
  154   3HB   ALA  19          2HB       ALA  19 -26.287   2.500 -10.811
  155    H    ASN  20           H        ASN  20 -27.813   5.101  -7.477
  156    HA   ASN  20           HA       ASN  20 -25.018   5.931  -7.314
  157   1HB   ASN  20          2HB       ASN  20 -25.432   8.045  -7.977
  158   2HB   ASN  20          1HB       ASN  20 -27.119   7.631  -8.250
  159   1HD2  ASN  20          2HD2      ASN  20 -28.173   8.866  -5.048
  160   2HD2  ASN  20          1HD2      ASN  20 -28.419   7.539  -6.128
  161    H    GLN  21           H        GLN  21 -28.236   6.063  -5.823
  162    HA   GLN  21           HA       GLN  21 -27.580   6.716  -3.250
  163   1HB   GLN  21          2HB       GLN  21 -29.874   6.128  -4.358
  164   2HB   GLN  21          1HB       GLN  21 -29.557   4.515  -3.740
  165   1HG   GLN  21          2HG       GLN  21 -30.800   5.447  -2.049
  166   2HG   GLN  21          1HG       GLN  21 -29.152   5.727  -1.488
  167   1HE2  GLN  21          2HE2      GLN  21 -29.324   9.199  -1.657
  168   2HE2  GLN  21          1HE2      GLN  21 -28.330   7.800  -1.461
  169    H    CYS  22           H        CYS  22 -28.323   3.311  -3.925
  170    HA   CYS  22           HA       CYS  22 -26.778   2.370  -1.783
  171   1HB   CYS  22          2HB       CYS  22 -28.076   1.061  -4.140
  172   2HB   CYS  22          1HB       CYS  22 -27.030   0.124  -3.075
  173    H    ASN  23           H        ASN  23 -25.997   2.893  -5.162
  174    HA   ASN  23           HA       ASN  23 -23.657   1.417  -5.382
  175   1HB   ASN  23          2HB       ASN  23 -24.948   2.981  -7.102
  176   2HB   ASN  23          1HB       ASN  23 -23.739   4.156  -6.582
  177   1HD2  ASN  23          2HD2      ASN  23 -21.443   2.940  -8.834
  178   2HD2  ASN  23          1HD2      ASN  23 -22.180   4.271  -8.017
  179    H    TYR  24           H        TYR  24 -23.799   4.915  -4.709
  180    HA   TYR  24           HA       TYR  24 -21.167   5.195  -3.845
  181   1HB   TYR  24          2HB       TYR  24 -21.777   7.350  -3.784
  182   2HB   TYR  24          1HB       TYR  24 -23.431   6.857  -4.090
  183    HD1  TYR  24           HD1      TYR  24 -21.072   6.913  -1.231
  184    HD2  TYR  24           HD2      TYR  24 -24.999   7.722  -2.632
  185    HE1  TYR  24           HE1      TYR  24 -21.678   7.744   0.986
  186    HE2  TYR  24           HE2      TYR  24 -25.627   8.563  -0.409
  187    HH   TYR  24           HH       TYR  24 -23.482   9.425   1.904
  188    H    ASP  25           H        ASP  25 -24.061   4.270  -2.053
  189    HA   ASP  25           HA       ASP  25 -23.071   4.426   0.527
  190   1HB   ASP  25          2HB       ASP  25 -24.888   2.262  -0.552
  191   2HB   ASP  25          1HB       ASP  25 -24.706   2.718   1.137
  192    H    CYS  26           H        CYS  26 -23.117   1.427  -1.446
  193    HA   CYS  26           HA       CYS  26 -21.440  -0.028   0.242
  194   1HB   CYS  26          2HB       CYS  26 -21.491  -0.264  -2.776
  195   2HB   CYS  26          1HB       CYS  26 -21.018  -1.505  -1.628
  196    H    LYS  27           H        LYS  27 -20.722   2.200  -2.380
  197    HA   LYS  27           HA       LYS  27 -17.975   1.784  -2.594
  198   1HB   LYS  27          2HB       LYS  27 -19.600   3.181  -4.059
  199   2HB   LYS  27          1HB       LYS  27 -19.191   4.497  -2.965
  200   1HG   LYS  27          2HG       LYS  27 -16.984   4.564  -3.657
  201   2HG   LYS  27          1HG       LYS  27 -17.029   2.925  -4.307
  202   1HD   LYS  27          2HD       LYS  27 -18.013   3.579  -6.266
  203   2HD   LYS  27          1HD       LYS  27 -18.844   4.946  -5.519
  204   1HE   LYS  27          2HE       LYS  27 -16.790   6.205  -5.428
  205   2HE   LYS  27          1HE       LYS  27 -15.873   4.820  -6.018
  206   1HZ   LYS  27          2HZ       LYS  27 -17.875   5.265  -7.870
  207   2HZ   LYS  27          1HZ       LYS  27 -17.259   6.795  -7.496
  208   3HZ   LYS  27          3HZ       LYS  27 -16.223   5.579  -8.054
  209    H    LEU  28           H        LEU  28 -19.427   2.643   0.209
  210    HA   LEU  28           HA       LEU  28 -16.965   3.582   1.322
  211   1HB   LEU  28          2HB       LEU  28 -17.720   5.661   0.306
  212   2HB   LEU  28          1HB       LEU  28 -19.256   5.533   1.144
  213    HG   LEU  28           HG       LEU  28 -17.945   5.643   3.314
  214   1HD1  LEU  28          1HD1      LEU  28 -15.767   6.310   1.358
  215   2HD1  LEU  28          3HD1      LEU  28 -15.718   6.814   3.047
  216   3HD1  LEU  28          2HD1      LEU  28 -15.756   5.099   2.640
  217   1HD2  LEU  28          2HD2      LEU  28 -18.169   7.902   1.364
  218   2HD2  LEU  28          1HD2      LEU  28 -19.130   7.569   2.805
  219   3HD2  LEU  28          3HD2      LEU  28 -17.477   8.161   2.966
  220    H    ASP  29           H        ASP  29 -20.412   3.029   1.731
  221    HA   ASP  29           HA       ASP  29 -20.450   3.192   4.552
  222   1HB   ASP  29          2HB       ASP  29 -22.249   1.715   2.622
  223   2HB   ASP  29          1HB       ASP  29 -22.565   1.844   4.349
  224    H    LYS  30           H        LYS  30 -19.160   0.892   2.420
  225    HA   LYS  30           HA       LYS  30 -18.519  -0.858   4.665
  226   1HB   LYS  30          2HB       LYS  30 -19.618  -1.964   2.083
  227   2HB   LYS  30          1HB       LYS  30 -19.199  -2.865   3.536
  228   1HG   LYS  30          2HG       LYS  30 -21.000  -1.725   4.748
  229   2HG   LYS  30          1HG       LYS  30 -21.429  -0.855   3.277
  230   1HD   LYS  30          2HD       LYS  30 -22.848  -2.552   2.864
  231   2HD   LYS  30          1HD       LYS  30 -21.418  -3.497   2.452
  232   1HE   LYS  30          2HE       LYS  30 -22.617  -3.317   5.215
  233   2HE   LYS  30          1HE       LYS  30 -22.940  -4.617   4.068
  234   1HZ   LYS  30          2HZ       LYS  30 -20.319  -4.718   4.067
  235   2HZ   LYS  30          1HZ       LYS  30 -20.521  -4.061   5.612
  236   3HZ   LYS  30          3HZ       LYS  30 -21.238  -5.544   5.223
  237    H    HIS  31           H        HIS  31 -17.505   0.908   2.123
  238    HA   HIS  31           HA       HIS  31 -15.546   1.092   0.986
  239   1HB   HIS  31          2HB       HIS  31 -14.253  -1.078   2.570
  240   2HB   HIS  31          1HB       HIS  31 -13.617   0.490   2.083
  241    HD1  HIS  31           HD1      HIS  31 -15.287  -1.258   4.851
  242    HD2  HIS  31           HD2      HIS  31 -14.484   2.668   3.752
  243    HE1  HIS  31           HE1      HIS  31 -15.657   0.110   6.928
  244    HE2  HIS  31           HE2      HIS  31 -15.225   2.491   6.225
  245    H    ALA  32           H        ALA  32 -17.489  -0.653  -0.088
  246    HA   ALA  32           HA       ALA  32 -16.075  -3.004  -1.039
  247   1HB   ALA  32          2HB       ALA  32 -18.684  -2.613  -0.508
  248   2HB   ALA  32          1HB       ALA  32 -18.688  -2.281  -2.238
  249   3HB   ALA  32          3HB       ALA  32 -18.105  -3.835  -1.636
  250    H    ARG  33           H        ARG  33 -16.859  -3.278  -3.624
  251    HA   ARG  33           HA       ARG  33 -15.230  -1.264  -4.946
  252   1HB   ARG  33          2HB       ARG  33 -14.539  -3.053  -6.122
  253   2HB   ARG  33          1HB       ARG  33 -15.747  -4.057  -5.346
  254   1HG   ARG  33          2HG       ARG  33 -17.374  -3.236  -7.104
  255   2HG   ARG  33          1HG       ARG  33 -15.983  -2.543  -7.928
  256   1HD   ARG  33          2HD       ARG  33 -15.367  -5.229  -7.275
  257   2HD   ARG  33          1HD       ARG  33 -16.960  -5.217  -8.008
  258    HE   ARG  33           HE       ARG  33 -14.568  -4.060  -9.286
  259   1HH1  ARG  33          1HH2      ARG  33 -17.590  -5.803  -9.470
  260   2HH1  ARG  33          2HH2      ARG  33 -17.509  -5.997 -11.187
  261   1HH2  ARG  33          2HH1      ARG  33 -14.461  -4.327 -11.534
  262   2HH2  ARG  33          1HH1      ARG  33 -15.733  -5.164 -12.359
  263    H    SER  34           H        SER  34 -18.533  -2.507  -4.964
  264    HA   SER  34           HA       SER  34 -19.636  -0.046  -5.768
  265   1HB   SER  34          2HB       SER  34 -20.035  -0.211  -8.024
  266   2HB   SER  34          1HB       SER  34 -18.496  -1.067  -7.935
  267    HG   SER  34           HG       SER  34 -20.038  -2.249  -9.127
  268    H    GLY  35           H        GLY  35 -21.789  -1.376  -7.392
  269   1HA   GLY  35          2HA       GLY  35 -23.117  -3.466  -6.452
  270   2HA   GLY  35          1HA       GLY  35 -23.295  -2.369  -5.094
  271    H    GLU  36           H        GLU  36 -25.538  -3.237  -6.117
  272    HA   GLU  36           HA       GLU  36 -26.929  -0.923  -6.876
  273   1HB   GLU  36          2HB       GLU  36 -27.665  -2.235  -9.170
  274   2HB   GLU  36          1HB       GLU  36 -26.531  -0.897  -9.099
  275   1HG   GLU  36          2HG       GLU  36 -25.382  -3.580  -8.662
  276   2HG   GLU  36          1HG       GLU  36 -25.993  -3.250 -10.279
  277    H    CYS  37           H        CYS  37 -29.281  -1.553  -7.588
  278    HA   CYS  37           HA       CYS  37 -30.125  -3.591  -5.711
  279   1HB   CYS  37          2HB       CYS  37 -31.198  -1.131  -6.606
  280   2HB   CYS  37          1HB       CYS  37 -32.364  -2.384  -7.019
  281    H    PHE  38           H        PHE  38 -31.394  -5.341  -6.108
  282    HA   PHE  38           HA       PHE  38 -32.032  -6.052  -8.864
  283   1HB   PHE  38          2HB       PHE  38 -30.308  -7.755  -7.053
  284   2HB   PHE  38          1HB       PHE  38 -31.038  -8.329  -8.549
  285    HD1  PHE  38           HD1      PHE  38 -30.283  -7.434 -10.715
  286    HD2  PHE  38           HD2      PHE  38 -28.370  -6.381  -7.063
  287    HE1  PHE  38           HE1      PHE  38 -28.333  -6.619 -11.975
  288    HE2  PHE  38           HE2      PHE  38 -26.417  -5.569  -8.315
  289    HZ   PHE  38           HZ       PHE  38 -26.395  -5.683 -10.775
  290    H    TYR  39           H        TYR  39 -33.693  -7.617  -9.041
  291    HA   TYR  39           HA       TYR  39 -35.452  -7.683  -6.763
  292   1HB   TYR  39          2HB       TYR  39 -35.663  -8.477  -9.631
  293   2HB   TYR  39          1HB       TYR  39 -36.828  -9.128  -8.482
  294    HD1  TYR  39           HD2      TYR  39 -35.479  -6.006  -9.921
  295    HD2  TYR  39           HD1      TYR  39 -38.605  -7.787  -7.650
  296    HE1  TYR  39           HE2      TYR  39 -36.780  -3.927 -10.097
  297    HE2  TYR  39           HE1      TYR  39 -39.917  -5.713  -7.823
  298    HH   TYR  39           HH       TYR  39 -39.733  -3.576  -9.829
  299    H    ASP  40           H        ASP  40 -36.302  -9.528  -5.758
  300    HA   ASP  40           HA       ASP  40 -34.435 -11.790  -5.719
  301   1HB   ASP  40          2HB       ASP  40 -35.534 -12.367  -3.569
  302   2HB   ASP  40          1HB       ASP  40 -34.824 -10.755  -3.563
  303    H    GLU  41           H        GLU  41 -35.751 -13.873  -4.887
  304    HA   GLU  41           HA       GLU  41 -37.148 -14.788  -7.139
  305   1HB   GLU  41          2HB       GLU  41 -35.890 -16.034  -5.138
  306   2HB   GLU  41          1HB       GLU  41 -37.536 -16.191  -4.544
  307   1HG   GLU  41          2HG       GLU  41 -37.260 -18.135  -5.737
  308   2HG   GLU  41          1HG       GLU  41 -38.045 -17.087  -6.918
  309    H    LYS  42           H        LYS  42 -38.216 -12.873  -4.598
  310    HA   LYS  42           HA       LYS  42 -40.996 -13.762  -4.806
  311   1HB   LYS  42          2HB       LYS  42 -39.447 -12.054  -2.918
  312   2HB   LYS  42          1HB       LYS  42 -41.161 -11.708  -3.100
  313   1HG   LYS  42          2HG       LYS  42 -41.633 -14.087  -2.556
  314   2HG   LYS  42          1HG       LYS  42 -39.913 -14.300  -2.222
  315   1HD   LYS  42          2HD       LYS  42 -40.363 -12.158  -0.688
  316   2HD   LYS  42          1HD       LYS  42 -41.991 -12.842  -0.676
  317   1HE   LYS  42          2HE       LYS  42 -39.432 -14.169   0.194
  318   2HE   LYS  42          1HE       LYS  42 -40.799 -13.711   1.208
  319   1HZ   LYS  42          3HZ       LYS  42 -42.077 -15.299  -0.393
  320   2HZ   LYS  42          2HZ       LYS  42 -40.544 -15.961  -0.660
  321   3HZ   LYS  42          1HZ       LYS  42 -41.191 -15.931   0.902
  322    H    ARG  43           H        ARG  43 -39.648 -10.525  -4.515
  323    HA   ARG  43           HA       ARG  43 -40.146  -9.535  -7.047
  324   1HB   ARG  43          2HB       ARG  43 -42.224  -8.254  -6.721
  325   2HB   ARG  43          1HB       ARG  43 -42.466  -9.990  -6.788
  326   1HG   ARG  43          2HG       ARG  43 -42.417  -9.912  -4.234
  327   2HG   ARG  43          1HG       ARG  43 -42.612  -8.167  -4.420
  328   1HD   ARG  43          2HD       ARG  43 -44.817  -8.569  -4.517
  329   2HD   ARG  43          1HD       ARG  43 -44.509  -9.214  -6.129
  330    HE   ARG  43           HE       ARG  43 -44.036 -11.289  -4.379
  331   1HH1  ARG  43          1HH2      ARG  43 -46.710  -9.223  -5.223
  332   2HH1  ARG  43          2HH2      ARG  43 -47.915 -10.415  -4.867
  333   1HH2  ARG  43          2HH1      ARG  43 -45.618 -12.869  -3.903
  334   2HH2  ARG  43          1HH1      ARG  43 -47.295 -12.486  -4.115
  335    H    ASN  44           H        ASN  44 -39.083  -9.172  -3.964
  336    HA   ASN  44           HA       ASN  44 -39.173  -6.258  -3.943
  337   1HB   ASN  44          2HB       ASN  44 -38.261  -8.301  -1.920
  338   2HB   ASN  44          1HB       ASN  44 -37.989  -6.573  -1.709
  339   1HD2  ASN  44          2HD2      ASN  44 -41.901  -7.753  -1.885
  340   2HD2  ASN  44          1HD2      ASN  44 -40.742  -8.380  -3.001
  341    H    LEU  45           H        LEU  45 -37.321  -4.965  -3.789
  342    HA   LEU  45           HA       LEU  45 -35.062  -6.022  -5.284
  343   1HB   LEU  45          2HB       LEU  45 -35.678  -3.204  -4.400
  344   2HB   LEU  45          1HB       LEU  45 -34.363  -3.677  -5.462
  345    HG   LEU  45           HG       LEU  45 -36.065  -4.510  -7.097
  346   1HD1  LEU  45          1HD1      LEU  45 -37.907  -3.427  -5.006
  347   2HD1  LEU  45          3HD1      LEU  45 -38.375  -3.392  -6.706
  348   3HD1  LEU  45          2HD1      LEU  45 -38.010  -4.929  -5.926
  349   1HD2  LEU  45          3HD2      LEU  45 -35.003  -2.294  -7.289
  350   2HD2  LEU  45          2HD2      LEU  45 -36.644  -2.318  -7.934
  351   3HD2  LEU  45          1HD2      LEU  45 -36.328  -1.600  -6.354
  352    H    GLN  46           H        GLN  46 -32.885  -5.711  -4.632
  353    HA   GLN  46           HA       GLN  46 -32.395  -5.079  -1.825
  354   1HB   GLN  46          2HB       GLN  46 -31.834  -7.749  -3.104
  355   2HB   GLN  46          1HB       GLN  46 -30.888  -7.179  -1.735
  356   1HG   GLN  46          2HG       GLN  46 -32.448  -8.307  -0.560
  357   2HG   GLN  46          1HG       GLN  46 -33.357  -6.806  -0.746
  358   1HE2  GLN  46          2HE2      GLN  46 -35.358  -9.842  -1.716
  359   2HE2  GLN  46          1HE2      GLN  46 -34.358  -9.483  -0.353
  360    H    CYS  47           H        CYS  47 -30.544  -4.009  -1.537
  361    HA   CYS  47           HA       CYS  47 -28.983  -3.336  -3.855
  362   1HB   CYS  47          2HB       CYS  47 -28.910  -2.424  -0.995
  363   2HB   CYS  47          1HB       CYS  47 -27.753  -1.867  -2.202
  364    H    ILE  48           H        ILE  48 -27.583  -4.757  -4.566
  365    HA   ILE  48           HA       ILE  48 -26.016  -6.374  -2.735
  366    HB   ILE  48           HB       ILE  48 -26.041  -6.323  -5.751
  367   1HG1  ILE  48          2HG1      ILE  48 -27.353  -8.159  -3.735
  368   2HG1  ILE  48          1HG1      ILE  48 -28.155  -7.119  -4.908
  369   1HG2  ILE  48          3HG2      ILE  48 -24.705  -8.233  -3.836
  370   2HG2  ILE  48          2HG2      ILE  48 -24.817  -8.456  -5.582
  371   3HG2  ILE  48          1HG2      ILE  48 -23.902  -7.103  -4.925
  372   1HD1  ILE  48          2HD1      ILE  48 -27.027  -8.506  -6.695
  373   2HD1  ILE  48          1HD1      ILE  48 -26.610  -9.637  -5.408
  374   3HD1  ILE  48          3HD1      ILE  48 -28.302  -9.294  -5.765
  375    H    CYS  49           H        CYS  49 -24.125  -5.761  -1.991
  376    HA   CYS  49           HA       CYS  49 -22.670  -3.568  -3.265
  377   1HB   CYS  49          2HB       CYS  49 -22.313  -4.988  -0.622
  378   2HB   CYS  49          1HB       CYS  49 -21.243  -3.718  -1.195
  379    H    ASP  50           H        ASP  50 -21.116  -4.021  -4.688
  380    HA   ASP  50           HA       ASP  50 -20.072  -6.721  -4.870
  381   1HB   ASP  50          2HB       ASP  50 -20.770  -5.208  -6.845
  382   2HB   ASP  50          1HB       ASP  50 -19.221  -4.413  -6.602
  383    H    TYR  51           H        TYR  51 -17.959  -7.316  -4.657
  384    HA   TYR  51           HA       TYR  51 -16.044  -5.386  -3.550
  385   1HB   TYR  51          2HB       TYR  51 -16.856  -8.030  -2.343
  386   2HB   TYR  51          1HB       TYR  51 -15.380  -7.185  -1.895
  387    HD1  TYR  51           HD1      TYR  51 -19.055  -7.092  -1.767
  388    HD2  TYR  51           HD2      TYR  51 -15.444  -5.284  -0.438
  389    HE1  TYR  51           HE1      TYR  51 -20.310  -5.842  -0.069
  390    HE2  TYR  51           HE2      TYR  51 -16.696  -4.026   1.265
  391    HH   TYR  51           HH       TYR  51 -19.349  -4.699   2.450
