*HEADER    MEMBRANE PROTEIN                        09-APR-14   2MNS              
*TITLE     SOLUTION NMR STRUCTURE OF THE REOVIRUS P15 FUSION-ASSOCIATED SMALL    
*TITLE    2 TRANSMEMBRANE (FAST) PROTEIN FUSION-INDUCING LIPID PACKING SENSOR    
*TITLE    3 (FLIPS) MOTIF IN DODECYL PHOSPHOCHOLINE (DPC) MICELLES               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MEMBRANE FUSION PROTEIN P15;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 68-87;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BABOON ORTHOREOVIRUS;                           
*SOURCE   3 ORGANISM_TAXID: 75888;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    P15 FLIPS, FAST PROTEIN, FUSION PROTEIN, REOVIRUS, MEMBRANE PROTEIN   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    50                                                                    
*AUTHOR    M.SARKER, R.DUNCAN, J.READ, J.RAINEY                                  
*REVDAT   1   23-APR-14 2MNS    0                                                


! Autogenerated using SparkyNOEcal5.tcl from Sparky peak list:
!  P15_ALPS_DPC_NOE_200ms.prn
 
! Intraresidue NOEs
 
! =========== Intraresidue contacts to residue 0 ============
 
! =========== Intraresidue contacts to residue 1 ============
assign (resid   1 and name HB*) (resid   1 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 1.997
assign (resid   1 and name HB*) (resid   1 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.001
assign (resid   1 and name HG) (resid   1 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.017
assign (resid   1 and name HG) (resid   1 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.320
assign (resid   1 and name HG) (resid   1 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.504
assign (resid   1 and name HB*) (resid   1 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 18. (11 viol avg 0.180)
assign (resid   1 and name HD**) (resid   1 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.594
assign (resid   1 and name HB*) (resid   1 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 18. (11 viol avg 0.180)
assign (resid   1 and name HD**) (resid   1 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.701
assign (resid   1 and name HA) (resid   1 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.703
assign (resid   1 and name HD**) (resid   1 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.705
assign (resid   1 and name HD**) (resid   1 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.738
assign (resid   1 and name HG) (resid   1 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.814
assign (resid   1 and name HA) (resid   1 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.833
assign (resid   1 and name HA) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.952
assign (resid   1 and name HN) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.975
assign (resid   1 and name HN) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.983
assign (resid   1 and name HB*) (resid   1 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.004
assign (resid   1 and name HB*) (resid   1 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.067
assign (resid   1 and name HA) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.086
assign (resid   1 and name HG) (resid   1 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.092
assign (resid   1 and name HN) (resid   1 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.213
assign (resid   1 and name HN) (resid   1 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.339
assign (resid   1 and name HD**) (resid   1 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.583
assign (resid   1 and name HD**) (resid   1 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.654
assign (resid   1 and name HN) (resid   1 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.737
assign (resid   1 and name HN) (resid   1 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.901
 
! =========== Intraresidue contacts to residue 2 ============
assign (resid   2 and name HA*) (resid   2 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.291
assign (resid   2 and name HN) (resid   2 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.359
 
! =========== Intraresidue contacts to residue 3 ============
! assign (resid   3 and name HB*) (resid   3 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   3 and name HB*) (resid   3 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.283
assign (resid   3 and name HB*) (resid   3 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.420
assign (resid   3 and name HB*) (resid   3 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (32 viol avg 0.482)
assign (resid   3 and name HA) (resid   3 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.594
assign (resid   3 and name HG) (resid   3 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (39 viol avg 0.286)
assign (resid   3 and name HA) (resid   3 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.800
assign (resid   3 and name HB*) (resid   3 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.839
assign (resid   3 and name HN) (resid   3 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.882
assign (resid   3 and name HA) (resid   3 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 2.885
assign (resid   3 and name HA) (resid   3 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.948
assign (resid   3 and name HN) (resid   3 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.039
assign (resid   3 and name HA) (resid   3 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.072
assign (resid   3 and name HD**) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.200
assign (resid   3 and name HB*) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.261
assign (resid   3 and name HN) (resid   3 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.261
assign (resid   3 and name HD**) (resid   3 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.339
assign (resid   3 and name HB*) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.383
assign (resid   3 and name HA) (resid   3 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.383
assign (resid   3 and name HD**) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.402
assign (resid   3 and name HD**) (resid   3 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.442
assign (resid   3 and name HN) (resid   3 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.485
assign (resid   3 and name HN) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.496
assign (resid   3 and name HG) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.901
 