  392    H    CYS  52           H        CYS  52 -16.088  -6.411  -6.166
  393    HA   CYS  52           HA       CYS  52 -14.198  -8.608  -6.205
  394   1HB   CYS  52          2HB       CYS  52 -15.601  -7.169  -8.450
  395   2HB   CYS  52          1HB       CYS  52 -14.519  -8.540  -8.664
  396    H    GLU  53           H        GLU  53 -14.193  -5.893  -8.429
  397    HA   GLU  53           HA       GLU  53 -12.147  -5.130  -9.425
  398   1HB   GLU  53          2HB       GLU  53 -13.435  -3.358  -8.229
  399   2HB   GLU  53          1HB       GLU  53 -12.435  -3.642  -6.813
  400   1HG   GLU  53          2HG       GLU  53 -10.488  -3.209  -8.546
  401   2HG   GLU  53          1HG       GLU  53 -11.760  -2.319  -9.380
  402    H    TYR  54           HN       TYR  54 -11.403  -4.833  -6.005
  403    HA   TYR  54           HA       TYR  54  -8.802  -4.887  -5.807
  404   1HB   TYR  54          2HB       TYR  54 -10.364  -6.924  -4.227
  405   2HB   TYR  54          1HB       TYR  54  -8.953  -5.998  -3.713
  406    HD1  TYR  54           HD1      TYR  54  -9.523  -3.295  -4.368
  407    HD2  TYR  54           HD2      TYR  54 -12.208  -6.282  -2.972
  408    HE1  TYR  54           HE1      TYR  54 -10.985  -1.549  -3.482
  409    HE2  TYR  54           HE2      TYR  54 -13.688  -4.534  -2.070
  410    HH   TYR  54           HH       TYR  54 -13.433  -1.307  -2.913
   
  No H/Q in entry =         410
  Start of MODEL   40
    1    HN   PCA   1           HN       PCA   1 -13.313 -16.738   1.884
    2    HA   PCA   1           HA       PCA   1 -15.516 -17.652   2.816
    3   1HB   PCA   1          1HB       PCA   1 -15.886 -17.280   5.017
    4   2HB   PCA   1          2HB       PCA   1 -15.862 -15.519   4.761
    5   1HG   PCA   1          1HG       PCA   1 -13.750 -17.240   5.793
    6   2HG   PCA   1          2HG       PCA   1 -13.762 -15.472   5.656
    7    H    ASP   2           H        ASP   2 -16.693 -17.025   1.113
    8    HA   ASP   2           HA       ASP   2 -17.575 -15.661  -0.519
    9   1HB   ASP   2          2HB       ASP   2 -19.078 -13.854   0.670
   10   2HB   ASP   2          1HB       ASP   2 -19.452 -15.570   0.815
   11    H    LYS   3           H        LYS   3 -17.697 -12.848   1.435
   12    HA   LYS   3           HA       LYS   3 -16.761 -10.785   1.250
   13   1HB   LYS   3          2HB       LYS   3 -14.372 -12.484   0.551
   14   2HB   LYS   3          1HB       LYS   3 -14.281 -10.737   0.699
   15   1HG   LYS   3          2HG       LYS   3 -15.486 -12.200   2.971
   16   2HG   LYS   3          1HG       LYS   3 -13.752 -12.409   2.723
   17   1HD   LYS   3          2HD       LYS   3 -13.619  -9.864   2.652
   18   2HD   LYS   3          1HD       LYS   3 -15.276  -9.870   3.263
   19   1HE   LYS   3          2HE       LYS   3 -12.901 -11.173   4.589
   20   2HE   LYS   3          1HE       LYS   3 -13.631  -9.642   5.069
   21   1HZ   LYS   3          1HZ       LYS   3 -15.299 -12.061   4.935
   22   2HZ   LYS   3          3HZ       LYS   3 -14.291 -11.823   6.273
   23   3HZ   LYS   3          2HZ       LYS   3 -15.485 -10.685   5.901
   24    H    CYS   4           H        CYS   4 -15.557  -9.278  -0.307
   25    HA   CYS   4           HA       CYS   4 -15.496  -8.212  -2.295
   26   1HB   CYS   4          2HB       CYS   4 -15.276 -11.054  -3.200
   27   2HB   CYS   4          1HB       CYS   4 -15.392  -9.756  -4.378
   28    H    LYS   5           H        LYS   5 -18.018 -10.513  -1.771
   29    HA   LYS   5           HA       LYS   5 -19.857  -8.788  -3.251
   30   1HB   LYS   5          2HB       LYS   5 -19.465 -11.737  -3.703
   31   2HB   LYS   5          1HB       LYS   5 -20.995 -10.952  -4.070
   32   1HG   LYS   5          2HG       LYS   5 -20.189  -9.944  -5.924
   33   2HG   LYS   5          1HG       LYS   5 -18.615  -9.631  -5.192
   34   1HD   LYS   5          2HD       LYS   5 -18.328 -11.176  -7.011
   35   2HD   LYS   5          1HD       LYS   5 -18.055 -12.032  -5.492
   36   1HE   LYS   5          2HE       LYS   5 -19.412 -13.544  -6.530
   37   2HE   LYS   5          1HE       LYS   5 -20.640 -12.550  -5.748
   38   1HZ   LYS   5          1HZ       LYS   5 -19.945 -11.487  -8.285
   39   2HZ   LYS   5          3HZ       LYS   5 -20.419 -13.104  -8.434
   40   3HZ   LYS   5          2HZ       LYS   5 -21.457 -11.981  -7.713
   41    H    LYS   6           H        LYS   6 -21.040  -8.098  -1.540
   42    HA   LYS   6           HA       LYS   6 -22.473 -10.150  -0.021
   43   1HB   LYS   6          2HB       LYS   6 -21.096  -7.812   1.284
   44   2HB   LYS   6          1HB       LYS   6 -22.073  -9.029   2.091
   45   1HG   LYS   6          2HG       LYS   6 -20.465 -10.705   1.758
   46   2HG   LYS   6          1HG       LYS   6 -19.587  -9.737   0.571
   47   1HD   LYS   6          2HD       LYS   6 -18.318  -9.607   2.533
   48   2HD   LYS   6          1HD       LYS   6 -19.188  -8.079   2.434
   49   1HE   LYS   6          2HE       LYS   6 -19.192  -9.040   4.711
   50   2HE   LYS   6          1HE       LYS   6 -20.811  -8.846   4.043
   51   1HZ   LYS   6          2HZ       LYS   6 -19.447 -11.418   3.692
   52   2HZ   LYS   6          1HZ       LYS   6 -20.099 -11.054   5.209
   53   3HZ   LYS   6          3HZ       LYS   6 -21.099 -11.088   3.845
   54    H    VAL   7           H        VAL   7 -24.553  -9.708   0.256
   55    HA   VAL   7           HA       VAL   7 -25.715  -7.425  -0.943
   56    HB   VAL   7           HB       VAL   7 -27.807  -8.281  -0.330
   57   1HG1  VAL   7          1HG1      VAL   7 -26.214  -9.830  -1.691
   58   2HG1  VAL   7          3HG1      VAL   7 -26.296 -10.854  -0.258
   59   3HG1  VAL   7          2HG1      VAL   7 -27.771 -10.443  -1.132
   60   1HG2  VAL   7          2HG2      VAL   7 -26.361  -9.396   2.026
   61   2HG2  VAL   7          1HG2      VAL   7 -27.855  -8.464   1.951
   62   3HG2  VAL   7          3HG2      VAL   7 -27.857 -10.163   1.489
   63    H    TYR   8           H        TYR   8 -26.903  -5.710   0.108
   64    HA   TYR   8           HA       TYR   8 -25.583  -4.807   2.512
   65   1HB   TYR   8          2HB       TYR   8 -26.339  -3.421   0.426
   66   2HB   TYR   8          1HB       TYR   8 -27.888  -3.355   1.257
   67    HD1  TYR   8           HD2      TYR   8 -26.374  -3.335   4.076
   68    HD2  TYR   8           HD1      TYR   8 -26.138  -0.996   0.532
   69    HE1  TYR   8           HE2      TYR   8 -25.538  -1.445   5.391
   70    HE2  TYR   8           HE1      TYR   8 -25.299   0.911   1.841
   71    HH   TYR   8           HH       TYR   8 -24.563   1.590   3.841
   72    H    GLU   9           H        GLU   9 -27.087  -7.141   2.798
   73    HA   GLU   9           HA       GLU   9 -29.159  -7.925   3.727
   74   1HB   GLU   9          2HB       GLU   9 -28.568  -7.746   6.265
   75   2HB   GLU   9          1HB       GLU   9 -27.550  -8.679   5.177
   76   1HG   GLU   9          2HG       GLU   9 -25.882  -7.052   5.146
   77   2HG   GLU   9          1HG       GLU   9 -26.958  -5.808   5.780
   78    H    ASN  10           H        ASN  10 -28.654  -5.878   6.358
   79    HA   ASN  10           HA       ASN  10 -31.201  -5.192   6.902
   80   1HB   ASN  10          2HB       ASN  10 -28.680  -3.609   7.361
   81   2HB   ASN  10          1HB       ASN  10 -30.236  -3.130   8.033
   82   1HD2  ASN  10          2HD2      ASN  10 -29.525  -5.006  10.840
   83   2HD2  ASN  10          1HD2      ASN  10 -29.933  -3.481  10.142
   84    H    TYR  11           H        TYR  11 -29.073  -2.700   5.506
   85    HA   TYR  11           HA       TYR  11 -29.893  -0.660   4.634
   86   1HB   TYR  11          2HB       TYR  11 -28.735  -2.145   2.960
   87   2HB   TYR  11          1HB       TYR  11 -30.333  -2.592   2.369
   88    HD1  TYR  11           HD2      TYR  11 -28.256   0.438   3.064
   89    HD2  TYR  11           HD1      TYR  11 -31.275  -1.345   0.655
   90    HE1  TYR  11           HE2      TYR  11 -28.276   2.431   1.624
   91    HE2  TYR  11           HE1      TYR  11 -31.305   0.644  -0.791
   92    HH   TYR  11           HH       TYR  11 -28.926   2.945  -0.812
   93    HA   PRO  12           HA       PRO  12 -34.413  -0.765   5.443
   94   1HB   PRO  12          2HB       PRO  12 -33.910   2.011   4.434
   95   2HB   PRO  12          1HB       PRO  12 -34.945   1.471   5.763
   96   1HG   PRO  12          2HG       PRO  12 -32.551   2.514   6.262
   97   2HG   PRO  12          1HG       PRO  12 -33.152   1.132   7.198
   98   1HD   PRO  12          2HD       PRO  12 -31.057   1.229   5.098
   99   2HD   PRO  12          1HD       PRO  12 -31.221   0.127   6.480
  100    H    VAL  13           H        VAL  13 -34.928  -2.154   3.726
  101    HA   VAL  13           HA       VAL  13 -34.797  -1.603   1.003
  102    HB   VAL  13           HB       VAL  13 -37.112  -3.158   2.080
  103   1HG1  VAL  13          1HG1      VAL  13 -36.574  -2.887  -0.377
  104   2HG1  VAL  13          3HG1      VAL  13 -35.147  -3.879  -0.080
  105   3HG1  VAL  13          2HG1      VAL  13 -36.757  -4.543   0.201
  106   1HG2  VAL  13          1HG2      VAL  13 -34.222  -3.795   2.488
  107   2HG2  VAL  13          3HG2      VAL  13 -35.586  -4.003   3.588
  108   3HG2  VAL  13          2HG2      VAL  13 -35.379  -5.100   2.221
  109    H    SER  14           H        SER  14 -35.473   0.430   0.404
  110    HA   SER  14           HA       SER  14 -38.174   0.811  -0.206
  111   1HB   SER  14          2HB       SER  14 -38.571   2.822   1.327
  112   2HB   SER  14          1HB       SER  14 -38.685   1.226   2.067
  113    HG   SER  14           HG       SER  14 -36.676   3.174   2.319
  114    H    LYS  15           H        LYS  15 -35.340   1.174  -1.121
  115    HA   LYS  15           HA       LYS  15 -35.756   3.389  -2.798
  116   1HB   LYS  15          2HB       LYS  15 -34.670   4.020  -0.210
  117   2HB   LYS  15          1HB       LYS  15 -33.455   4.360  -1.435
  118   1HG   LYS  15          2HG       LYS  15 -35.223   5.676  -2.656
  119   2HG   LYS  15          1HG       LYS  15 -36.231   5.498  -1.218
  120   1HD   LYS  15          2HD       LYS  15 -34.581   6.641   0.127
  121   2HD   LYS  15          1HD       LYS  15 -33.470   6.715  -1.242
  122   1HE   LYS  15          2HE       LYS  15 -36.125   7.876  -1.759
  123   2HE   LYS  15          1HE       LYS  15 -35.183   8.715  -0.527
  124   1HZ   LYS  15          3HZ       LYS  15 -34.152   8.057  -3.231
  125   2HZ   LYS  15          2HZ       LYS  15 -34.835   9.548  -2.817
  126   3HZ   LYS  15          1HZ       LYS  15 -33.412   9.033  -2.063
  127    H    CYS  16           H        CYS  16 -34.943   2.426  -4.533
  128    HA   CYS  16           HA       CYS  16 -32.155   1.994  -4.818
  129   1HB   CYS  16          2HB       CYS  16 -33.591  -0.170  -3.713
  130   2HB   CYS  16          1HB       CYS  16 -33.217  -0.627  -5.370
  131    H    GLN  17           H        GLN  17 -35.286   2.248  -6.078
  132    HA   GLN  17           HA       GLN  17 -34.982   1.138  -8.637
  133   1HB   GLN  17          2HB       GLN  17 -36.746   3.295  -7.516
  134   2HB   GLN  17          1HB       GLN  17 -36.783   2.903  -9.229
  135   1HG   GLN  17          2HG       GLN  17 -37.238   0.896  -7.036
  136   2HG   GLN  17          1HG       GLN  17 -38.527   1.779  -7.852
  137   1HE2  GLN  17          2HE2      GLN  17 -38.554  -0.229 -10.682
  138   2HE2  GLN  17          1HE2      GLN  17 -39.156   1.174  -9.873
  139    H    LEU  18           H        LEU  18 -32.779   2.997  -7.602
  140    HA   LEU  18           HA       LEU  18 -32.101   4.139 -10.130
  141   1HB   LEU  18          2HB       LEU  18 -33.000   5.902  -7.870
  142   2HB   LEU  18          1HB       LEU  18 -31.777   6.471  -8.985
  143    HG   LEU  18           HG       LEU  18 -34.646   5.793  -9.604
  144   1HD1  LEU  18          2HD1      LEU  18 -33.852   8.039  -8.597
  145   2HD1  LEU  18          1HD1      LEU  18 -33.231   8.344 -10.219
  146   3HD1  LEU  18          3HD1      LEU  18 -34.951   8.043  -9.977
  147   1HD2  LEU  18          1HD2      LEU  18 -32.291   6.085 -11.413
  148   2HD2  LEU  18          3HD2      LEU  18 -33.674   4.999 -11.537
  149   3HD2  LEU  18          2HD2      LEU  18 -33.858   6.706 -11.932
  150    H    ALA  19           H        ALA  19 -29.929   4.256 -10.312
  151    HA   ALA  19           HA       ALA  19 -28.222   3.132  -8.413
  152   1HB   ALA  19          2HB       ALA  19 -27.879   3.584 -10.949
  153   2HB   ALA  19          1HB       ALA  19 -27.194   5.113 -10.400
  154   3HB   ALA  19          3HB       ALA  19 -26.487   3.588  -9.866
  155    H    ASN  20           H        ASN  20 -26.091   4.528  -7.907
  156    HA   ASN  20           HA       ASN  20 -25.123   6.239  -6.759
  157   1HB   ASN  20          2HB       ASN  20 -27.158   7.590  -7.977
  158   2HB   ASN  20          1HB       ASN  20 -27.570   7.833  -6.284
  159   1HD2  ASN  20          2HD2      ASN  20 -24.695   9.792  -5.580
  160   2HD2  ASN  20          1HD2      ASN  20 -25.796   8.651  -4.896
  161    H    GLN  21           H        GLN  21 -28.395   6.445  -5.404
  162    HA   GLN  21           HA       GLN  21 -27.995   6.591  -2.806
  163   1HB   GLN  21          2HB       GLN  21 -30.040   5.373  -4.436
  164   2HB   GLN  21          1HB       GLN  21 -29.863   4.463  -2.943
  165   1HG   GLN  21          2HG       GLN  21 -31.497   6.047  -2.476
  166   2HG   GLN  21          1HG       GLN  21 -30.031   6.710  -1.755
  167   1HE2  GLN  21          2HE2      GLN  21 -29.679   9.143  -4.448
  168   2HE2  GLN  21          1HE2      GLN  21 -28.734   7.905  -3.701
  169    H    CYS  22           H        CYS  22 -28.606   3.245  -3.765
  170    HA   CYS  22           HA       CYS  22 -27.123   2.158  -1.646
  171   1HB   CYS  22          2HB       CYS  22 -28.955   1.068  -3.104
  172   2HB   CYS  22          1HB       CYS  22 -27.643   0.686  -4.216
  173    H    ASN  23           H        ASN  23 -26.321   2.590  -5.066
  174    HA   ASN  23           HA       ASN  23 -23.859   1.341  -5.151
  175   1HB   ASN  23          2HB       ASN  23 -25.385   2.787  -6.912
  176   2HB   ASN  23          1HB       ASN  23 -24.005   3.860  -6.690
  177   1HD2  ASN  23          2HD2      ASN  23 -21.675   1.415  -7.978
  178   2HD2  ASN  23          1HD2      ASN  23 -21.858   2.474  -6.625
  179    H    TYR  24           H        TYR  24 -24.061   4.899  -5.114
  180    HA   TYR  24           HA       TYR  24 -21.495   5.414  -4.317
  181   1HB   TYR  24          2HB       TYR  24 -22.397   7.440  -4.740
  182   2HB   TYR  24          1HB       TYR  24 -24.015   6.894  -4.323
  183    HD1  TYR  24           HD1      TYR  24 -20.840   7.435  -2.421
  184    HD2  TYR  24           HD2      TYR  24 -25.009   8.214  -2.736
  185    HE1  TYR  24           HE1      TYR  24 -20.743   8.741  -0.343
  186    HE2  TYR  24           HE2      TYR  24 -24.924   9.524  -0.656
  187    HH   TYR  24           HH       TYR  24 -23.664  10.197   1.054
  188    H    ASP  25           H        ASP  25 -24.299   4.906  -2.183
  189    HA   ASP  25           HA       ASP  25 -23.110   5.363   0.261
  190   1HB   ASP  25          2HB       ASP  25 -25.301   3.470  -0.553
  191   2HB   ASP  25          1HB       ASP  25 -24.793   3.628   1.126
  192    H    CYS  26           H        CYS  26 -23.705   2.019  -0.836
  193    HA   CYS  26           HA       CYS  26 -21.937   0.853   0.931
  194   1HB   CYS  26          2HB       CYS  26 -23.335   0.026  -1.489
  195   2HB   CYS  26          1HB       CYS  26 -21.785  -0.791  -1.315
  196    H    LYS  27           H        LYS  27 -21.328   2.251  -2.231
  197    HA   LYS  27           HA       LYS  27 -18.660   1.417  -2.520
  198   1HB   LYS  27          2HB       LYS  27 -19.972   2.285  -4.383
  199   2HB   LYS  27          1HB       LYS  27 -20.030   3.865  -3.620
  200   1HG   LYS  27          2HG       LYS  27 -17.821   4.323  -4.078
  201   2HG   LYS  27          1HG       LYS  27 -17.394   2.616  -4.226
  202   1HD   LYS  27          2HD       LYS  27 -18.742   2.514  -6.310
  203   2HD   LYS  27          1HD       LYS  27 -19.010   4.255  -6.176
  204   1HE   LYS  27          2HE       LYS  27 -16.736   4.742  -6.520
  205   2HE   LYS  27          1HE       LYS  27 -16.249   3.077  -6.205
  206   1HZ   LYS  27          2HZ       LYS  27 -17.991   3.723  -8.494
  207   2HZ   LYS  27          1HZ       LYS  27 -16.314   3.901  -8.615
  208   3HZ   LYS  27          3HZ       LYS  27 -16.982   2.385  -8.272
  209    H    LEU  28           H        LEU  28 -19.731   3.082   0.015
  210    HA   LEU  28           HA       LEU  28 -17.133   4.173   0.579
  211   1HB   LEU  28          2HB       LEU  28 -18.088   5.959  -0.796
  212   2HB   LEU  28          1HB       LEU  28 -19.462   6.068   0.286
  213    HG   LEU  28           HG       LEU  28 -16.855   6.399   1.620
  214   1HD1  LEU  28          1HD1      LEU  28 -16.409   7.519  -0.544
  215   2HD1  LEU  28          3HD1      LEU  28 -17.806   8.558  -0.256
  216   3HD1  LEU  28          2HD1      LEU  28 -16.417   8.625   0.831
  217   1HD2  LEU  28          3HD2      LEU  28 -19.154   6.749   2.605
  218   2HD2  LEU  28          2HD2      LEU  28 -17.999   8.060   2.849
  219   3HD2  LEU  28          1HD2      LEU  28 -19.256   8.208   1.621
  220    H    ASP  29           H        ASP  29 -20.370   3.394   1.512
  221    HA   ASP  29           HA       ASP  29 -20.214   4.289   4.212
  222   1HB   ASP  29          2HB       ASP  29 -22.075   2.687   2.580
  223   2HB   ASP  29          1HB       ASP  29 -22.026   2.213   4.274
  224    H    LYS  30           H        LYS  30 -19.942   1.060   2.742
  225    HA   LYS  30           HA       LYS  30 -18.549   0.104   5.145
  226   1HB   LYS  30          2HB       LYS  30 -19.684  -1.455   2.816
  227   2HB   LYS  30          1HB       LYS  30 -18.995  -2.147   4.278
  228   1HG   LYS  30          2HG       LYS  30 -20.787  -1.481   5.601
  229   2HG   LYS  30          1HG       LYS  30 -21.324  -0.275   4.434
  230   1HD   LYS  30          2HD       LYS  30 -22.894  -1.910   4.098
  231   2HD   LYS  30          1HD       LYS  30 -21.692  -2.395   2.904
  232   1HE   LYS  30          2HE       LYS  30 -22.221  -4.379   3.999
  233   2HE   LYS  30          1HE       LYS  30 -20.723  -3.862   4.776
  234   1HZ   LYS  30          1HZ       LYS  30 -22.569  -2.685   6.316
  235   2HZ   LYS  30          3HZ       LYS  30 -23.392  -4.094   5.871
  236   3HZ   LYS  30          2HZ       LYS  30 -21.889  -4.198   6.643
  237    H    HIS  31           H        HIS  31 -17.774   1.566   2.386
  238    HA   HIS  31           HA       HIS  31 -15.821   1.840   1.250
  239   1HB   HIS  31          2HB       HIS  31 -14.549  -0.344   2.884
  240   2HB   HIS  31          1HB       HIS  31 -13.785   1.053   2.131
  241    HD1  HIS  31           HD1      HIS  31 -14.964  -0.134   5.312
  242    HD2  HIS  31           HD2      HIS  31 -14.642   3.575   3.467
  243    HE1  HIS  31           HE1      HIS  31 -15.087   1.554   7.171
  244    HE2  HIS  31           HE2      HIS  31 -14.941   3.792   6.027
  245    H    ALA  32           H        ALA  32 -17.759   0.268   0.158
  246    HA   ALA  32           HA       ALA  32 -16.553  -2.189  -0.796
  247   1HB   ALA  32          2HB       ALA  32 -19.053  -1.768  -0.220
  248   2HB   ALA  32          1HB       ALA  32 -19.126  -1.101  -1.850
  249   3HB   ALA  32          3HB       ALA  32 -18.633  -2.777  -1.604
  250    H    ARG  33           H        ARG  33 -18.084  -1.806  -3.382
  251    HA   ARG  33           HA       ARG  33 -16.391   0.145  -4.748
  252   1HB   ARG  33          2HB       ARG  33 -16.365  -2.813  -5.201
  253   2HB   ARG  33          1HB       ARG  33 -16.114  -1.737  -6.567
  254   1HG   ARG  33          2HG       ARG  33 -14.472  -1.787  -4.043
  255   2HG   ARG  33          1HG       ARG  33 -14.005  -2.478  -5.599
  256   1HD   ARG  33          2HD       ARG  33 -12.988  -0.481  -5.891
  257   2HD   ARG  33          1HD       ARG  33 -14.605   0.062  -6.337
  258    HE   ARG  33           HE       ARG  33 -14.766   0.624  -3.834
  259   1HH1  ARG  33          1HH2      ARG  33 -11.853   0.832  -5.740
  260   2HH1  ARG  33          2HH2      ARG  33 -11.167   2.100  -4.783
  261   1HH2  ARG  33          2HH1      ARG  33 -13.868   2.284  -2.565
  262   2HH2  ARG  33          1HH1      ARG  33 -12.307   2.920  -2.968
  263    H    SER  34           H        SER  34 -19.197  -1.967  -4.738
  264    HA   SER  34           HA       SER  34 -20.601  -0.088  -6.426
  265   1HB   SER  34          2HB       SER  34 -21.293  -2.164  -7.931
  266   2HB   SER  34          1HB       SER  34 -19.852  -1.210  -8.287
  267    HG   SER  34           HG       SER  34 -20.076  -3.795  -7.273
  268    H    GLY  35           H        GLY  35 -22.503   0.169  -5.478
  269   1HA   GLY  35          2HA       GLY  35 -23.707  -2.092  -4.021
  270   2HA   GLY  35          1HA       GLY  35 -24.044  -0.402  -3.713
  271    H    GLU  36           H        GLU  36 -24.347  -2.900  -6.212
  272    HA   GLU  36           HA       GLU  36 -26.395  -1.500  -7.628
  273   1HB   GLU  36          2HB       GLU  36 -25.290  -4.288  -7.792
  274   2HB   GLU  36          1HB       GLU  36 -26.678  -3.793  -8.754
  275   1HG   GLU  36          2HG       GLU  36 -25.414  -2.161  -9.907
  276   2HG   GLU  36          1HG       GLU  36 -24.063  -2.318  -8.786
  277    H    CYS  37           H        CYS  37 -28.422  -2.964  -8.197
  278    HA   CYS  37           HA       CYS  37 -29.591  -4.202  -5.850
  279   1HB   CYS  37          2HB       CYS  37 -30.106  -1.482  -6.473
  280   2HB   CYS  37          1HB       CYS  37 -31.568  -2.377  -6.872
  281    H    PHE  38           H        PHE  38 -31.213  -5.698  -6.357
  282    HA   PHE  38           HA       PHE  38 -32.163  -5.791  -9.114
  283   1HB   PHE  38          2HB       PHE  38 -30.528  -8.002  -7.866
  284   2HB   PHE  38          1HB       PHE  38 -31.457  -8.174  -9.354
  285    HD1  PHE  38           HD2      PHE  38 -30.980  -6.332 -11.150
  286    HD2  PHE  38           HD1      PHE  38 -28.300  -7.432  -8.031
  287    HE1  PHE  38           HE2      PHE  38 -29.099  -5.429 -12.457
  288    HE2  PHE  38           HE1      PHE  38 -26.412  -6.527  -9.332
  289    HZ   PHE  38           HZ       PHE  38 -26.811  -5.523 -11.546
  290    H    TYR  39           H        TYR  39 -33.983  -6.842  -9.480
  291    HA   TYR  39           HA       TYR  39 -35.197  -8.688  -7.746
  292   1HB   TYR  39          2HB       TYR  39 -36.507  -7.452  -6.405
  293   2HB   TYR  39          1HB       TYR  39 -35.449  -6.122  -6.846
  294    HD1  TYR  39           HD2      TYR  39 -36.266  -5.341  -9.449
  295    HD2  TYR  39           HD1      TYR  39 -38.612  -6.697  -6.152
  296    HE1  TYR  39           HE2      TYR  39 -38.184  -4.053 -10.298
  297    HE2  TYR  39           HE1      TYR  39 -40.522  -5.390  -6.991
  298    HH   TYR  39           HH       TYR  39 -40.488  -3.018  -8.860
  299    H    ASP  40           H        ASP  40 -37.359  -9.349  -8.567
  300    HA   ASP  40           HA       ASP  40 -37.509  -8.914 -11.449
  301   1HB   ASP  40          2HB       ASP  40 -39.194 -10.881 -11.232
  302   2HB   ASP  40          1HB       ASP  40 -37.468 -11.200 -11.100
  303    H    GLU  41           H        GLU  41 -40.104  -9.774  -9.350
  304    HA   GLU  41           HA       GLU  41 -41.368  -7.257  -9.600
  305   1HB   GLU  41          2HB       GLU  41 -41.616  -8.666 -11.867
  306   2HB   GLU  41          1HB       GLU  41 -42.994  -9.320 -10.994
  307   1HG   GLU  41          2HG       GLU  41 -42.586  -6.363 -11.281
  308   2HG   GLU  41          1HG       GLU  41 -43.372  -7.317 -12.535
  309    H    LYS  42           H        LYS  42 -40.827  -9.882  -7.911
  310    HA   LYS  42           HA       LYS  42 -43.499 -10.165  -6.743
  311   1HB   LYS  42          2HB       LYS  42 -41.053 -11.848  -6.846
  312   2HB   LYS  42          1HB       LYS  42 -41.922 -11.892  -5.323
  313   1HG   LYS  42          2HG       LYS  42 -43.184 -13.501  -6.227
  314   2HG   LYS  42          1HG       LYS  42 -43.931 -12.250  -7.212
  315   1HD   LYS  42          2HD       LYS  42 -41.433 -13.712  -8.056
  316   2HD   LYS  42          1HD       LYS  42 -43.055 -14.285  -8.437
  317   1HE   LYS  42          2HE       LYS  42 -42.197 -11.497  -9.117
  318   2HE   LYS  42          1HE       LYS  42 -41.824 -12.849 -10.180
  319   1HZ   LYS  42          2HZ       LYS  42 -44.532 -12.983  -9.461
  320   2HZ   LYS  42          1HZ       LYS  42 -44.206 -11.413 -10.000
  321   3HZ   LYS  42          3HZ       LYS  42 -43.862 -12.738 -10.994
  322    H    ARG  43           H        ARG  43 -41.025  -8.164  -6.545
  323    HA   ARG  43           HA       ARG  43 -40.553  -6.514  -5.037
  324   1HB   ARG  43          2HB       ARG  43 -42.931  -7.157  -4.151
  325   2HB   ARG  43          1HB       ARG  43 -42.028  -7.933  -2.858
  326   1HG   ARG  43          2HG       ARG  43 -40.924  -5.361  -3.118
  327   2HG   ARG  43          1HG       ARG  43 -42.672  -5.146  -3.213
  328   1HD   ARG  43          2HD       ARG  43 -41.767  -5.007  -0.908
  329   2HD   ARG  43          1HD       ARG  43 -42.980  -6.268  -1.118
  330    HE   ARG  43           HE       ARG  43 -41.139  -7.876  -1.183
  331   1HH1  ARG  43          1HH2      ARG  43 -40.478  -4.718   0.164
  332   2HH1  ARG  43          2HH2      ARG  43 -39.119  -5.263   1.086
  333   1HH2  ARG  43          2HH1      ARG  43 -39.349  -8.585   0.021
  334   2HH2  ARG  43          1HH1      ARG  43 -38.476  -7.458   1.003
  335    H    ASN  44           H        ASN  44 -39.219  -9.211  -5.363
  336    HA   ASN  44           HA       ASN  44 -37.873  -9.404  -2.790
  337   1HB   ASN  44          2HB       ASN  44 -37.956 -11.172  -5.204
  338   2HB   ASN  44          1HB       ASN  44 -36.623 -11.303  -4.061
  339   1HD2  ASN  44          2HD2      ASN  44 -39.546 -13.567  -3.235
  340   2HD2  ASN  44          1HD2      ASN  44 -38.764 -13.203  -4.732
  341    H    LEU  45           H        LEU  45 -37.047  -7.298  -3.086
  342    HA   LEU  45           HA       LEU  45 -34.882  -7.018  -5.007
  343   1HB   LEU  45          2HB       LEU  45 -36.460  -5.220  -5.024
  344   2HB   LEU  45          1HB       LEU  45 -36.383  -5.075  -3.277
  345    HG   LEU  45           HG       LEU  45 -34.000  -4.316  -3.510
  346   1HD1  LEU  45          3HD1      LEU  45 -33.665  -5.287  -5.782
  347   2HD1  LEU  45          2HD1      LEU  45 -34.707  -4.019  -6.423
  348   3HD1  LEU  45          1HD1      LEU  45 -33.186  -3.598  -5.638
  349   1HD2  LEU  45          1HD2      LEU  45 -36.258  -2.750  -4.725
  350   2HD2  LEU  45          3HD2      LEU  45 -35.641  -2.679  -3.075
  351   3HD2  LEU  45          2HD2      LEU  45 -34.670  -2.057  -4.406
  352    H    GLN  46           H        GLN  46 -32.807  -6.736  -4.564
  353    HA   GLN  46           HA       GLN  46 -31.972  -6.555  -1.763
  354   1HB   GLN  46          2HB       GLN  46 -31.158  -8.735  -3.682
  355   2HB   GLN  46          1HB       GLN  46 -30.239  -8.351  -2.231
  356   1HG   GLN  46          2HG       GLN  46 -32.355  -8.753  -0.925
  357   2HG   GLN  46          1HG       GLN  46 -33.050  -9.394  -2.413
  358   1HE2  GLN  46          2HE2      GLN  46 -30.302 -11.527  -0.301
  359   2HE2  GLN  46          1HE2      GLN  46 -30.597  -9.858   0.034
  360    H    CYS  47           H        CYS  47 -30.006  -5.595  -1.431
  361    HA   CYS  47           HA       CYS  47 -28.906  -4.132  -3.713
  362   1HB   CYS  47          2HB       CYS  47 -29.329  -3.570  -0.903
  363   2HB   CYS  47          1HB       CYS  47 -27.663  -3.245  -1.357
  364    H    ILE  48           H        ILE  48 -27.243  -5.145  -4.726
  365    HA   ILE  48           HA       ILE  48 -25.503  -6.906  -3.197
  366    HB   ILE  48           HB       ILE  48 -25.624  -6.298  -6.145
  367   1HG1  ILE  48          2HG1      ILE  48 -27.311  -7.842  -4.931
  368   2HG1  ILE  48          1HG1      ILE  48 -26.524  -8.451  -6.382
  369   1HG2  ILE  48          3HG2      ILE  48 -23.620  -7.890  -4.570
  370   2HG2  ILE  48          2HG2      ILE  48 -23.933  -8.209  -6.278
  371   3HG2  ILE  48          1HG2      ILE  48 -23.329  -6.632  -5.772
  372   1HD1  ILE  48          1HD1      ILE  48 -25.122  -9.049  -3.873
  373   2HD1  ILE  48          3HD1      ILE  48 -26.705  -9.803  -4.055
  374   3HD1  ILE  48          2HD1      ILE  48 -25.455 -10.076  -5.268
  375    H    CYS  49           H        CYS  49 -23.866  -6.063  -2.098
  376    HA   CYS  49           HA       CYS  49 -22.496  -3.694  -3.177
  377   1HB   CYS  49          2HB       CYS  49 -22.538  -4.772  -0.356
  378   2HB   CYS  49          1HB       CYS  49 -21.667  -3.333  -0.883
  379    H    ASP  50           H        ASP  50 -20.873  -4.321  -4.432
  380    HA   ASP  50           HA       ASP  50 -19.165  -6.544  -3.586
  381   1HB   ASP  50          2HB       ASP  50 -19.880  -6.672  -5.895
  382   2HB   ASP  50          1HB       ASP  50 -19.337  -5.025  -6.199
  383    H    TYR  51           H        TYR  51 -17.128  -6.320  -2.972
  384    HA   TYR  51           HA       TYR  51 -16.162  -3.586  -2.534
  385   1HB   TYR  51          2HB       TYR  51 -15.436  -6.220  -1.268
  386   2HB   TYR  51          1HB       TYR  51 -14.647  -4.695  -0.874
  387    HD1  TYR  51           HD1      TYR  51 -18.115  -6.082  -1.145
  388    HD2  TYR  51           HD2      TYR  51 -15.408  -3.611   1.018
  389    HE1  TYR  51           HE1      TYR  51 -19.866  -5.634   0.519
  390    HE2  TYR  51           HE2      TYR  51 -17.151  -3.160   2.693
  391    HH   TYR  51           HH       TYR  51 -19.676  -4.867   3.230
  392    H    CYS  52           H        CYS  52 -15.444  -6.493  -4.264
  393    HA   CYS  52           HA       CYS  52 -13.098  -5.177  -5.434
  394   1HB   CYS  52          2HB       CYS  52 -12.544  -7.994  -5.314
  395   2HB   CYS  52          1HB       CYS  52 -11.643  -6.669  -4.587
  396    H    GLU  53           H        GLU  53 -14.274  -8.460  -5.847
  397    HA   GLU  53           HA       GLU  53 -15.916  -9.081  -7.521
  398   1HB   GLU  53          2HB       GLU  53 -15.861  -8.191  -9.741
  399   2HB   GLU  53          1HB       GLU  53 -15.921  -6.837  -8.631
  400   1HG   GLU  53          2HG       GLU  53 -14.239  -6.017  -9.886
  401   2HG   GLU  53          1HG       GLU  53 -13.226  -7.141  -8.979
  402    H    TYR  54           HN       TYR  54 -13.312  -9.901  -6.458
  403    HA   TYR  54           HA       TYR  54 -11.418 -10.788  -8.137
  404   1HB   TYR  54          2HB       TYR  54 -12.527 -11.722  -5.632
  405   2HB   TYR  54          1HB       TYR  54 -11.995 -13.088  -6.606
  406    HD1  TYR  54           HD2      TYR  54 -10.744  -9.683  -5.664
  407    HD2  TYR  54           HD1      TYR  54  -9.839 -13.797  -6.267
  408    HE1  TYR  54           HE2      TYR  54  -8.424  -9.270  -4.961
  409    HE2  TYR  54           HE1      TYR  54  -7.517 -13.394  -5.563
  410    HH   TYR  54           HH       TYR  54  -6.352 -11.576  -4.020
   
  No H/Q in entry =         410
  Start of MODEL   41
    1    HN   PCA   1           HN       PCA   1 -10.788 -16.283   3.398
    2    HA   PCA   1           HA       PCA   1 -10.833 -16.307   0.851
    3   1HB   PCA   1          1HB       PCA   1 -10.800 -18.365  -0.088
    4   2HB   PCA   1          2HB       PCA   1 -12.417 -18.706   0.569
    5   1HG   PCA   1          1HG       PCA   1  -9.856 -19.665   1.518
    6   2HG   PCA   1          2HG       PCA   1 -11.465 -20.019   2.176
    7    H    ASP   2           H        ASP   2 -12.223 -14.605   0.992
    8    HA   ASP   2           HA       ASP   2 -15.005 -15.111   1.786
    9   1HB   ASP   2          2HB       ASP   2 -13.585 -13.201   2.771
   10   2HB   ASP   2          1HB       ASP   2 -13.811 -12.406   1.215
   11    H    LYS   3           H        LYS   3 -16.649 -13.771   0.532
   12    HA   LYS   3           HA       LYS   3 -16.385 -14.466  -2.265
   13   1HB   LYS   3          2HB       LYS   3 -18.536 -14.088  -0.407
   14   2HB   LYS   3          1HB       LYS   3 -18.807 -13.032  -1.785
   15   1HG   LYS   3          2HG       LYS   3 -18.138 -15.928  -2.162
   16   2HG   LYS   3          1HG       LYS   3 -19.789 -15.398  -1.835
   17   1HD   LYS   3          2HD       LYS   3 -19.563 -13.832  -3.788
   18   2HD   LYS   3          1HD       LYS   3 -18.035 -14.631  -4.162
   19   1HE   LYS   3          2HE       LYS   3 -20.645 -16.105  -3.893
   20   2HE   LYS   3          1HE       LYS   3 -20.054 -15.465  -5.426
   21   1HZ   LYS   3          2HZ       LYS   3 -17.934 -16.857  -4.443
   22   2HZ   LYS   3          1HZ       LYS   3 -19.254 -17.820  -4.006
   23   3HZ   LYS   3          3HZ       LYS   3 -19.009 -17.404  -5.628
   24    H    CYS   4           H        CYS   4 -17.842 -12.578  -3.541
   25    HA   CYS   4           HA       CYS   4 -16.144 -10.172  -3.342
   26   1HB   CYS   4          2HB       CYS   4 -17.030 -11.853  -5.607
   27   2HB   CYS   4          1HB       CYS   4 -17.048 -10.112  -5.899
   28    H    LYS   5           H        LYS   5 -19.369 -11.374  -4.220
   29    HA   LYS   5           HA       LYS   5 -20.465  -8.673  -3.945
   30   1HB   LYS   5          2HB       LYS   5 -22.425  -9.488  -5.036
   31   2HB   LYS   5          1HB       LYS   5 -21.039 -10.082  -5.934
   32   1HG   LYS   5          2HG       LYS   5 -22.258 -12.001  -5.858
   33   2HG   LYS   5          1HG       LYS   5 -21.354 -12.181  -4.355
   34   1HD   LYS   5          2HD       LYS   5 -23.201 -11.607  -3.039
   35   2HD   LYS   5          1HD       LYS   5 -24.049 -10.850  -4.387
   36   1HE   LYS   5          2HE       LYS   5 -24.997 -13.039  -3.716
   37   2HE   LYS   5          1HE       LYS   5 -24.470 -12.979  -5.397
   38   1HZ   LYS   5          1HZ       LYS   5 -22.872 -14.133  -3.176
   39   2HZ   LYS   5          3HZ       LYS   5 -23.820 -15.037  -4.247
   40   3HZ   LYS   5          2HZ       LYS   5 -22.486 -14.170  -4.823
   41    H    LYS   6           H        LYS   6 -22.103  -8.168  -2.478
   42    HA   LYS   6           HA       LYS   6 -22.992 -10.204  -0.609
   43   1HB   LYS   6          2HB       LYS   6 -21.564  -7.738   0.395
   44   2HB   LYS   6          1HB       LYS   6 -22.243  -9.031   1.373
   45   1HG   LYS   6          2HG       LYS   6 -20.620 -10.593   0.296
   46   2HG   LYS   6          1HG       LYS   6 -19.877  -9.192  -0.478
   47   1HD   LYS   6          2HD       LYS   6 -18.553  -9.279   1.372
   48   2HD   LYS   6          1HD       LYS   6 -19.868  -8.320   2.052
   49   1HE   LYS   6          2HE       LYS   6 -19.654 -11.322   2.248
   50   2HE   LYS   6          1HE       LYS   6 -19.136 -10.199   3.506
   51   1HZ   LYS   6          3HZ       LYS   6 -21.908 -10.395   2.456
   52   2HZ   LYS   6          2HZ       LYS   6 -21.368 -11.112   3.890
   53   3HZ   LYS   6          1HZ       LYS   6 -21.384  -9.427   3.743
   54    H    VAL   7           H        VAL   7 -25.079  -9.936  -0.311
   55    HA   VAL   7           HA       VAL   7 -26.496  -7.655  -1.198
   56    HB   VAL   7           HB       VAL   7 -28.433  -8.776  -0.679
   57   1HG1  VAL   7          3HG1      VAL   7 -26.734 -10.207  -1.989
   58   2HG1  VAL   7          2HG1      VAL   7 -26.664 -11.181  -0.520
   59   3HG1  VAL   7          1HG1      VAL   7 -28.196 -10.975  -1.369
   60   1HG2  VAL   7          2HG2      VAL   7 -26.968  -9.817   1.721
   61   2HG2  VAL   7          1HG2      VAL   7 -28.466  -8.888   1.646
   62   3HG2  VAL   7          3HG2      VAL   7 -28.457 -10.585   1.169
   63    H    TYR   8           H        TYR   8 -27.691  -6.126   0.015
   64    HA   TYR   8           HA       TYR   8 -26.366  -5.351   2.473
   65   1HB   TYR   8          2HB       TYR   8 -27.250  -3.817   0.514
   66   2HB   TYR   8          1HB       TYR   8 -28.766  -3.915   1.403
   67    HD1  TYR   8           HD2      TYR   8 -28.076  -3.744   4.166
   68    HD2  TYR   8           HD1      TYR   8 -26.249  -1.770   0.870
   69    HE1  TYR   8           HE2      TYR   8 -27.311  -1.959   5.670
   70    HE2  TYR   8           HE1      TYR   8 -25.476   0.020   2.367
   71    HH   TYR   8           HH       TYR   8 -26.175  -0.064   5.850
   72    H    GLU   9           H        GLU   9 -27.041  -7.159   3.755
   73    HA   GLU   9           HA       GLU   9 -29.717  -7.870   4.183
   74   1HB   GLU   9          2HB       GLU   9 -28.841  -8.813   6.369
   75   2HB   GLU   9          1HB       GLU   9 -28.081  -9.409   4.902
   76   1HG   GLU   9          2HG       GLU   9 -26.217  -7.847   5.259
   77   2HG   GLU   9          1HG       GLU   9 -26.971  -7.320   6.762
   78    H    ASN  10           H        ASN  10 -30.531  -5.649   4.205
   79    HA   ASN  10           HA       ASN  10 -32.001  -4.637   5.933
   80   1HB   ASN  10          2HB       ASN  10 -30.659  -5.161   7.883
   81   2HB   ASN  10          1HB       ASN  10 -29.327  -4.173   7.277
   82   1HD2  ASN  10          2HD2      ASN  10 -30.446  -1.440   9.021
   83   2HD2  ASN  10          1HD2      ASN  10 -29.148  -2.440   8.474
   84    H    TYR  11           H        TYR  11 -32.608  -3.202   4.424
   85    HA   TYR  11           HA       TYR  11 -31.530  -0.627   4.383
   86   1HB   TYR  11          2HB       TYR  11 -29.681  -1.686   3.120
   87   2HB   TYR  11          1HB       TYR  11 -30.840  -2.248   1.922
   88    HD1  TYR  11           HD2      TYR  11 -29.254   0.758   3.372
   89    HD2  TYR  11           HD1      TYR  11 -31.617  -0.808   0.199
   90    HE1  TYR  11           HE2      TYR  11 -28.979   2.867   2.136
   91    HE2  TYR  11           HE1      TYR  11 -31.350   1.295  -1.047
   92    HH   TYR  11           HH       TYR  11 -29.228   3.326  -0.801
   93    HA   PRO  12           HA       PRO  12 -35.629  -0.366   2.590
   94   1HB   PRO  12          2HB       PRO  12 -35.910   2.290   2.497
   95   2HB   PRO  12          1HB       PRO  12 -35.856   1.430   4.042
   96   1HG   PRO  12          2HG       PRO  12 -33.675   2.930   2.636
   97   2HG   PRO  12          1HG       PRO  12 -34.133   2.973   4.349
   98   1HD   PRO  12          2HD       PRO  12 -32.058   1.477   3.377
   99   2HD   PRO  12          1HD       PRO  12 -32.982   1.052   4.832
  100    H    VAL  13           H        VAL  13 -36.069  -0.775   0.523
  101    HA   VAL  13           HA       VAL  13 -34.427  -0.098  -1.650
  102    HB   VAL  13           HB       VAL  13 -37.357  -0.651  -1.988
  103   1HG1  VAL  13          3HG1      VAL  13 -35.788  -0.194  -3.920
  104   2HG1  VAL  13          2HG1      VAL  13 -35.004  -1.724  -3.524
  105   3HG1  VAL  13          1HG1      VAL  13 -36.702  -1.700  -4.002
  106   1HG2  VAL  13          3HG2      VAL  13 -35.263  -2.471  -0.892
  107   2HG2  VAL  13          2HG2      VAL  13 -36.966  -2.323  -0.457
  108   3HG2  VAL  13          1HG2      VAL  13 -36.506  -3.130  -1.956
  109    H    SER  14           H        SER  14 -34.821   2.277  -0.289
  110    HA   SER  14           HA       SER  14 -36.868   3.917  -1.286
  111   1HB   SER  14          2HB       SER  14 -35.257   5.800  -0.630
  112   2HB   SER  14          1HB       SER  14 -35.738   4.682   0.646
  113    HG   SER  14           HG       SER  14 -33.682   4.385   0.905
  114    H    LYS  15           H        LYS  15 -33.964   5.478  -1.921
  115    HA   LYS  15           HA       LYS  15 -34.630   5.979  -4.625
  116   1HB   LYS  15          2HB       LYS  15 -32.065   6.495  -3.111
  117   2HB   LYS  15          1HB       LYS  15 -32.419   7.117  -4.718
  118   1HG   LYS  15          2HG       LYS  15 -34.588   8.012  -3.424
  119   2HG   LYS  15          1HG       LYS  15 -33.447   7.972  -2.079
  120   1HD   LYS  15          2HD       LYS  15 -31.915   9.406  -3.276
  121   2HD   LYS  15          1HD       LYS  15 -32.933   9.349  -4.716
  122   1HE   LYS  15          2HE       LYS  15 -34.319  10.254  -2.284
  123   2HE   LYS  15          1HE       LYS  15 -33.019  11.317  -2.822
  124   1HZ   LYS  15          3HZ       LYS  15 -34.967  10.349  -4.794
  125   2HZ   LYS  15          2HZ       LYS  15 -35.419  11.596  -3.744
  126   3HZ   LYS  15          1HZ       LYS  15 -34.087  11.795  -4.769
  127    H    CYS  16           H        CYS  16 -34.106   3.118  -3.824
  128    HA   CYS  16           HA       CYS  16 -31.717   2.267  -5.069
  129   1HB   CYS  16          2HB       CYS  16 -33.856   1.052  -3.661
  130   2HB   CYS  16          1HB       CYS  16 -33.735   0.211  -5.201
  131    H    GLN  17           H        GLN  17 -34.841   3.122  -6.280
  132    HA   GLN  17           HA       GLN  17 -34.723   1.761  -8.758
  133   1HB   GLN  17          2HB       GLN  17 -36.227   4.256  -7.951
  134   2HB   GLN  17          1HB       GLN  17 -36.483   3.381  -9.455
  135   1HG   GLN  17          2HG       GLN  17 -37.204   1.425  -8.229
  136   2HG   GLN  17          1HG       GLN  17 -36.869   2.235  -6.699
  137   1HE2  GLN  17          2HE2      GLN  17 -39.875   3.961  -6.586
  138   2HE2  GLN  17          1HE2      GLN  17 -38.335   3.638  -5.872
  139    H    LEU  18           H        LEU  18 -32.476   3.687  -7.754
  140    HA   LEU  18           HA       LEU  18 -31.652   4.517 -10.373
  141   1HB   LEU  18          2HB       LEU  18 -32.574   6.538  -8.351
  142   2HB   LEU  18          1HB       LEU  18 -31.320   6.950  -9.500
  143    HG   LEU  18           HG       LEU  18 -34.186   6.228 -10.114
  144   1HD1  LEU  18          2HD1      LEU  18 -33.489   8.550  -9.291
  145   2HD1  LEU  18          1HD1      LEU  18 -32.722   8.724 -10.869
  146   3HD1  LEU  18          3HD1      LEU  18 -34.459   8.438 -10.760
  147   1HD2  LEU  18          2HD2      LEU  18 -31.787   6.414 -11.892
  148   2HD2  LEU  18          1HD2      LEU  18 -33.116   5.256 -11.926
  149   3HD2  LEU  18          3HD2      LEU  18 -33.371   6.905 -12.492
  150    H    ALA  19           H        ALA  19 -29.529   4.224 -10.441
  151    HA   ALA  19           HA       ALA  19 -27.963   3.467  -8.273
  152   1HB   ALA  19          2HB       ALA  19 -27.382   2.988 -10.605
  153   2HB   ALA  19          1HB       ALA  19 -27.030   4.697 -10.860
  154   3HB   ALA  19          3HB       ALA  19 -26.046   3.753  -9.743
  155    H    ASN  20           H        ASN  20 -27.640   4.710  -6.525
  156    HA   ASN  20           HA       ASN  20 -26.015   7.004  -6.662
  157   1HB   ASN  20          2HB       ASN  20 -28.121   8.003  -7.521
  158   2HB   ASN  20          1HB       ASN  20 -28.911   7.576  -6.008
  159   1HD2  ASN  20          2HD2      ASN  20 -26.011   9.930  -4.779
  160   2HD2  ASN  20          1HD2      ASN  20 -25.872   8.244  -5.131
  161    H    GLN  21           H        GLN  21 -28.728   6.845  -4.442
  162    HA   GLN  21           HA       GLN  21 -27.339   7.090  -2.115
  163   1HB   GLN  21          2HB       GLN  21 -29.893   6.998  -2.570
  164   2HB   GLN  21          1HB       GLN  21 -29.731   5.278  -2.241
  165   1HG   GLN  21          2HG       GLN  21 -30.074   5.821  -0.095
  166   2HG   GLN  21          1HG       GLN  21 -28.416   6.417  -0.112
  167   1HE2  GLN  21          2HE2      GLN  21 -29.354   9.843  -0.252
  168   2HE2  GLN  21          1HE2      GLN  21 -28.160   8.715  -0.788
  169    H    CYS  22           H        CYS  22 -28.601   3.949  -3.237
  170    HA   CYS  22           HA       CYS  22 -27.217   2.369  -1.421
  171   1HB   CYS  22          2HB       CYS  22 -29.107   1.637  -2.888
  172   2HB   CYS  22          1HB       CYS  22 -27.978   1.580  -4.238
  173    H    ASN  23           H        ASN  23 -26.335   3.088  -4.798
  174    HA   ASN  23           HA       ASN  23 -23.953   1.705  -4.929
  175   1HB   ASN  23          2HB       ASN  23 -25.177   2.999  -6.772
  176   2HB   ASN  23          1HB       ASN  23 -24.313   4.419  -6.190
  177   1HD2  ASN  23          2HD2      ASN  23 -22.466   2.753  -8.977
  178   2HD2  ASN  23          1HD2      ASN  23 -24.099   3.279  -8.772
  179    H    TYR  24           H        TYR  24 -24.014   5.244  -4.552
  180    HA   TYR  24           HA       TYR  24 -21.432   5.589  -3.709
  181   1HB   TYR  24          2HB       TYR  24 -22.201   7.696  -3.869
  182   2HB   TYR  24          1HB       TYR  24 -23.864   7.154  -3.698
  183    HD1  TYR  24           HD1      TYR  24 -20.909   7.355  -1.427
  184    HD2  TYR  24           HD2      TYR  24 -25.003   8.314  -2.071
  185    HE1  TYR  24           HE1      TYR  24 -21.003   8.403   0.787
  186    HE2  TYR  24           HE2      TYR  24 -25.110   9.372   0.147
  187    HH   TYR  24           HH       TYR  24 -23.380  10.463   1.754
  188    H    ASP  25           H        ASP  25 -24.251   4.880  -1.668
  189    HA   ASP  25           HA       ASP  25 -23.019   5.086   0.811
  190   1HB   ASP  25          2HB       ASP  25 -25.293   3.349  -0.134
  191   2HB   ASP  25          1HB       ASP  25 -24.766   3.374   1.546
  192    H    CYS  26           H        CYS  26 -23.800   1.896  -0.587
  193    HA   CYS  26           HA       CYS  26 -22.045   0.486   1.015
  194   1HB   CYS  26          2HB       CYS  26 -23.600  -0.061  -1.368
  195   2HB   CYS  26          1HB       CYS  26 -22.064  -0.923  -1.413
  196    H    LYS  27           H        LYS  27 -21.431   2.238  -1.954
  197    HA   LYS  27           HA       LYS  27 -18.882   1.251  -2.538
  198   1HB   LYS  27          2HB       LYS  27 -20.223   2.679  -4.053
  199   2HB   LYS  27          1HB       LYS  27 -19.900   4.055  -3.007
  200   1HG   LYS  27          2HG       LYS  27 -17.809   4.340  -3.808
  201   2HG   LYS  27          1HG       LYS  27 -17.506   2.605  -3.906
  202   1HD   LYS  27          2HD       LYS  27 -18.695   2.450  -5.982
  203   2HD   LYS  27          1HD       LYS  27 -19.250   4.119  -5.848
  204   1HE   LYS  27          2HE       LYS  27 -17.255   4.976  -6.530
  205   2HE   LYS  27          1HE       LYS  27 -16.321   3.682  -5.781
  206   1HZ   LYS  27          1HZ       LYS  27 -17.312   2.235  -7.624
  207   2HZ   LYS  27          3HZ       LYS  27 -17.678   3.695  -8.400
  208   3HZ   LYS  27          2HZ       LYS  27 -16.072   3.309  -8.039
  209    H    LEU  28           H        LEU  28 -19.765   2.610   0.309
  210    HA   LEU  28           HA       LEU  28 -17.033   3.108   1.047
  211   1HB   LEU  28          2HB       LEU  28 -17.459   5.235   0.030
  212   2HB   LEU  28          1HB       LEU  28 -18.974   5.405   0.896
  213    HG   LEU  28           HG       LEU  28 -17.690   5.527   3.028
  214   1HD1  LEU  28          3HD1      LEU  28 -15.374   5.375   1.125
  215   2HD1  LEU  28          2HD1      LEU  28 -15.230   6.109   2.721
  216   3HD1  LEU  28          1HD1      LEU  28 -15.681   4.411   2.569
  217   1HD2  LEU  28          2HD2      LEU  28 -17.305   7.521   0.831
  218   2HD2  LEU  28          1HD2      LEU  28 -18.349   7.610   2.249
  219   3HD2  LEU  28          3HD2      LEU  28 -16.603   7.797   2.425
  220    H    ASP  29           H        ASP  29 -20.433   3.075   1.871
  221    HA   ASP  29           HA       ASP  29 -20.079   3.373   4.679
  222   1HB   ASP  29          2HB       ASP  29 -22.322   2.545   2.892
  223   2HB   ASP  29          1HB       ASP  29 -22.440   2.154   4.605
  224    H    LYS  30           H        LYS  30 -20.580   0.541   2.586
  225    HA   LYS  30           HA       LYS  30 -19.891  -1.220   4.832
  226   1HB   LYS  30          2HB       LYS  30 -21.307  -1.612   2.221
  227   2HB   LYS  30          1HB       LYS  30 -20.570  -2.992   3.019
  228   1HG   LYS  30          2HG       LYS  30 -22.532  -1.172   4.385
  229   2HG   LYS  30          1HG       LYS  30 -23.014  -2.611   3.485
  230   1HD   LYS  30          2HD       LYS  30 -21.275  -3.815   5.009
  231   2HD   LYS  30          1HD       LYS  30 -21.473  -2.398   6.043
  232   1HE   LYS  30          2HE       LYS  30 -23.585  -4.358   5.166
  233   2HE   LYS  30          1HE       LYS  30 -23.001  -4.062   6.804
  234   1HZ   LYS  30          1HZ       LYS  30 -23.846  -1.636   6.159
  235   2HZ   LYS  30          3HZ       LYS  30 -24.904  -2.550   5.206
  236   3HZ   LYS  30          2HZ       LYS  30 -24.847  -2.794   6.878
  237    H    HIS  31           H        HIS  31 -18.051   0.465   3.033
  238    HA   HIS  31           HA       HIS  31 -15.999   0.287   2.068
  239   1HB   HIS  31          2HB       HIS  31 -15.626  -2.429   3.270
  240   2HB   HIS  31          1HB       HIS  31 -14.481  -1.099   3.138
  241    HD1  HIS  31           HD1      HIS  31 -15.574  -2.826   5.742
  242    HD2  HIS  31           HD2      HIS  31 -16.225   1.163   4.781
  243    HE1  HIS  31           HE1      HIS  31 -16.112  -1.690   7.920
  244    HE2  HIS  31           HE2      HIS  31 -16.578   0.707   7.303
  245    H    ALA  32           H        ALA  32 -18.047  -0.439   0.394
  246    HA   ALA  32           HA       ALA  32 -17.376  -2.961  -0.880
  247   1HB   ALA  32          1HB       ALA  32 -19.739  -1.976  -0.594
  248   2HB   ALA  32          3HB       ALA  32 -19.323  -0.963  -1.977
  249   3HB   ALA  32          2HB       ALA  32 -19.322  -2.719  -2.138
  250    H    ARG  33           H        ARG  33 -17.944  -2.226  -3.547
  251    HA   ARG  33           HA       ARG  33 -15.802  -0.378  -4.289
  252   1HB   ARG  33          2HB       ARG  33 -14.970  -2.767  -4.255
  253   2HB   ARG  33          1HB       ARG  33 -16.119  -3.109  -5.541
  254   1HG   ARG  33          2HG       ARG  33 -14.995  -1.740  -7.063
  255   2HG   ARG  33          1HG       ARG  33 -14.076  -0.937  -5.792
  256   1HD   ARG  33          2HD       ARG  33 -13.759  -3.759  -6.795
  257   2HD   ARG  33          1HD       ARG  33 -12.595  -2.439  -6.904
  258    HE   ARG  33           HE       ARG  33 -12.999  -4.189  -4.689
  259   1HH1  ARG  33          1HH2      ARG  33 -12.075  -0.948  -5.569
  260   2HH1  ARG  33          2HH2      ARG  33 -11.125  -0.692  -4.143
  261   1HH2  ARG  33          2HH1      ARG  33 -11.757  -3.861  -2.804
  262   2HH2  ARG  33          1HH1      ARG  33 -10.948  -2.348  -2.568
  263    H    SER  34           H        SER  34 -18.763  -2.031  -4.991
  264    HA   SER  34           HA       SER  34 -19.820   0.008  -6.582
  265   1HB   SER  34          2HB       SER  34 -19.519  -0.624  -8.769
  266   2HB   SER  34          1HB       SER  34 -18.014  -1.261  -8.106
  267    HG   SER  34           HG       SER  34 -20.401  -2.776  -8.331
  268    H    GLY  35           H        GLY  35 -21.927  -0.171  -6.149
  269   1HA   GLY  35          2HA       GLY  35 -23.050  -2.896  -5.836
  270   2HA   GLY  35          1HA       GLY  35 -23.552  -1.523  -4.864
  271    H    GLU  36           H        GLU  36 -25.556  -2.727  -5.849
  272    HA   GLU  36           HA       GLU  36 -26.884  -0.910  -7.501
  273   1HB   GLU  36          2HB       GLU  36 -25.339  -2.944  -8.902
  274   2HB   GLU  36          1HB       GLU  36 -27.045  -3.049  -9.307
  275   1HG   GLU  36          2HG       GLU  36 -25.761  -0.370  -9.380
  276   2HG   GLU  36          1HG       GLU  36 -25.382  -1.518 -10.663
  277    H    CYS  37           H        CYS  37 -29.095  -1.363  -7.605
  278    HA   CYS  37           HA       CYS  37 -29.952  -3.458  -5.795
  279   1HB   CYS  37          2HB       CYS  37 -31.795  -1.545  -7.192
  280   2HB   CYS  37          1HB       CYS  37 -31.997  -2.325  -5.625
  281    H    PHE  38           H        PHE  38 -30.917  -5.308  -6.333
  282    HA   PHE  38           HA       PHE  38 -32.087  -5.614  -8.991
  283   1HB   PHE  38          2HB       PHE  38 -29.803  -7.309  -7.969
  284   2HB   PHE  38          1HB       PHE  38 -30.837  -7.785  -9.308
  285    HD1  PHE  38           HD1      PHE  38 -31.105  -5.764 -11.106
  286    HD2  PHE  38           HD2      PHE  38 -27.770  -6.448  -8.554
  287    HE1  PHE  38           HE1      PHE  38 -29.657  -4.543 -12.676
  288    HE2  PHE  38           HE2      PHE  38 -26.318  -5.226 -10.116
  289    HZ   PHE  38           HZ       PHE  38 -27.261  -4.271 -12.182
  290    H    TYR  39           H        TYR  39 -33.037  -7.886  -9.217
  291    HA   TYR  39           HA       TYR  39 -34.627  -8.396  -6.847
  292   1HB   TYR  39          2HB       TYR  39 -34.761  -9.576  -9.626
  293   2HB   TYR  39          1HB       TYR  39 -35.906  -9.914  -8.332
  294    HD1  TYR  39           HD1      TYR  39 -34.654  -7.310 -10.620
  295    HD2  TYR  39           HD2      TYR  39 -37.639  -8.363  -7.779
  296    HE1  TYR  39           HE1      TYR  39 -35.975  -5.346 -11.290
  297    HE2  TYR  39           HE2      TYR  39 -38.970  -6.404  -8.441
  298    HH   TYR  39           HH       TYR  39 -39.060  -4.942 -10.783
  299    H    ASP  40           H        ASP  40 -34.462 -10.146  -5.537
  300    HA   ASP  40           HA       ASP  40 -32.758 -12.377  -6.337
  301   1HB   ASP  40          2HB       ASP  40 -31.746 -12.254  -3.968
  302   2HB   ASP  40          1HB       ASP  40 -31.120 -11.174  -5.211
  303    H    GLU  41           H        GLU  41 -33.874 -11.563  -3.182
  304    HA   GLU  41           HA       GLU  41 -34.820 -14.114  -2.690
  305   1HB   GLU  41          2HB       GLU  41 -34.614 -11.661  -1.244
  306   2HB   GLU  41          1HB       GLU  41 -36.228 -12.299  -0.975
  307   1HG   GLU  41          2HG       GLU  41 -34.882 -13.144   0.753
  308   2HG   GLU  41          1HG       GLU  41 -35.145 -14.483  -0.362
  309    H    LYS  42           H        LYS  42 -35.985 -14.354  -4.757
  310    HA   LYS  42           HA       LYS  42 -37.877 -14.584  -5.980
  311   1HB   LYS  42          2HB       LYS  42 -38.586 -14.983  -3.181
  312   2HB   LYS  42          1HB       LYS  42 -39.969 -14.476  -4.141
  313   1HG   LYS  42          2HG       LYS  42 -39.876 -16.870  -4.084
  314   2HG   LYS  42          1HG       LYS  42 -39.505 -16.317  -5.718
  315   1HD   LYS  42          2HD       LYS  42 -37.041 -16.471  -4.982
  316   2HD   LYS  42          1HD       LYS  42 -37.652 -17.447  -3.645
  317   1HE   LYS  42          2HE       LYS  42 -38.776 -18.904  -5.348
  318   2HE   LYS  42          1HE       LYS  42 -37.915 -18.004  -6.595
  319   1HZ   LYS  42          3HZ       LYS  42 -36.243 -19.023  -4.468
  320   2HZ   LYS  42          2HZ       LYS  42 -36.986 -20.220  -5.404
  321   3HZ   LYS  42          1HZ       LYS  42 -36.006 -19.057  -6.144
  322    H    ARG  43           H        ARG  43 -37.667 -12.597  -7.067
  323    HA   ARG  43           HA       ARG  43 -38.373 -10.588  -7.852
  324   1HB   ARG  43          2HB       ARG  43 -40.914 -10.859  -6.295
  325   2HB   ARG  43          1HB       ARG  43 -40.665 -10.225  -7.916
  326   1HG   ARG  43          2HG       ARG  43 -40.476 -13.127  -7.126
  327   2HG   ARG  43          1HG       ARG  43 -41.845 -12.364  -7.932
  328   1HD   ARG  43          2HD       ARG  43 -40.687 -13.331  -9.690
  329   2HD   ARG  43          1HD       ARG  43 -40.113 -11.666  -9.714
  330    HE   ARG  43           HE       ARG  43 -38.161 -12.590  -8.377
  331   1HH1  ARG  43          1HH2      ARG  43 -39.927 -14.495 -10.710
  332   2HH1  ARG  43          2HH2      ARG  43 -38.581 -15.519 -11.078
  333   1HH2  ARG  43          2HH1      ARG  43 -36.390 -13.934  -8.863
  334   2HH2  ARG  43          1HH1      ARG  43 -36.571 -15.198 -10.032
  335    H    ASN  44           H        ASN  44 -37.194 -10.834  -5.028
  336    HA   ASN  44           HA       ASN  44 -38.240  -8.386  -3.812
  337   1HB   ASN  44          2HB       ASN  44 -36.417 -10.582  -2.879
  338   2HB   ASN  44          1HB       ASN  44 -36.416  -9.026  -2.053
  339   1HD2  ASN  44          2HD2      ASN  44 -39.947 -11.104  -2.035
  340   2HD2  ASN  44          1HD2      ASN  44 -38.988 -11.022  -3.469
  341    H    LEU  45           H        LEU  45 -37.393  -6.504  -4.438
  342    HA   LEU  45           HA       LEU  45 -34.846  -6.406  -5.788
  343   1HB   LEU  45          2HB       LEU  45 -36.762  -5.075  -6.553
  344   2HB   LEU  45          1HB       LEU  45 -36.745  -4.187  -5.040
  345    HG   LEU  45           HG       LEU  45 -34.640  -3.165  -5.575
  346   1HD1  LEU  45          1HD1      LEU  45 -34.582  -5.205  -7.754
  347   2HD1  LEU  45          3HD1      LEU  45 -33.721  -3.679  -7.953
  348   3HD1  LEU  45          2HD1      LEU  45 -33.321  -4.748  -6.608
  349   1HD2  LEU  45          1HD2      LEU  45 -36.679  -2.187  -6.568
  350   2HD2  LEU  45          3HD2      LEU  45 -35.234  -1.884  -7.531
  351   3HD2  LEU  45          2HD2      LEU  45 -36.384  -3.123  -8.033
  352    H    GLN  46           H        GLN  46 -33.266  -6.865  -4.303
  353    HA   GLN  46           HA       GLN  46 -33.044  -5.129  -1.944
  354   1HB   GLN  46          2HB       GLN  46 -31.886  -7.799  -2.664
  355   2HB   GLN  46          1HB       GLN  46 -31.118  -6.808  -1.432
  356   1HG   GLN  46          2HG       GLN  46 -33.984  -7.727  -1.386
  357   2HG   GLN  46          1HG       GLN  46 -32.658  -8.466  -0.490
  358   1HE2  GLN  46          2HE2      GLN  46 -32.779  -6.218   2.138
  359   2HE2  GLN  46          1HE2      GLN  46 -32.087  -7.635   1.432
  360    H    CYS  47           H        CYS  47 -30.530  -4.900  -1.364
  361    HA   CYS  47           HA       CYS  47 -29.339  -3.487  -3.647
  362   1HB   CYS  47          2HB       CYS  47 -29.589  -2.909  -0.799
  363   2HB   CYS  47          1HB       CYS  47 -27.942  -2.694  -1.382
  364    H    ILE  48           H        ILE  48 -27.984  -4.818  -4.689
  365    HA   ILE  48           HA       ILE  48 -26.271  -6.655  -3.221
  366    HB   ILE  48           HB       ILE  48 -26.487  -6.185  -6.202
  367   1HG1  ILE  48          2HG1      ILE  48 -27.799  -8.279  -6.218
  368   2HG1  ILE  48          1HG1      ILE  48 -27.709  -8.346  -4.463
  369   1HG2  ILE  48          1HG2      ILE  48 -24.417  -7.419  -4.898
  370   2HG2  ILE  48          3HG2      ILE  48 -25.489  -8.777  -5.226
  371   3HG2  ILE  48          2HG2      ILE  48 -24.915  -7.767  -6.550
  372   1HD1  ILE  48          2HD1      ILE  48 -28.861  -5.918  -5.727
  373   2HD1  ILE  48          1HD1      ILE  48 -29.817  -7.398  -5.695
  374   3HD1  ILE  48          3HD1      ILE  48 -29.246  -6.688  -4.187
  375    H    CYS  49           H        CYS  49 -24.483  -5.809  -2.332
  376    HA   CYS  49           HA       CYS  49 -23.104  -3.604  -3.687
  377   1HB   CYS  49          2HB       CYS  49 -22.531  -4.748  -0.952
  378   2HB   CYS  49          1HB       CYS  49 -21.978  -3.207  -1.605
  379    H    ASP  50           H        ASP  50 -21.433  -4.018  -4.968
  380    HA   ASP  50           HA       ASP  50 -20.048  -6.586  -4.740
  381   1HB   ASP  50          2HB       ASP  50 -20.935  -5.319  -6.952
  382   2HB   ASP  50          1HB       ASP  50 -19.294  -4.684  -6.895
  383    H    TYR  51           H        TYR  51 -17.986  -6.829  -4.212
  384    HA   TYR  51           HA       TYR  51 -16.558  -4.459  -3.221
  385   1HB   TYR  51          2HB       TYR  51 -16.378  -7.395  -2.581
  386   2HB   TYR  51          1HB       TYR  51 -15.170  -6.239  -2.031
  387    HD1  TYR  51           HD1      TYR  51 -18.913  -6.406  -2.118
  388    HD2  TYR  51           HD2      TYR  51 -15.415  -5.627   0.175
  389    HE1  TYR  51           HE1      TYR  51 -20.315  -5.902  -0.165
  390    HE2  TYR  51           HE2      TYR  51 -16.809  -5.123   2.139
  391    HH   TYR  51           HH       TYR  51 -20.357  -5.236   1.951
  392    H    CYS  52           H        CYS  52 -16.566  -6.835  -5.662
  393    HA   CYS  52           HA       CYS  52 -13.778  -6.225  -6.395
  394   1HB   CYS  52          2HB       CYS  52 -15.425  -8.603  -7.272
  395   2HB   CYS  52          1HB       CYS  52 -13.698  -8.357  -7.509
  396    H    GLU  53           H        GLU  53 -15.324  -7.854  -8.819
  397    HA   GLU  53           HA       GLU  53 -16.918  -6.113 -10.195
  398   1HB   GLU  53          2HB       GLU  53 -15.217  -5.173 -11.869
  399   2HB   GLU  53          1HB       GLU  53 -15.338  -4.382 -10.309
  400   1HG   GLU  53          2HG       GLU  53 -13.379  -6.097  -9.733
  401   2HG   GLU  53          1HG       GLU  53 -13.126  -5.971 -11.470
  402    H    TYR  54           HN       TYR  54 -13.894  -7.837 -10.978
  403    HA   TYR  54           HA       TYR  54 -15.433  -9.770 -12.535
  404   1HB   TYR  54          2HB       TYR  54 -13.419  -7.863 -13.634
  405   2HB   TYR  54          1HB       TYR  54 -13.439  -9.501 -14.281
  406    HD1  TYR  54           HD1      TYR  54 -15.612  -6.545 -13.678
  407    HD2  TYR  54           HD2      TYR  54 -14.996 -10.113 -15.911
  408    HE1  TYR  54           HE1      TYR  54 -17.485  -5.940 -15.150
  409    HE2  TYR  54           HE2      TYR  54 -16.867  -9.517 -17.390
  410    HH   TYR  54           HH       TYR  54 -19.162  -7.660 -16.795
   
  No H/Q in entry =         410
  Start of MODEL   42
    1    HN   PCA   1           HN       PCA   1  -9.829 -15.346  -2.723
    2    HA   PCA   1           HA       PCA   1 -11.407 -13.409  -2.310
    3   1HB   PCA   1          1HB       PCA   1 -11.198 -11.730  -3.812
    4   2HB   PCA   1          2HB       PCA   1 -12.008 -12.743  -5.030
    5   1HG   PCA   1          1HG       PCA   1  -9.228 -12.045  -4.899
    6   2HG   PCA   1          2HG       PCA   1 -10.002 -13.166  -6.035
    7    H    ASP   2           H        ASP   2 -13.065 -14.654  -1.699
    8    HA   ASP   2           HA       ASP   2 -14.188 -16.645  -3.474
    9   1HB   ASP   2          2HB       ASP   2 -14.669 -15.870  -0.609
   10   2HB   ASP   2          1HB       ASP   2 -15.785 -16.941  -1.450
   11    H    LYS   3           H        LYS   3 -16.408 -15.070  -1.385
   12    HA   LYS   3           HA       LYS   3 -18.396 -14.682  -3.225
   13   1HB   LYS   3          2HB       LYS   3 -17.763 -13.200  -0.683
   14   2HB   LYS   3          1HB       LYS   3 -19.197 -12.833  -1.632
   15   1HG   LYS   3          2HG       LYS   3 -20.130 -14.950  -1.246
   16   2HG   LYS   3          1HG       LYS   3 -18.596 -15.613  -0.678
   17   1HD   LYS   3          2HD       LYS   3 -18.710 -14.045   1.256
   18   2HD   LYS   3          1HD       LYS   3 -20.322 -13.570   0.714
   19   1HE   LYS   3          2HE       LYS   3 -19.393 -16.202   1.804
   20   2HE   LYS   3          1HE       LYS   3 -20.737 -15.193   2.335
   21   1HZ   LYS   3          3HZ       LYS   3 -21.875 -15.723   0.244
   22   2HZ   LYS   3          2HZ       LYS   3 -20.605 -16.753  -0.187
   23   3HZ   LYS   3          1HZ       LYS   3 -21.559 -17.109   1.163
   24    H    CYS   4           H        CYS   4 -19.303 -12.692  -4.129
   25    HA   CYS   4           HA       CYS   4 -17.315 -10.621  -4.748
   26   1HB   CYS   4          2HB       CYS   4 -18.238 -12.581  -6.586
   27   2HB   CYS   4          1HB       CYS   4 -18.965 -11.051  -7.063
   28    H    LYS   5           H        LYS   5 -20.371 -11.442  -3.702
   29    HA   LYS   5           HA       LYS   5 -21.220  -8.662  -3.819
   30   1HB   LYS   5          2HB       LYS   5 -23.565  -9.498  -4.481
   31   2HB   LYS   5          1HB       LYS   5 -22.354  -9.331  -5.743
   32   1HG   LYS   5          2HG       LYS   5 -23.427 -11.366  -6.168
   33   2HG   LYS   5          1HG       LYS   5 -21.881 -11.795  -5.441
   34   1HD   LYS   5          2HD       LYS   5 -23.919 -11.463  -3.400
   35   2HD   LYS   5          1HD       LYS   5 -24.444 -12.623  -4.617
   36   1HE   LYS   5          2HE       LYS   5 -21.698 -12.814  -3.436
   37   2HE   LYS   5          1HE       LYS   5 -23.092 -13.433  -2.555
   38   1HZ   LYS   5          1HZ       LYS   5 -23.611 -14.689  -4.689
   39   2HZ   LYS   5          3HZ       LYS   5 -22.026 -14.330  -5.161
   40   3HZ   LYS   5          2HZ       LYS   5 -22.306 -15.242  -3.766
   41    H    LYS   6           H        LYS   6 -22.603  -8.052  -2.164
   42    HA   LYS   6           HA       LYS   6 -23.570 -10.105  -0.338
   43   1HB   LYS   6          2HB       LYS   6 -21.675  -9.856   0.889
   44   2HB   LYS   6          1HB       LYS   6 -21.315  -8.280   0.207
   45   1HG   LYS   6          2HG       LYS   6 -22.808  -7.200   1.716
   46   2HG   LYS   6          1HG       LYS   6 -23.441  -8.749   2.281
   47   1HD   LYS   6          2HD       LYS   6 -21.089  -9.286   3.043
   48   2HD   LYS   6          1HD       LYS   6 -20.693  -7.598   2.720
   49   1HE   LYS   6          2HE       LYS   6 -21.287  -8.136   5.104
   50   2HE   LYS   6          1HE       LYS   6 -22.215  -6.832   4.364
   51   1HZ   LYS   6          3HZ       LYS   6 -23.162  -9.638   4.536
   52   2HZ   LYS   6          2HZ       LYS   6 -23.561  -8.440   5.661
   53   3HZ   LYS   6          1HZ       LYS   6 -24.055  -8.285   4.051
   54    H    VAL   7           H        VAL   7 -25.610  -9.665   0.003
   55    HA   VAL   7           HA       VAL   7 -26.849  -7.229  -0.622
   56    HB   VAL   7           HB       VAL   7 -28.818  -8.268  -0.232
   57   1HG1  VAL   7          3HG1      VAL   7 -27.153  -9.864  -1.365
   58   2HG1  VAL   7          2HG1      VAL   7 -27.236 -10.770   0.148
   59   3HG1  VAL   7          1HG1      VAL   7 -28.698 -10.505  -0.802
   60   1HG2  VAL   7          2HG2      VAL   7 -27.572  -9.302   2.296
   61   2HG2  VAL   7          1HG2      VAL   7 -28.963  -8.234   2.098
   62   3HG2  VAL   7          3HG2      VAL   7 -29.100  -9.946   1.698
   63    H    TYR   8           H        TYR   8 -27.620  -5.552   0.585
   64    HA   TYR   8           HA       TYR   8 -26.145  -4.885   2.900
   65   1HB   TYR   8          2HB       TYR   8 -27.573  -3.420   1.185
   66   2HB   TYR   8          1HB       TYR   8 -28.793  -3.597   2.443
   67    HD1  TYR   8           HD2      TYR   8 -26.853  -3.649   4.799
   68    HD2  TYR   8           HD1      TYR   8 -27.166  -1.083   1.421
   69    HE1  TYR   8           HE2      TYR   8 -25.794  -1.841   6.085
   70    HE2  TYR   8           HE1      TYR   8 -26.104   0.734   2.695
   71    HH   TYR   8           HH       TYR   8 -25.379   0.392   6.122
   72    H    GLU   9           H        GLU   9 -26.306  -5.947   4.758
   73    HA   GLU   9           HA       GLU   9 -28.434  -7.602   5.474
   74   1HB   GLU   9          2HB       GLU   9 -26.477  -6.300   7.374
   75   2HB   GLU   9          1HB       GLU   9 -27.377  -7.787   7.636
   76   1HG   GLU   9          2HG       GLU   9 -26.161  -8.760   5.675
   77   2HG   GLU   9          1HG       GLU   9 -25.148  -7.316   5.677
   78    H    ASN  10           H        ASN  10 -28.698  -4.430   5.112
   79    HA   ASN  10           HA       ASN  10 -31.138  -4.114   6.330
   80   1HB   ASN  10          2HB       ASN  10 -30.383  -2.521   8.236
   81   2HB   ASN  10          1HB       ASN  10 -30.342  -4.258   8.520
   82   1HD2  ASN  10          2HD2      ASN  10 -27.166  -2.466   9.542
   83   2HD2  ASN  10          1HD2      ASN  10 -28.833  -2.064   9.752
   84    H    TYR  11           H        TYR  11 -32.009  -2.527   5.230
   85    HA   TYR  11           HA       TYR  11 -31.030   0.079   5.031
   86   1HB   TYR  11          2HB       TYR  11 -29.410  -1.217   3.481
   87   2HB   TYR  11          1HB       TYR  11 -30.779  -1.325   2.382
   88    HD1  TYR  11           HD2      TYR  11 -28.648   1.100   4.217
   89    HD2  TYR  11           HD1      TYR  11 -31.309   0.465   0.959
   90    HE1  TYR  11           HE2      TYR  11 -28.124   3.342   3.359
   91    HE2  TYR  11           HE1      TYR  11 -30.791   2.707   0.092
   92    HH   TYR  11           HH       TYR  11 -29.244   4.429   0.244
   93    HA   PRO  12           HA       PRO  12 -35.489   0.333   4.334
   94   1HB   PRO  12          2HB       PRO  12 -34.619   2.898   3.056
   95   2HB   PRO  12          1HB       PRO  12 -35.953   2.597   4.176
   96   1HG   PRO  12          2HG       PRO  12 -33.674   3.691   5.016
   97   2HG   PRO  12          1HG       PRO  12 -34.567   2.535   6.022
   98   1HD   PRO  12          2HD       PRO  12 -32.027   2.180   4.529
   99   2HD   PRO  12          1HD       PRO  12 -32.607   1.361   5.993
  100    H    VAL  13           H        VAL  13 -35.054  -1.440   2.686
  101    HA   VAL  13           HA       VAL  13 -34.500  -0.909   0.000
  102    HB   VAL  13           HB       VAL  13 -34.410  -3.153   0.609
  103   1HG1  VAL  13          2HG1      VAL  13 -37.168  -2.786   1.743
  104   2HG1  VAL  13          1HG1      VAL  13 -36.443  -4.374   1.490
  105   3HG1  VAL  13          3HG1      VAL  13 -35.686  -3.223   2.592
  106   1HG2  VAL  13          1HG2      VAL  13 -35.527  -2.639  -1.612
  107   2HG2  VAL  13          3HG2      VAL  13 -35.750  -4.265  -0.967
  108   3HG2  VAL  13          2HG2      VAL  13 -37.045  -3.077  -0.827
  109    H    SER  14           H        SER  14 -35.542   0.785  -0.877
  110    HA   SER  14           HA       SER  14 -38.085   0.420  -1.984
  111   1HB   SER  14          2HB       SER  14 -38.892   2.614  -0.487
  112   2HB   SER  14          1HB       SER  14 -39.413   0.951  -0.228
  113    HG   SER  14           HG       SER  14 -37.161   2.176   0.993
  114    H    LYS  15           H        LYS  15 -36.197   3.123  -0.613
  115    HA   LYS  15           HA       LYS  15 -36.697   4.860  -2.791
  116   1HB   LYS  15          2HB       LYS  15 -35.752   5.234  -0.299
  117   2HB   LYS  15          1HB       LYS  15 -34.229   5.258  -1.178
  118   1HG   LYS  15          2HG       LYS  15 -34.907   7.118  -2.478
  119   2HG   LYS  15          1HG       LYS  15 -36.579   6.975  -1.938
  120   1HD   LYS  15          2HD       LYS  15 -35.707   7.411   0.407
  121   2HD   LYS  15          1HD       LYS  15 -34.184   7.872  -0.355
  122   1HE   LYS  15          2HE       LYS  15 -35.789   9.760   0.167
  123   2HE   LYS  15          1HE       LYS  15 -35.183   9.686  -1.488
  124   1HZ   LYS  15          2HZ       LYS  15 -37.804   8.601  -0.613
  125   2HZ   LYS  15          1HZ       LYS  15 -37.592  10.110  -1.346
  126   3HZ   LYS  15          3HZ       LYS  15 -37.228   8.695  -2.201
  127    H    CYS  16           H        CYS  16 -35.272   2.074  -3.034
  128    HA   CYS  16           HA       CYS  16 -32.753   2.586  -4.219
  129   1HB   CYS  16          2HB       CYS  16 -34.320   0.318  -3.555
  130   2HB   CYS  16          1HB       CYS  16 -33.918   0.169  -5.262
  131    H    GLN  17           H        GLN  17 -35.241   4.042  -5.257
  132    HA   GLN  17           HA       GLN  17 -35.299   3.190  -8.033
  133   1HB   GLN  17          2HB       GLN  17 -37.026   4.709  -6.272
  134   2HB   GLN  17          1HB       GLN  17 -36.770   5.586  -7.768
  135   1HG   GLN  17          2HG       GLN  17 -37.483   2.702  -7.900
  136   2HG   GLN  17          1HG       GLN  17 -38.733   3.886  -7.527
  137   1HE2  GLN  17          2HE2      GLN  17 -39.265   4.465 -10.878
  138   2HE2  GLN  17          1HE2      GLN  17 -39.887   4.187  -9.291
  139    H    LEU  18           H        LEU  18 -32.826   3.786  -7.708
  140    HA   LEU  18           HA       LEU  18 -32.377   6.067  -9.385
  141   1HB   LEU  18          2HB       LEU  18 -31.340   6.090  -6.545
  142   2HB   LEU  18          1HB       LEU  18 -30.704   7.107  -7.820
  143    HG   LEU  18           HG       LEU  18 -33.258   7.829  -8.013
  144   1HD1  LEU  18          1HD1      LEU  18 -33.469   6.178  -5.831
  145   2HD1  LEU  18          3HD1      LEU  18 -33.286   7.765  -5.086
  146   3HD1  LEU  18          2HD1      LEU  18 -34.584   7.477  -6.242
  147   1HD2  LEU  18          2HD2      LEU  18 -31.122   8.836  -6.174
  148   2HD2  LEU  18          1HD2      LEU  18 -31.648   9.481  -7.728
  149   3HD2  LEU  18          3HD2      LEU  18 -32.679   9.654  -6.310
  150    H    ALA  19           H        ALA  19 -29.630   5.794  -7.636
  151    HA   ALA  19           HA       ALA  19 -28.464   3.358  -8.220
  152   1HB   ALA  19          2HB       ALA  19 -28.384   5.297 -10.501
  153   2HB   ALA  19          1HB       ALA  19 -27.067   4.152 -10.248
  154   3HB   ALA  19          3HB       ALA  19 -28.707   3.563 -10.525
  155    H    ASN  20           H        ASN  20 -28.464   5.664  -6.415
  156    HA   ASN  20           HA       ASN  20 -25.555   6.075  -6.280
  157   1HB   ASN  20          2HB       ASN  20 -26.576   8.150  -7.077
  158   2HB   ASN  20          1HB       ASN  20 -27.688   8.143  -5.710
  159   1HD2  ASN  20          2HD2      ASN  20 -23.800   9.272  -5.224
  160   2HD2  ASN  20          1HD2      ASN  20 -24.305   8.393  -6.624
  161    H    GLN  21           H        GLN  21 -28.588   6.398  -4.449
  162    HA   GLN  21           HA       GLN  21 -27.759   6.533  -1.909
  163   1HB   GLN  21          2HB       GLN  21 -29.919   4.720  -2.997
  164   2HB   GLN  21          1HB       GLN  21 -29.704   5.058  -1.286
  165   1HG   GLN  21          2HG       GLN  21 -30.401   7.027  -3.446
  166   2HG   GLN  21          1HG       GLN  21 -31.447   6.447  -2.152
  167   1HE2  GLN  21          2HE2      GLN  21 -28.609   9.289  -1.413
  168   2HE2  GLN  21          1HE2      GLN  21 -28.528   8.301  -2.826
  169    H    CYS  22           H        CYS  22 -28.701   3.246  -2.771
  170    HA   CYS  22           HA       CYS  22 -26.920   2.077  -0.961
  171   1HB   CYS  22          2HB       CYS  22 -28.656   1.082  -3.154
  172   2HB   CYS  22          1HB       CYS  22 -27.385  -0.001  -2.587
  173    H    ASN  23           H        ASN  23 -26.564   2.778  -4.401
  174    HA   ASN  23           HA       ASN  23 -24.252   1.319  -4.942
  175   1HB   ASN  23          2HB       ASN  23 -25.795   2.805  -6.486
  176   2HB   ASN  23          1HB       ASN  23 -24.584   4.035  -6.136
  177   1HD2  ASN  23          2HD2      ASN  23 -23.626   2.261  -9.222
  178   2HD2  ASN  23          1HD2      ASN  23 -24.990   3.173  -8.684
  179    H    TYR  24           H        TYR  24 -24.160   4.859  -4.585
  180    HA   TYR  24           HA       TYR  24 -21.471   5.065  -4.068
  181   1HB   TYR  24          2HB       TYR  24 -22.306   7.169  -4.339
  182   2HB   TYR  24          1HB       TYR  24 -23.822   6.785  -3.534
  183    HD1  TYR  24           HD2      TYR  24 -20.310   6.609  -2.289
  184    HD2  TYR  24           HD1      TYR  24 -24.143   8.421  -1.924
  185    HE1  TYR  24           HE2      TYR  24 -19.553   7.790  -0.270
  186    HE2  TYR  24           HE1      TYR  24 -23.393   9.610   0.093
  187    HH   TYR  24           HH       TYR  24 -20.232   9.966   0.953
  188    H    ASP  25           H        ASP  25 -24.096   4.528  -1.737
  189    HA   ASP  25           HA       ASP  25 -22.651   4.695   0.614
  190   1HB   ASP  25          2HB       ASP  25 -24.968   2.919  -0.146
  191   2HB   ASP  25          1HB       ASP  25 -24.299   2.943   1.482
  192    H    CYS  26           H        CYS  26 -23.269   1.723  -1.279
  193    HA   CYS  26           HA       CYS  26 -21.625   0.020   0.176
  194   1HB   CYS  26          2HB       CYS  26 -22.236   0.061  -2.790
  195   2HB   CYS  26          1HB       CYS  26 -21.363  -1.243  -2.009
  196    H    LYS  27           H        LYS  27 -20.897   2.139  -2.537
  197    HA   LYS  27           HA       LYS  27 -18.215   1.446  -2.884
  198   1HB   LYS  27          2HB       LYS  27 -20.088   3.252  -4.005
  199   2HB   LYS  27          1HB       LYS  27 -18.655   4.189  -3.619
  200   1HG   LYS  27          2HG       LYS  27 -17.333   3.026  -5.108
  201   2HG   LYS  27          1HG       LYS  27 -18.378   1.605  -5.096
  202   1HD   LYS  27          2HD       LYS  27 -20.075   2.800  -6.349
  203   2HD   LYS  27          1HD       LYS  27 -19.098   4.272  -6.308
  204   1HE   LYS  27          2HE       LYS  27 -17.596   3.482  -7.850
  205   2HE   LYS  27          1HE       LYS  27 -17.875   1.796  -7.419
  206   1HZ   LYS  27          1HZ       LYS  27 -20.101   3.242  -8.630
  207   2HZ   LYS  27          3HZ       LYS  27 -18.798   2.856  -9.640
  208   3HZ   LYS  27          2HZ       LYS  27 -19.626   1.630  -8.820
  209    H    LEU  28           H        LEU  28 -19.290   2.578  -0.042
  210    HA   LEU  28           HA       LEU  28 -16.693   3.467   0.719
  211   1HB   LEU  28          2HB       LEU  28 -18.027   5.451  -0.476
  212   2HB   LEU  28          1HB       LEU  28 -18.634   5.666   1.154
  213    HG   LEU  28           HG       LEU  28 -15.948   5.453   1.623
  214   1HD1  LEU  28          1HD1      LEU  28 -15.765   5.494  -0.970
  215   2HD1  LEU  28          3HD1      LEU  28 -16.034   7.225  -0.774
  216   3HD1  LEU  28          2HD1      LEU  28 -14.654   6.452   0.008
  217   1HD2  LEU  28          3HD2      LEU  28 -17.486   7.974   1.006
  218   2HD2  LEU  28          2HD2      LEU  28 -17.415   7.150   2.564
  219   3HD2  LEU  28          1HD2      LEU  28 -15.962   7.890   1.889
  220    H    ASP  29           H        ASP  29 -20.125   3.333   1.596
  221    HA   ASP  29           HA       ASP  29 -19.718   3.660   4.377
  222   1HB   ASP  29          2HB       ASP  29 -21.980   2.401   2.820
  223   2HB   ASP  29          1HB       ASP  29 -22.004   2.592   4.570
  224    H    LYS  30           H        LYS  30 -18.953   1.105   2.319
  225    HA   LYS  30           HA       LYS  30 -18.368  -0.600   4.616
  226   1HB   LYS  30          2HB       LYS  30 -20.064  -1.422   2.265
  227   2HB   LYS  30          1HB       LYS  30 -19.232  -2.593   3.281
  228   1HG   LYS  30          2HG       LYS  30 -20.434  -1.603   5.244
  229   2HG   LYS  30          1HG       LYS  30 -21.385  -0.661   4.096
  230   1HD   LYS  30          2HD       LYS  30 -22.068  -2.798   3.012
  231   2HD   LYS  30          1HD       LYS  30 -21.235  -3.666   4.303
  232   1HE   LYS  30          2HE       LYS  30 -23.245  -1.597   5.042
  233   2HE   LYS  30          1HE       LYS  30 -23.820  -3.149   4.437
  234   1HZ   LYS  30          1HZ       LYS  30 -21.770  -3.270   6.490
  235   2HZ   LYS  30          3HZ       LYS  30 -23.276  -2.683   6.993
  236   3HZ   LYS  30          2HZ       LYS  30 -23.158  -4.215   6.288
  237    H    HIS  31           H        HIS  31 -17.135   0.997   2.198
  238    HA   HIS  31           HA       HIS  31 -15.295   0.838   0.866
  239   1HB   HIS  31          2HB       HIS  31 -14.356  -1.504   2.488
  240   2HB   HIS  31          1HB       HIS  31 -13.420  -0.176   1.812
  241    HD1  HIS  31           HD1      HIS  31 -14.651  -1.369   4.927
  242    HD2  HIS  31           HD2      HIS  31 -14.165   2.390   3.226
  243    HE1  HIS  31           HE1      HIS  31 -14.663   0.246   6.853
  244    HE2  HIS  31           HE2      HIS  31 -14.274   2.506   5.808
  245    H    ALA  32           H        ALA  32 -17.453  -0.388  -0.216
  246    HA   ALA  32           HA       ALA  32 -16.722  -3.056  -1.090
  247   1HB   ALA  32          1HB       ALA  32 -19.085  -2.308  -0.543
  248   2HB   ALA  32          3HB       ALA  32 -19.052  -1.435  -2.075
  249   3HB   ALA  32          2HB       ALA  32 -18.866  -3.189  -2.055
  250    H    ARG  33           H        ARG  33 -17.465  -3.267  -3.623
  251    HA   ARG  33           HA       ARG  33 -15.466  -1.669  -5.048
  252   1HB   ARG  33          2HB       ARG  33 -15.783  -4.314  -5.083
  253   2HB   ARG  33          1HB       ARG  33 -16.947  -3.914  -6.338
  254   1HG   ARG  33          2HG       ARG  33 -14.810  -2.441  -7.139
  255   2HG   ARG  33          1HG       ARG  33 -14.003  -3.813  -6.383
  256   1HD   ARG  33          2HD       ARG  33 -15.903  -5.077  -7.875
  257   2HD   ARG  33          1HD       ARG  33 -15.561  -3.672  -8.880
  258    HE   ARG  33           HE       ARG  33 -13.861  -5.923  -8.413
  259   1HH1  ARG  33          1HH2      ARG  33 -13.907  -2.523  -9.165
  260   2HH1  ARG  33          2HH2      ARG  33 -12.368  -2.545  -9.961
  261   1HH2  ARG  33          2HH1      ARG  33 -11.840  -5.968  -9.467
  262   2HH2  ARG  33          1HH1      ARG  33 -11.193  -4.507 -10.134
  263    H    SER  34           H        SER  34 -18.735  -2.946  -5.668
  264    HA   SER  34           HA       SER  34 -19.659  -0.372  -6.598
  265   1HB   SER  34          2HB       SER  34 -19.901  -0.799  -8.857
  266   2HB   SER  34          1HB       SER  34 -18.410  -1.684  -8.535
  267    HG   SER  34           HG       SER  34 -21.033  -2.766  -8.638
  268    H    GLY  35           H        GLY  35 -21.587  -0.249  -5.619
  269   1HA   GLY  35          2HA       GLY  35 -23.174  -2.722  -5.357
  270   2HA   GLY  35          1HA       GLY  35 -23.324  -1.309  -4.323
  271    H    GLU  36           H        GLU  36 -25.521  -2.515  -5.420
  272    HA   GLU  36           HA       GLU  36 -26.847  -0.360  -6.622
  273   1HB   GLU  36          2HB       GLU  36 -25.344  -1.888  -8.470
  274   2HB   GLU  36          1HB       GLU  36 -27.026  -2.317  -8.740
  275   1HG   GLU  36          2HG       GLU  36 -27.620  -0.070  -9.196
  276   2HG   GLU  36          1HG       GLU  36 -26.061   0.527  -8.626
  277    H    CYS  37           H        CYS  37 -29.057  -1.007  -7.406
  278    HA   CYS  37           HA       CYS  37 -30.136  -2.957  -5.545
  279   1HB   CYS  37          2HB       CYS  37 -31.724  -1.262  -7.454
  280   2HB   CYS  37          1HB       CYS  37 -32.229  -1.930  -5.904
  281    H    PHE  38           H        PHE  38 -30.868  -4.926  -6.079
  282    HA   PHE  38           HA       PHE  38 -31.639  -5.515  -8.823
  283   1HB   PHE  38          2HB       PHE  38 -29.427  -7.006  -7.399
  284   2HB   PHE  38          1HB       PHE  38 -30.184  -7.534  -8.898
  285    HD1  PHE  38           HD1      PHE  38 -30.232  -5.611 -10.764
  286    HD2  PHE  38           HD2      PHE  38 -27.427  -5.908  -7.578
  287    HE1  PHE  38           HE1      PHE  38 -28.631  -4.263 -12.056
  288    HE2  PHE  38           HE2      PHE  38 -25.820  -4.560  -8.865
  289    HZ   PHE  38           HZ       PHE  38 -26.420  -3.736 -11.107
  290    H    TYR  39           H        TYR  39 -32.655  -7.674  -9.022
  291    HA   TYR  39           HA       TYR  39 -34.224  -8.243  -6.634
  292   1HB   TYR  39          2HB       TYR  39 -34.521  -9.315  -9.445
  293   2HB   TYR  39          1HB       TYR  39 -35.653  -9.567  -8.122
  294    HD1  TYR  39           HD1      TYR  39 -34.289  -7.079 -10.471
  295    HD2  TYR  39           HD2      TYR  39 -37.236  -7.879  -7.505
  296    HE1  TYR  39           HE1      TYR  39 -35.502  -5.046 -11.135
  297    HE2  TYR  39           HE2      TYR  39 -38.457  -5.849  -8.166
  298    HH   TYR  39           HH       TYR  39 -37.605  -4.030 -10.998
  299    H    ASP  40           H        ASP  40 -33.546  -9.740  -5.261
  300    HA   ASP  40           HA       ASP  40 -31.480 -11.548  -5.749
  301   1HB   ASP  40          2HB       ASP  40 -32.428 -12.765  -3.702
  302   2HB   ASP  40          1HB       ASP  40 -31.957 -11.083  -3.476
  303    H    GLU  41           H        GLU  41 -32.084 -12.304  -7.807
  304    HA   GLU  41           HA       GLU  41 -33.247 -13.614  -9.287
  305   1HB   GLU  41          2HB       GLU  41 -32.057 -15.413  -7.198
  306   2HB   GLU  41          1HB       GLU  41 -32.785 -16.055  -8.663
  307   1HG   GLU  41          2HG       GLU  41 -31.186 -14.962 -10.035
  308   2HG   GLU  41          1HG       GLU  41 -30.564 -14.031  -8.674
  309    H    LYS  42           H        LYS  42 -35.181 -12.523  -7.615
  310    HA   LYS  42           HA       LYS  42 -37.167 -14.661  -7.678
  311   1HB   LYS  42          2HB       LYS  42 -36.189 -13.396  -5.228
  312   2HB   LYS  42          1HB       LYS  42 -37.924 -13.227  -5.407
  313   1HG   LYS  42          2HG       LYS  42 -37.690 -15.182  -4.201
  314   2HG   LYS  42          1HG       LYS  42 -37.938 -15.748  -5.852
  315   1HD   LYS  42          2HD       LYS  42 -35.171 -15.452  -5.642
  316   2HD   LYS  42          1HD       LYS  42 -35.649 -16.116  -4.083
  317   1HE   LYS  42          2HE       LYS  42 -36.790 -17.953  -5.196
  318   2HE   LYS  42          1HE       LYS  42 -36.380 -17.273  -6.770
  319   1HZ   LYS  42          1HZ       LYS  42 -33.979 -17.474  -5.958
  320   2HZ   LYS  42          3HZ       LYS  42 -34.591 -18.522  -4.780
  321   3HZ   LYS  42          2HZ       LYS  42 -34.775 -18.893  -6.419
  322    H    ARG  43           H        ARG  43 -37.346 -11.437  -6.268
  323    HA   ARG  43           HA       ARG  43 -38.137  -9.814  -8.262
  324   1HB   ARG  43          2HB       ARG  43 -40.189 -11.867  -7.863
  325   2HB   ARG  43          1HB       ARG  43 -40.837 -10.246  -7.725
  326   1HG   ARG  43          2HG       ARG  43 -40.248  -9.684  -9.908
  327   2HG   ARG  43          1HG       ARG  43 -39.138 -11.046 -10.060
  328   1HD   ARG  43          2HD       ARG  43 -41.151 -11.517 -11.302
  329   2HD   ARG  43          1HD       ARG  43 -41.069 -12.584  -9.900
  330    HE   ARG  43           HE       ARG  43 -42.545 -10.463  -9.038
  331   1HH1  ARG  43          1HH2      ARG  43 -42.780 -12.683 -11.712
  332   2HH1  ARG  43          2HH2      ARG  43 -44.509 -12.607 -11.790
  333   1HH2  ARG  43          2HH1      ARG  43 -44.819 -10.355  -9.134
  334   2HH2  ARG  43          1HH1      ARG  43 -45.668 -11.283 -10.324
  335    H    ASN  44           H        ASN  44 -37.346 -10.057  -5.345
  336    HA   ASN  44           HA       ASN  44 -39.355  -8.354  -4.087
  337   1HB   ASN  44          2HB       ASN  44 -37.010  -9.884  -2.991
  338   2HB   ASN  44          1HB       ASN  44 -37.935  -8.745  -2.019
  339   1HD2  ASN  44          2HD2      ASN  44 -39.239 -12.209  -1.587
  340   2HD2  ASN  44          1HD2      ASN  44 -37.677 -11.481  -1.456
  341    H    LEU  45           H        LEU  45 -36.403  -8.010  -5.656
  342    HA   LEU  45           HA       LEU  45 -34.966  -6.247  -5.936
  343   1HB   LEU  45          2HB       LEU  45 -37.197  -5.139  -6.369
  344   2HB   LEU  45          1HB       LEU  45 -37.139  -4.565  -4.713
  345    HG   LEU  45           HG       LEU  45 -34.772  -3.636  -5.504
  346   1HD1  LEU  45          1HD1      LEU  45 -35.118  -4.674  -7.779
  347   2HD1  LEU  45          3HD1      LEU  45 -36.362  -3.452  -8.049
  348   3HD1  LEU  45          2HD1      LEU  45 -34.692  -2.962  -7.763
  349   1HD2  LEU  45          3HD2      LEU  45 -37.509  -2.463  -5.780
  350   2HD2  LEU  45          2HD2      LEU  45 -36.237  -2.088  -4.616
  351   3HD2  LEU  45          1HD2      LEU  45 -36.095  -1.537  -6.284
  352    H    GLN  46           H        GLN  46 -33.199  -5.886  -4.754
  353    HA   GLN  46           HA       GLN  46 -33.429  -4.769  -2.091
  354   1HB   GLN  46          2HB       GLN  46 -31.466  -6.881  -1.890
  355   2HB   GLN  46          1HB       GLN  46 -32.874  -6.585  -0.886
  356   1HG   GLN  46          2HG       GLN  46 -33.201  -7.949  -3.520
  357   2HG   GLN  46          1HG       GLN  46 -32.591  -8.841  -2.131
  358   1HE2  GLN  46          2HE2      GLN  46 -35.642  -8.769  -0.351
  359   2HE2  GLN  46          1HE2      GLN  46 -33.924  -8.812  -0.179
  360    H    CYS  47           H        CYS  47 -30.987  -4.674  -1.188
  361    HA   CYS  47           HA       CYS  47 -29.473  -3.328  -3.317
  362   1HB   CYS  47          2HB       CYS  47 -29.555  -3.014  -0.328
  363   2HB   CYS  47          1HB       CYS  47 -28.204  -2.388  -1.269
  364    H    ILE  48           H        ILE  48 -27.411  -3.898  -3.820
  365    HA   ILE  48           HA       ILE  48 -26.137  -6.034  -2.264
  366    HB   ILE  48           HB       ILE  48 -26.435  -6.119  -5.261
  367   1HG1  ILE  48          2HG1      ILE  48 -27.816  -7.655  -3.058
  368   2HG1  ILE  48          1HG1      ILE  48 -28.561  -6.659  -4.304
  369   1HG2  ILE  48          3HG2      ILE  48 -24.330  -7.076  -4.426
  370   2HG2  ILE  48          2HG2      ILE  48 -25.250  -8.137  -3.359
  371   3HG2  ILE  48          1HG2      ILE  48 -25.393  -8.305  -5.108
  372   1HD1  ILE  48          1HD1      ILE  48 -27.447  -8.382  -5.919
  373   2HD1  ILE  48          3HD1      ILE  48 -27.448  -9.409  -4.486
  374   3HD1  ILE  48          2HD1      ILE  48 -28.965  -8.759  -5.105
  375    H    CYS  49           H        CYS  49 -24.165  -5.512  -1.766
  376    HA   CYS  49           HA       CYS  49 -22.744  -3.479  -3.310
  377   1HB   CYS  49          2HB       CYS  49 -21.913  -4.832  -0.742
  378   2HB   CYS  49          1HB       CYS  49 -21.176  -3.411  -1.456
  379    H    ASP  50           H        ASP  50 -21.250  -4.063  -4.806
  380    HA   ASP  50           HA       ASP  50 -20.511  -6.870  -4.987
  381   1HB   ASP  50          2HB       ASP  50 -21.208  -5.419  -6.979
  382   2HB   ASP  50          1HB       ASP  50 -19.603  -4.697  -6.863
  383    H    TYR  51           H        TYR  51 -18.741  -7.698  -4.259
  384    HA   TYR  51           HA       TYR  51 -16.479  -5.943  -3.554
  385   1HB   TYR  51          2HB       TYR  51 -17.515  -8.485  -2.313
  386   2HB   TYR  51          1HB       TYR  51 -15.922  -7.836  -1.940
  387    HD1  TYR  51           HD1      TYR  51 -15.738  -5.643  -0.764
  388    HD2  TYR  51           HD2      TYR  51 -19.481  -7.575  -1.359
  389    HE1  TYR  51           HE1      TYR  51 -16.741  -4.228   0.980
  390    HE2  TYR  51           HE2      TYR  51 -20.490  -6.170   0.382
  391    HH   TYR  51           HH       TYR  51 -19.265  -4.798   2.590
  392    H    CYS  52           H        CYS  52 -16.474  -6.751  -6.169
  393    HA   CYS  52           HA       CYS  52 -14.958  -9.224  -6.371
  394   1HB   CYS  52          2HB       CYS  52 -15.941  -7.259  -8.438
  395   2HB   CYS  52          1HB       CYS  52 -14.899  -8.615  -8.841
  396    H    GLU  53           H        GLU  53 -13.875  -6.915  -4.933
  397    HA   GLU  53           HA       GLU  53 -11.966  -5.459  -6.274
  398   1HB   GLU  53          2HB       GLU  53 -12.588  -5.323  -3.824
  399   2HB   GLU  53          1HB       GLU  53 -11.526  -6.699  -3.555
  400   1HG   GLU  53          2HG       GLU  53 -10.424  -4.333  -4.970
  401   2HG   GLU  53          1HG       GLU  53 -10.693  -4.221  -3.231
  402    H    TYR  54           HN       TYR  54 -10.269  -6.001  -7.473
  403    HA   TYR  54           HA       TYR  54  -9.450  -8.402  -8.286
  404   1HB   TYR  54          2HB       TYR  54  -8.199  -5.794  -8.112
  405   2HB   TYR  54          1HB       TYR  54  -6.991  -7.064  -7.950
  406    HD1  TYR  54           HD2      TYR  54  -7.769  -9.144  -9.726
  407    HD2  TYR  54           HD1      TYR  54  -8.192  -4.941 -10.248
  408    HE1  TYR  54           HE2      TYR  54  -7.758  -9.452 -12.165
  409    HE2  TYR  54           HE1      TYR  54  -8.183  -5.239 -12.690
  410    HH   TYR  54           HH       TYR  54  -8.087  -6.681 -14.370
   
  No H/Q in entry =         410
  Start of MODEL   43
    1    HN   PCA   1           HN       PCA   1 -17.982 -14.934   0.657
    2    HA   PCA   1           HA       PCA   1 -19.962 -16.502   0.574
    3   1HB   PCA   1          1HB       PCA   1 -21.390 -16.227   2.310
    4   2HB   PCA   1          2HB       PCA   1 -21.997 -14.746   1.534
    5   1HG   PCA   1          1HG       PCA   1 -20.364 -14.936   3.875
    6   2HG   PCA   1          2HG       PCA   1 -20.815 -13.459   3.004
    7    H    ASP   2           H        ASP   2 -21.125 -16.536  -1.284
    8    HA   ASP   2           HA       ASP   2 -22.121 -15.845  -3.216
    9   1HB   ASP   2          2HB       ASP   2 -23.069 -14.022  -1.603
   10   2HB   ASP   2          1HB       ASP   2 -21.906 -12.966  -2.398
   11    H    LYS   3           H        LYS   3 -19.154 -14.721  -2.064
   12    HA   LYS   3           HA       LYS   3 -17.165 -14.525  -3.195
   13   1HB   LYS   3          2HB       LYS   3 -18.505 -15.764  -5.080
   14   2HB   LYS   3          1HB       LYS   3 -18.558 -14.174  -5.824
   15   1HG   LYS   3          2HG       LYS   3 -15.866 -14.682  -5.017
   16   2HG   LYS   3          1HG       LYS   3 -16.451 -16.091  -5.895
   17   1HD   LYS   3          2HD       LYS   3 -16.834 -13.313  -6.979
   18   2HD   LYS   3          1HD       LYS   3 -15.318 -14.184  -7.210
   19   1HE   LYS   3          2HE       LYS   3 -17.513 -14.348  -8.861
   20   2HE   LYS   3          1HE       LYS   3 -16.200 -15.522  -8.788
   21   1HZ   LYS   3          2HZ       LYS   3 -18.133 -16.004  -6.761
   22   2HZ   LYS   3          1HZ       LYS   3 -18.855 -15.995  -8.289
   23   3HZ   LYS   3          3HZ       LYS   3 -17.565 -17.041  -7.967
   24    H    CYS   4           H        CYS   4 -16.978 -12.544  -2.113
   25    HA   CYS   4           HA       CYS   4 -16.749 -10.291  -1.901
   26   1HB   CYS   4          2HB       CYS   4 -16.364 -10.657  -4.870
   27   2HB   CYS   4          1HB       CYS   4 -16.151  -9.098  -4.077
   28    H    LYS   5           H        LYS   5 -19.415 -11.190  -1.970
   29    HA   LYS   5           HA       LYS   5 -20.726  -8.753  -2.902
   30   1HB   LYS   5          2HB       LYS   5 -21.010 -11.309  -4.177
   31   2HB   LYS   5          1HB       LYS   5 -22.540 -10.903  -3.427
   32   1HG   LYS   5          2HG       LYS   5 -22.879  -9.925  -5.440
   33   2HG   LYS   5          1HG       LYS   5 -22.075  -8.574  -4.648
   34   1HD   LYS   5          2HD       LYS   5 -20.943  -8.731  -6.666
   35   2HD   LYS   5          1HD       LYS   5 -19.901  -9.643  -5.572
   36   1HE   LYS   5          2HE       LYS   5 -20.766 -11.726  -6.382
   37   2HE   LYS   5          1HE       LYS   5 -22.016 -10.904  -7.314
   38   1HZ   LYS   5          1HZ       LYS   5 -19.136 -10.462  -7.829
   39   2HZ   LYS   5          3HZ       LYS   5 -19.992 -11.723  -8.563
   40   3HZ   LYS   5          2HZ       LYS   5 -20.449 -10.118  -8.838
   41    H    LYS   6           H        LYS   6 -22.269  -8.025  -1.511
   42    HA   LYS   6           HA       LYS   6 -23.461  -9.841   0.419
   43   1HB   LYS   6          2HB       LYS   6 -21.683  -7.536   1.211
   44   2HB   LYS   6          1HB       LYS   6 -22.851  -8.259   2.309
   45   1HG   LYS   6          2HG       LYS   6 -21.721 -10.374   2.210
   46   2HG   LYS   6          1HG       LYS   6 -20.625  -9.773   0.964
   47   1HD   LYS   6          2HD       LYS   6 -19.680  -8.176   2.519
   48   2HD   LYS   6          1HD       LYS   6 -20.826  -8.674   3.766
   49   1HE   LYS   6          2HE       LYS   6 -18.836  -9.804   4.293
   50   2HE   LYS   6          1HE       LYS   6 -19.847 -11.011   3.499
   51   1HZ   LYS   6          1HZ       LYS   6 -18.316  -9.672   1.558
   52   2HZ   LYS   6          3HZ       LYS   6 -17.281 -10.197   2.790
   53   3HZ   LYS   6          2HZ       LYS   6 -18.275 -11.307   1.990
   54    H    VAL   7           H        VAL   7 -25.550  -9.394   0.533
   55    HA   VAL   7           HA       VAL   7 -26.743  -7.170  -0.695
   56    HB   VAL   7           HB       VAL   7 -28.809  -7.955   0.046
   57   1HG1  VAL   7          1HG1      VAL   7 -27.518  -9.613  -1.313
   58   2HG1  VAL   7          3HG1      VAL   7 -27.151 -10.456   0.192
   59   3HG1  VAL   7          2HG1      VAL   7 -28.824 -10.290  -0.340
   60   1HG2  VAL   7          2HG2      VAL   7 -27.334  -9.003   2.440
   61   2HG2  VAL   7          1HG2      VAL   7 -28.698  -7.886   2.377
   62   3HG2  VAL   7          3HG2      VAL   7 -28.940  -9.598   2.023
   63    H    TYR   8           H        TYR   8 -28.134  -5.559   0.358
   64    HA   TYR   8           HA       TYR   8 -26.993  -4.645   2.920
   65   1HB   TYR   8          2HB       TYR   8 -26.846  -3.213   0.653
   66   2HB   TYR   8          1HB       TYR   8 -28.442  -2.701   1.193
   67    HD1  TYR   8           HD1      TYR   8 -27.765  -2.972   4.209
   68    HD2  TYR   8           HD2      TYR   8 -25.810  -1.059   0.947
   69    HE1  TYR   8           HE1      TYR   8 -26.720  -1.397   5.770
   70    HE2  TYR   8           HE2      TYR   8 -24.763   0.531   2.503
   71    HH   TYR   8           HH       TYR   8 -24.716   0.073   5.846
   72    H    GLU   9           H        GLU   9 -28.446  -5.922   4.051
   73    HA   GLU   9           HA       GLU   9 -31.184  -6.054   3.705
   74   1HB   GLU   9          2HB       GLU   9 -30.905  -6.413   6.404
   75   2HB   GLU   9          1HB       GLU   9 -30.628  -7.656   5.192
   76   1HG   GLU   9          2HG       GLU   9 -28.834  -7.306   6.962
   77   2HG   GLU   9          1HG       GLU   9 -28.317  -7.408   5.281
   78    H    ASN  10           H        ASN  10 -29.876  -4.517   6.534
   79    HA   ASN  10           HA       ASN  10 -31.949  -3.059   7.383
   80   1HB   ASN  10          2HB       ASN  10 -29.657  -3.187   8.422
   81   2HB   ASN  10          1HB       ASN  10 -29.169  -1.889   7.337
   82   1HD2  ASN  10          2HD2      ASN  10 -32.127  -0.909   9.981
   83   2HD2  ASN  10          1HD2      ASN  10 -32.215  -2.370   9.064
   84    H    TYR  11           H        TYR  11 -29.823  -2.040   4.727
   85    HA   TYR  11           HA       TYR  11 -30.639   0.566   4.448
   86   1HB   TYR  11          2HB       TYR  11 -28.848  -0.550   3.124
   87   2HB   TYR  11          1HB       TYR  11 -30.102  -1.280   2.128
   88    HD1  TYR  11           HD1      TYR  11 -28.589   1.932   3.157
   89    HD2  TYR  11           HD2      TYR  11 -31.152  -0.045   0.396
   90    HE1  TYR  11           HE1      TYR  11 -28.614   3.947   1.750
   91    HE2  TYR  11           HE2      TYR  11 -31.183   1.965  -1.021
   92    HH   TYR  11           HH       TYR  11 -29.515   3.997  -1.360
   93    HA   PRO  12           HA       PRO  12 -35.078   0.318   3.689
   94   1HB   PRO  12          2HB       PRO  12 -34.466   2.760   2.077
   95   2HB   PRO  12          1HB       PRO  12 -35.745   2.486   3.266
   96   1HG   PRO  12          2HG       PRO  12 -33.566   3.910   3.870
   97   2HG   PRO  12          1HG       PRO  12 -34.343   2.848   5.058
   98   1HD   PRO  12          2HD       PRO  12 -31.793   2.491   3.583
   99   2HD   PRO  12          1HD       PRO  12 -32.285   1.872   5.172
  100    H    VAL  13           H        VAL  13 -35.626  -1.257   2.290
  101    HA   VAL  13           HA       VAL  13 -34.500  -1.685  -0.240
  102    HB   VAL  13           HB       VAL  13 -35.964  -3.241   1.272
  103   1HG1  VAL  13          1HG1      VAL  13 -37.948  -1.591   0.840
  104   2HG1  VAL  13          3HG1      VAL  13 -38.132  -2.524  -0.646
  105   3HG1  VAL  13          2HG1      VAL  13 -38.233  -3.329   0.919
  106   1HG2  VAL  13          2HG2      VAL  13 -35.815  -3.209  -1.721
  107   2HG2  VAL  13          1HG2      VAL  13 -34.922  -4.204  -0.571
  108   3HG2  VAL  13          3HG2      VAL  13 -36.632  -4.518  -0.866
  109    H    SER  14           H        SER  14 -36.078   0.976   0.549
  110    HA   SER  14           HA       SER  14 -38.127   1.306  -1.325
  111   1HB   SER  14          2HB       SER  14 -37.526   3.806  -1.053
  112   2HB   SER  14          1HB       SER  14 -38.049   2.918   0.377
  113    HG   SER  14           HG       SER  14 -35.623   2.547   0.584
  114    H    LYS  15           H        LYS  15 -35.881   3.769  -1.875
  115    HA   LYS  15           HA       LYS  15 -35.864   3.389  -4.662
  116   1HB   LYS  15          2HB       LYS  15 -35.542   5.573  -3.539
  117   2HB   LYS  15          1HB       LYS  15 -33.963   5.036  -2.986
  118   1HG   LYS  15          2HG       LYS  15 -32.999   5.309  -5.025
  119   2HG   LYS  15          1HG       LYS  15 -34.471   4.882  -5.896
  120   1HD   LYS  15          2HD       LYS  15 -33.827   7.251  -6.192
  121   2HD   LYS  15          1HD       LYS  15 -35.420   7.055  -5.462
  122   1HE   LYS  15          2HE       LYS  15 -33.395   7.192  -3.407
  123   2HE   LYS  15          1HE       LYS  15 -33.270   8.582  -4.480
  124   1HZ   LYS  15          3HZ       LYS  15 -35.791   8.743  -4.151
  125   2HZ   LYS  15          2HZ       LYS  15 -35.549   7.745  -2.807
  126   3HZ   LYS  15          1HZ       LYS  15 -34.785   9.251  -2.889
  127    H    CYS  16           H        CYS  16 -34.182   2.780  -6.078
  128    HA   CYS  16           HA       CYS  16 -31.670   1.822  -5.195
  129   1HB   CYS  16          2HB       CYS  16 -33.875  -0.008  -4.961
  130   2HB   CYS  16          1HB       CYS  16 -32.736  -0.629  -6.147
  131    H    GLN  17           H        GLN  17 -33.601   2.946  -7.552
  132    HA   GLN  17           HA       GLN  17 -32.418   1.532  -9.786
  133   1HB   GLN  17          2HB       GLN  17 -34.567   3.552  -9.421
  134   2HB   GLN  17          1HB       GLN  17 -33.745   3.542 -10.975
  135   1HG   GLN  17          2HG       GLN  17 -34.956   1.084  -9.748
  136   2HG   GLN  17          1HG       GLN  17 -35.841   2.168 -10.822
  137   1HE2  GLN  17          2HE2      GLN  17 -32.618   0.894 -12.836
  138   2HE2  GLN  17          1HE2      GLN  17 -32.539   1.986 -11.500
  139    H    LEU  18           H        LEU  18 -32.067   4.572  -8.102
  140    HA   LEU  18           HA       LEU  18 -30.488   5.884 -10.054
  141   1HB   LEU  18          2HB       LEU  18 -30.886   6.306  -7.105
  142   2HB   LEU  18          1HB       LEU  18 -29.790   7.304  -8.044
  143    HG   LEU  18           HG       LEU  18 -32.157   8.187  -7.634
  144   1HD1  LEU  18          2HD1      LEU  18 -30.554   9.131  -9.252
  145   2HD1  LEU  18          1HD1      LEU  18 -31.173   8.023 -10.477
  146   3HD1  LEU  18          3HD1      LEU  18 -32.228   9.261  -9.794
  147   1HD2  LEU  18          2HD2      LEU  18 -33.194   5.961  -8.263
  148   2HD2  LEU  18          1HD2      LEU  18 -33.919   7.397  -8.985
  149   3HD2  LEU  18          3HD2      LEU  18 -32.837   6.382  -9.938
  150    H    ALA  19           H        ALA  19 -28.534   5.336 -10.699
  151    HA   ALA  19           HA       ALA  19 -26.855   3.471  -9.410
  152   1HB   ALA  19          3HB       ALA  19 -26.208   5.526 -11.520
  153   2HB   ALA  19          2HB       ALA  19 -25.146   4.204 -11.037
  154   3HB   ALA  19          1HB       ALA  19 -26.702   3.855 -11.793
  155    H    ASN  20           H        ASN  20 -27.582   5.441  -7.536
  156    HA   ASN  20           HA       ASN  20 -24.927   6.398  -6.782
  157   1HB   ASN  20          2HB       ASN  20 -26.814   8.105  -7.809
  158   2HB   ASN  20          1HB       ASN  20 -27.107   8.277  -6.094
  159   1HD2  ASN  20          2HD2      ASN  20 -23.542   9.244  -5.675
  160   2HD2  ASN  20          1HD2      ASN  20 -24.491   7.887  -5.186
  161    H    GLN  21           H        GLN  21 -27.535   7.505  -4.828
  162    HA   GLN  21           HA       GLN  21 -27.298   6.994  -2.445
  163   1HB   GLN  21          2HB       GLN  21 -29.510   5.991  -4.110
  164   2HB   GLN  21          1HB       GLN  21 -29.434   5.291  -2.500
  165   1HG   GLN  21          2HG       GLN  21 -29.300   8.251  -2.912
  166   2HG   GLN  21          1HG       GLN  21 -30.841   7.397  -2.850
  167   1HE2  GLN  21          2HE2      GLN  21 -28.777   6.676   0.543
  168   2HE2  GLN  21          1HE2      GLN  21 -28.226   6.155  -1.009
  169    H    CYS  22           H        CYS  22 -28.335   3.899  -3.806
  170    HA   CYS  22           HA       CYS  22 -27.125   2.337  -1.834
  171   1HB   CYS  22          2HB       CYS  22 -28.941   1.588  -3.387
  172   2HB   CYS  22          1HB       CYS  22 -27.738   1.474  -4.667
  173    H    ASN  23           H        ASN  23 -26.067   2.778  -5.212
  174    HA   ASN  23           HA       ASN  23 -23.669   1.408  -5.054
  175   1HB   ASN  23          2HB       ASN  23 -24.830   2.455  -7.107
  176   2HB   ASN  23          1HB       ASN  23 -23.978   3.935  -6.672
  177   1HD2  ASN  23          2HD2      ASN  23 -20.742   2.255  -7.170
  178   2HD2  ASN  23          1HD2      ASN  23 -21.563   3.026  -5.860
  179    H    TYR  24           H        TYR  24 -24.128   4.930  -4.697
  180    HA   TYR  24           HA       TYR  24 -21.541   5.599  -3.981
  181   1HB   TYR  24          2HB       TYR  24 -22.892   7.434  -4.382
  182   2HB   TYR  24          1HB       TYR  24 -24.221   6.803  -3.416
  183    HD1  TYR  24           HD1      TYR  24 -20.725   8.055  -3.045
  184    HD2  TYR  24           HD2      TYR  24 -24.596   7.703  -1.317
  185    HE1  TYR  24           HE1      TYR  24 -20.005   9.465  -1.165
  186    HE2  TYR  24           HE2      TYR  24 -23.887   9.112   0.571
  187    HH   TYR  24           HH       TYR  24 -20.645  10.550   0.672
  188    H    ASP  25           H        ASP  25 -24.267   4.811  -1.817
  189    HA   ASP  25           HA       ASP  25 -22.952   4.998   0.606
  190   1HB   ASP  25          2HB       ASP  25 -25.246   3.350  -0.379
  191   2HB   ASP  25          1HB       ASP  25 -24.570   2.978   1.204
  192    H    CYS  26           H        CYS  26 -23.222   2.173  -1.526
  193    HA   CYS  26           HA       CYS  26 -21.743   0.350  -0.055
  194   1HB   CYS  26          2HB       CYS  26 -22.441   0.738  -2.898
  195   2HB   CYS  26          1HB       CYS  26 -20.998  -0.234  -2.628
  196    H    LYS  27           H        LYS  27 -20.623   2.579  -2.567
  197    HA   LYS  27           HA       LYS  27 -17.889   2.072  -2.326
  198   1HB   LYS  27          2HB       LYS  27 -19.492   3.547  -3.988
  199   2HB   LYS  27          1HB       LYS  27 -18.603   4.806  -3.145
  200   1HG   LYS  27          2HG       LYS  27 -16.525   3.976  -3.902
  201   2HG   LYS  27          1HG       LYS  27 -17.253   2.474  -4.474
  202   1HD   LYS  27          2HD       LYS  27 -18.512   3.726  -6.160
  203   2HD   LYS  27          1HD       LYS  27 -17.777   5.228  -5.590
  204   1HE   LYS  27          2HE       LYS  27 -16.311   4.806  -7.267
  205   2HE   LYS  27          1HE       LYS  27 -15.556   3.776  -6.051
  206   1HZ   LYS  27          1HZ       LYS  27 -17.193   2.017  -7.004
  207   2HZ   LYS  27          3HZ       LYS  27 -17.192   3.020  -8.367
  208   3HZ   LYS  27          2HZ       LYS  27 -15.743   2.348  -7.809
  209    H    LEU  28           H        LEU  28 -19.499   2.951   0.268
  210    HA   LEU  28           HA       LEU  28 -17.236   4.246   1.444
  211   1HB   LEU  28          2HB       LEU  28 -18.516   6.050   0.122
  212   2HB   LEU  28          1HB       LEU  28 -19.700   5.947   1.411
  213    HG   LEU  28           HG       LEU  28 -18.138   7.799   1.758
  214   1HD1  LEU  28          2HD1      LEU  28 -19.127   6.295   3.633
  215   2HD1  LEU  28          1HD1      LEU  28 -17.454   5.776   3.843
  216   3HD1  LEU  28          3HD1      LEU  28 -17.878   7.478   4.025
  217   1HD2  LEU  28          3HD2      LEU  28 -16.230   6.341   0.659
  218   2HD2  LEU  28          2HD2      LEU  28 -15.864   7.601   1.837
  219   3HD2  LEU  28          1HD2      LEU  28 -15.915   5.911   2.340
  220    H    ASP  29           H        ASP  29 -20.769   3.977   1.912
  221    HA   ASP  29           HA       ASP  29 -20.637   3.915   4.729
  222   1HB   ASP  29          2HB       ASP  29 -22.725   3.230   2.701
  223   2HB   ASP  29          1HB       ASP  29 -22.986   2.780   4.383
  224    H    LYS  30           H        LYS  30 -19.807   1.559   2.446
  225    HA   LYS  30           HA       LYS  30 -19.626  -0.452   4.569
  226   1HB   LYS  30          2HB       LYS  30 -20.830  -0.934   1.838
  227   2HB   LYS  30          1HB       LYS  30 -20.375  -2.213   2.957
  228   1HG   LYS  30          2HG       LYS  30 -22.286  -0.058   3.775
  229   2HG   LYS  30          1HG       LYS  30 -22.831  -1.464   2.859
  230   1HD   LYS  30          2HD       LYS  30 -21.153  -1.997   5.248
  231   2HD   LYS  30          1HD       LYS  30 -22.784  -1.392   5.544
  232   1HE   LYS  30          2HE       LYS  30 -22.784  -3.813   5.545
  233   2HE   LYS  30          1HE       LYS  30 -23.688  -3.210   4.155
  234   1HZ   LYS  30          3HZ       LYS  30 -20.850  -4.059   4.010
  235   2HZ   LYS  30          2HZ       LYS  30 -22.149  -5.090   3.674
  236   3HZ   LYS  30          1HZ       LYS  30 -21.891  -3.719   2.719
  237    H    HIS  31           H        HIS  31 -17.785   1.358   3.075
  238    HA   HIS  31           HA       HIS  31 -15.854   1.283   1.804
  239   1HB   HIS  31          2HB       HIS  31 -14.897  -1.044   3.352
  240   2HB   HIS  31          1HB       HIS  31 -14.233   0.584   3.232
  241    HD1  HIS  31           HD1      HIS  31 -16.659  -1.478   5.204
  242    HD2  HIS  31           HD2      HIS  31 -15.044   2.352   5.227
  243    HE1  HIS  31           HE1      HIS  31 -17.323  -0.482   7.415
  244    HE2  HIS  31           HE2      HIS  31 -16.279   1.809   7.436
  245    H    ALA  32           H        ALA  32 -17.872  -0.190   0.475
  246    HA   ALA  32           HA       ALA  32 -16.668  -2.688  -0.382
  247   1HB   ALA  32          3HB       ALA  32 -19.216  -2.110  -0.092
  248   2HB   ALA  32          2HB       ALA  32 -19.047  -1.521  -1.746
  249   3HB   ALA  32          1HB       ALA  32 -18.676  -3.202  -1.368
  250    H    ARG  33           H        ARG  33 -16.938  -2.984  -2.933
  251    HA   ARG  33           HA       ARG  33 -15.136  -1.009  -4.102
  252   1HB   ARG  33          2HB       ARG  33 -15.773  -3.853  -4.567
  253   2HB   ARG  33          1HB       ARG  33 -15.478  -2.928  -6.031
  254   1HG   ARG  33          2HG       ARG  33 -13.560  -2.756  -3.750
  255   2HG   ARG  33          1HG       ARG  33 -13.518  -4.136  -4.850
  256   1HD   ARG  33          2HD       ARG  33 -13.184  -1.224  -5.546
  257   2HD   ARG  33          1HD       ARG  33 -11.968  -2.497  -5.648
  258    HE   ARG  33           HE       ARG  33 -13.940  -1.861  -7.599
  259   1HH1  ARG  33          1HH2      ARG  33 -12.150  -4.505  -6.207
  260   2HH1  ARG  33          2HH2      ARG  33 -12.253  -5.492  -7.628
  261   1HH2  ARG  33          2HH1      ARG  33 -14.082  -3.154  -9.474
  262   2HH2  ARG  33          1HH1      ARG  33 -13.353  -4.725  -9.483
  263    H    SER  34           H        SER  34 -18.384  -2.143  -4.270
  264    HA   SER  34           HA       SER  34 -19.404   0.080  -5.573
  265   1HB   SER  34          2HB       SER  34 -20.073  -1.277  -7.747
  266   2HB   SER  34          1HB       SER  34 -18.541  -0.407  -7.662
  267    HG   SER  34           HG       SER  34 -17.499  -2.242  -7.677
  268    H    GLY  35           H        GLY  35 -21.632  -0.937  -6.869
  269   1HA   GLY  35          2HA       GLY  35 -22.842  -3.151  -5.686
  270   2HA   GLY  35          1HA       GLY  35 -23.192  -1.770  -4.661
  271    H    GLU  36           H        GLU  36 -25.352  -2.741  -5.431
  272    HA   GLU  36           HA       GLU  36 -26.642  -0.840  -7.012
  273   1HB   GLU  36          2HB       GLU  36 -25.295  -2.725  -8.583
  274   2HB   GLU  36          1HB       GLU  36 -26.968  -3.259  -8.614
  275   1HG   GLU  36          2HG       GLU  36 -25.980  -0.511  -9.347
  276   2HG   GLU  36          1HG       GLU  36 -26.455  -1.779 -10.476
  277    H    CYS  37           H        CYS  37 -28.666  -2.670  -8.068
  278    HA   CYS  37           HA       CYS  37 -29.628  -4.068  -5.700
  279   1HB   CYS  37          2HB       CYS  37 -30.567  -1.486  -6.399
  280   2HB   CYS  37          1HB       CYS  37 -31.858  -2.615  -6.795
  281    H    PHE  38           H        PHE  38 -30.988  -5.778  -6.130
  282    HA   PHE  38           HA       PHE  38 -31.907  -6.168  -8.870
  283   1HB   PHE  38          2HB       PHE  38 -29.919  -7.945  -7.481
  284   2HB   PHE  38          1HB       PHE  38 -30.940  -8.540  -8.786
  285    HD1  PHE  38           HD1      PHE  38 -30.746  -7.535 -11.049
  286    HD2  PHE  38           HD2      PHE  38 -28.026  -6.604  -7.915
  287    HE1  PHE  38           HE1      PHE  38 -29.150  -6.654 -12.701
  288    HE2  PHE  38           HE2      PHE  38 -26.424  -5.722  -9.559
  289    HZ   PHE  38           HZ       PHE  38 -26.985  -5.745 -11.957
  290    H    TYR  39           H        TYR  39 -33.273  -8.113  -9.093
  291    HA   TYR  39           HA       TYR  39 -34.916  -8.452  -6.688
  292   1HB   TYR  39          2HB       TYR  39 -35.463  -8.539  -9.622
  293   2HB   TYR  39          1HB       TYR  39 -36.497  -9.475  -8.547
  294    HD1  TYR  39           HD1      TYR  39 -37.920  -8.352  -6.909
  295    HD2  TYR  39           HD2      TYR  39 -35.544  -6.125  -9.641
  296    HE1  TYR  39           HE1      TYR  39 -39.238  -6.341  -6.401
  297    HE2  TYR  39           HE2      TYR  39 -36.855  -4.105  -9.141
  298    HH   TYR  39           HH       TYR  39 -38.967  -3.449  -8.253
  299    H    ASP  40           H        ASP  40 -34.727 -10.264  -5.573
  300    HA   ASP  40           HA       ASP  40 -33.133 -12.426  -6.213
  301   1HB   ASP  40          2HB       ASP  40 -34.046 -13.527  -4.340
  302   2HB   ASP  40          1HB       ASP  40 -34.208 -11.817  -3.958
  303    H    GLU  41           H        GLU  41 -33.933 -14.746  -6.461
  304    HA   GLU  41           HA       GLU  41 -35.260 -14.967  -8.930
  305   1HB   GLU  41          2HB       GLU  41 -34.379 -16.952  -6.864
  306   2HB   GLU  41          1HB       GLU  41 -35.349 -17.477  -8.233
  307   1HG   GLU  41          2HG       GLU  41 -33.658 -16.559  -9.759
  308   2HG   GLU  41          1HG       GLU  41 -32.674 -16.109  -8.368
  309    H    LYS  42           H        LYS  42 -36.901 -13.560  -7.103
  310    HA   LYS  42           HA       LYS  42 -39.313 -15.157  -7.357
  311   1HB   LYS  42          2HB       LYS  42 -38.043 -14.457  -4.795
  312   2HB   LYS  42          1HB       LYS  42 -39.751 -14.049  -4.883
  313   1HG   LYS  42          2HG       LYS  42 -38.686 -16.770  -5.577
  314   2HG   LYS  42          1HG       LYS  42 -39.191 -16.318  -3.948
  315   1HD   LYS  42          2HD       LYS  42 -41.368 -16.558  -4.460
  316   2HD   LYS  42          1HD       LYS  42 -41.202 -15.605  -5.933
  317   1HE   LYS  42          2HE       LYS  42 -41.932 -17.765  -6.583
  318   2HE   LYS  42          1HE       LYS  42 -40.230 -17.645  -7.027
  319   1HZ   LYS  42          2HZ       LYS  42 -39.891 -18.727  -4.702
  320   2HZ   LYS  42          1HZ       LYS  42 -41.489 -19.241  -4.909
  321   3HZ   LYS  42          3HZ       LYS  42 -40.304 -19.689  -6.030
  322    H    ARG  43           H        ARG  43 -38.705 -12.247  -5.471
  323    HA   ARG  43           HA       ARG  43 -39.382 -10.352  -7.415
  324   1HB   ARG  43          2HB       ARG  43 -41.606 -11.636  -7.084
  325   2HB   ARG  43          1HB       ARG  43 -41.690 -10.803  -5.542
  326   1HG   ARG  43          2HG       ARG  43 -42.962  -9.487  -6.965
  327   2HG   ARG  43          1HG       ARG  43 -41.411  -8.651  -6.895
  328   1HD   ARG  43          2HD       ARG  43 -42.306  -8.769  -9.180
  329   2HD   ARG  43          1HD       ARG  43 -40.763  -9.602  -9.027
  330    HE   ARG  43           HE       ARG  43 -41.860 -11.649  -9.320
  331   1HH1  ARG  43          1HH2      ARG  43 -44.082  -8.968  -9.321
  332   2HH1  ARG  43          2HH2      ARG  43 -45.372  -9.868 -10.046
  333   1HH2  ARG  43          2HH1      ARG  43 -43.552 -12.845 -10.280
  334   2HH2  ARG  43          1HH1      ARG  43 -45.071 -12.073 -10.591
  335    H    ASN  44           H        ASN  44 -37.790 -10.974  -4.901
  336    HA   ASN  44           HA       ASN  44 -38.472  -8.619  -3.282
  337   1HB   ASN  44          2HB       ASN  44 -37.334 -11.234  -2.704
  338   2HB   ASN  44          1HB       ASN  44 -36.318  -9.952  -2.060
  339   1HD2  ASN  44          2HD2      ASN  44 -40.082 -10.544  -0.584
  340   2HD2  ASN  44          1HD2      ASN  44 -39.650 -11.117  -2.155
  341    H    LEU  45           H        LEU  45 -37.342  -6.800  -3.492
  342    HA   LEU  45           HA       LEU  45 -34.943  -6.794  -5.142
  343   1HB   LEU  45          2HB       LEU  45 -36.686  -5.122  -5.557
  344   2HB   LEU  45          1HB       LEU  45 -36.500  -4.515  -3.921
  345    HG   LEU  45           HG       LEU  45 -34.135  -3.904  -4.491
  346   1HD1  LEU  45          1HD1      LEU  45 -34.994  -5.037  -7.097
  347   2HD1  LEU  45          3HD1      LEU  45 -33.944  -3.621  -7.117
  348   3HD1  LEU  45          2HD1      LEU  45 -33.425  -5.089  -6.297
  349   1HD2  LEU  45          1HD2      LEU  45 -36.526  -2.687  -5.801
  350   2HD2  LEU  45          3HD2      LEU  45 -35.532  -2.074  -4.477
  351   3HD2  LEU  45          2HD2      LEU  45 -34.922  -2.032  -6.131
  352    H    GLN  46           H        GLN  46 -32.904  -6.318  -4.430
  353    HA   GLN  46           HA       GLN  46 -32.529  -5.455  -1.671
  354   1HB   GLN  46          2HB       GLN  46 -31.659  -8.117  -2.751
  355   2HB   GLN  46          1HB       GLN  46 -30.783  -7.349  -1.435
  356   1HG   GLN  46          2HG       GLN  46 -32.703  -7.394  -0.027
  357   2HG   GLN  46          1HG       GLN  46 -33.736  -7.909  -1.359
  358   1HE2  GLN  46          2HE2      GLN  46 -33.328 -11.228  -0.567
  359   2HE2  GLN  46          1HE2      GLN  46 -34.315  -9.936  -1.151
  360    H    CYS  47           H        CYS  47 -30.575  -4.479  -1.252
  361    HA   CYS  47           HA       CYS  47 -29.163  -3.491  -3.564
  362   1HB   CYS  47          2HB       CYS  47 -29.530  -2.698  -0.790
  363   2HB   CYS  47          1HB       CYS  47 -27.855  -2.517  -1.300
  364    H    ILE  48           H        ILE  48 -27.638  -4.750  -4.460
  365    HA   ILE  48           HA       ILE  48 -26.069  -6.547  -2.788
  366    HB   ILE  48           HB       ILE  48 -25.782  -6.230  -5.765
  367   1HG1  ILE  48          2HG1      ILE  48 -27.888  -7.643  -4.166
  368   2HG1  ILE  48          1HG1      ILE  48 -28.058  -6.710  -5.648
  369   1HG2  ILE  48          3HG2      ILE  48 -24.069  -7.489  -4.449
  370   2HG2  ILE  48          2HG2      ILE  48 -25.338  -8.625  -3.991
  371   3HG2  ILE  48          1HG2      ILE  48 -24.886  -8.444  -5.687
  372   1HD1  ILE  48          3HD1      ILE  48 -26.929  -8.542  -6.871
  373   2HD1  ILE  48          2HD1      ILE  48 -26.913  -9.480  -5.377
  374   3HD1  ILE  48          1HD1      ILE  48 -28.447  -9.026  -6.117
  375    H    CYS  49           H        CYS  49 -24.244  -5.909  -1.899
  376    HA   CYS  49           HA       CYS  49 -22.748  -3.672  -3.061
  377   1HB   CYS  49          2HB       CYS  49 -23.434  -4.126  -0.486
  378   2HB   CYS  49          1HB       CYS  49 -21.847  -4.885  -0.505
  379    H    ASP  50           H        ASP  50 -21.058  -4.064  -4.321
  380    HA   ASP  50           HA       ASP  50 -19.831  -6.719  -4.309
  381   1HB   ASP  50          2HB       ASP  50 -20.528  -5.777  -6.476
  382   2HB   ASP  50          1HB       ASP  50 -19.463  -4.398  -6.220
  383    H    TYR  51           H        TYR  51 -17.782  -7.119  -3.700
  384    HA   TYR  51           HA       TYR  51 -16.243  -4.865  -2.586
  385   1HB   TYR  51          2HB       TYR  51 -16.522  -7.741  -1.798
  386   2HB   TYR  51          1HB       TYR  51 -15.104  -6.820  -1.310
  387    HD1  TYR  51           HD1      TYR  51 -18.811  -6.883  -1.117
  388    HD2  TYR  51           HD2      TYR  51 -15.195  -5.377   0.545
  389    HE1  TYR  51           HE1      TYR  51 -20.073  -5.973   0.784
  390    HE2  TYR  51           HE2      TYR  51 -16.448  -4.465   2.454
  391    HH   TYR  51           HH       TYR  51 -19.928  -4.425   2.521
  392    H    CYS  52           H        CYS  52 -16.295  -6.982  -5.178
  393    HA   CYS  52           HA       CYS  52 -13.461  -6.472  -5.706
  394   1HB   CYS  52          2HB       CYS  52 -14.718  -9.211  -5.942
  395   2HB   CYS  52          1HB       CYS  52 -13.069  -8.788  -6.393
  396    H    GLU  53           H        GLU  53 -14.656  -8.858  -7.692
  397    HA   GLU  53           HA       GLU  53 -15.395  -8.945  -9.842
  398   1HB   GLU  53          2HB       GLU  53 -17.257  -7.492  -8.851
  399   2HB   GLU  53          1HB       GLU  53 -16.404  -6.122  -9.551
  400   1HG   GLU  53          2HG       GLU  53 -17.412  -8.498 -11.098
  401   2HG   GLU  53          1HG       GLU  53 -18.243  -6.948 -10.963
  402    H    TYR  54           HN       TYR  54 -14.166  -8.795 -11.617
  403    HA   TYR  54           HA       TYR  54 -11.848  -7.254 -11.735
  404   1HB   TYR  54          2HB       TYR  54 -13.401  -8.878 -13.687
  405   2HB   TYR  54          1HB       TYR  54 -12.205  -7.766 -14.343
  406    HD1  TYR  54           HD2      TYR  54  -9.805  -7.950 -13.449
  407    HD2  TYR  54           HD1      TYR  54 -12.749 -10.968 -12.867
  408    HE1  TYR  54           HE2      TYR  54  -8.028  -9.589 -13.005
  409    HE2  TYR  54           HE1      TYR  54 -10.979 -12.616 -12.422
  410    HH   TYR  54           HH       TYR  54  -7.546 -11.707 -12.562
   
  No H/Q in entry =         410