! =========== Intraresidue contacts to residue 4 ============
! assign (resid   4 and name HB*) (resid   4 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   4 and name HB*) (resid   4 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   4 and name HB*) (resid   4 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.222
assign (resid   4 and name HB*) (resid   4 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.338
assign (resid   4 and name HB*) (resid   4 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.451
assign (resid   4 and name HA) (resid   4 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.466
assign (resid   4 and name HG) (resid   4 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.605
assign (resid   4 and name HN) (resid   4 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.619
assign (resid   4 and name HB*) (resid   4 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.699
assign (resid   4 and name HG) (resid   4 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.718
assign (resid   4 and name HA) (resid   4 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (44 viol avg 0.147)
assign (resid   4 and name HN) (resid   4 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.792
assign (resid   4 and name HA) (resid   4 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.895
assign (resid   4 and name HD**) (resid   4 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.971
assign (resid   4 and name HA) (resid   4 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.043
assign (resid   4 and name HD**) (resid   4 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.048
assign (resid   4 and name HA) (resid   4 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.086
assign (resid   4 and name HB*) (resid   4 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.145
assign (resid   4 and name HD**) (resid   4 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.157
assign (resid   4 and name HN) (resid   4 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.254
assign (resid   4 and name HN) (resid   4 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.268
assign (resid   4 and name HB*) (resid   4 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.276
assign (resid   4 and name HD**) (resid   4 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.496
assign (resid   4 and name HA) (resid   4 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.901
assign (resid   4 and name HG) (resid   4 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.489
 
! =========== Intraresidue contacts to residue 5 ============
assign (resid   5 and name HB*) (resid   5 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (12 viol avg 0.180)
assign (resid   5 and name HA) (resid   5 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.450
assign (resid   5 and name HA) (resid   5 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 15. (20 viol avg 0.131)
assign (resid   5 and name HN) (resid   5 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (12 viol avg 0.180)
assign (resid   5 and name HB*) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.866
assign (resid   5 and name HN) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.193
 
! =========== Intraresidue contacts to residue 6 ============
assign (resid   6 and name HD*) (resid   6 and name HE*)  2.300 0.500 0.500 ! no changes - calc dist 2.071
assign (resid   6 and name HE*) (resid   6 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.141
assign (resid   6 and name HB*) (resid   6 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.405
assign (resid   6 and name HB*) (resid   6 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.479
assign (resid   6 and name HA) (resid   6 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.485
assign (resid   6 and name HN) (resid   6 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.539
assign (resid   6 and name HA) (resid   6 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (11 viol avg 0.129)
assign (resid   6 and name HD*) (resid   6 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.668
assign (resid   6 and name HA) (resid   6 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.869
assign (resid   6 and name HN) (resid   6 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 20. (28 viol avg 0.122)
assign (resid   6 and name HD*) (resid   6 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 20. (28 viol avg 0.122)
assign (resid   6 and name HB*) (resid   6 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.625
assign (resid   6 and name HB*) (resid   6 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   6 and name HE*) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.032
assign (resid   6 and name HA) (resid   6 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (59 viol avg 0.492)
! assign (resid   6 and name HN) (resid   6 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 19
! assign (resid   6 and name HE*) (resid   6 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 19
 
! =========== Intraresidue contacts to residue 7 ============
! assign (resid   7 and name HA*) (resid   7 and name HA*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   7 and name HA*) (resid   7 and name HA*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   7 and name HA*) (resid   7 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.603
assign (resid   7 and name HA*) (resid   7 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.645
assign (resid   7 and name HN) (resid   7 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.705
assign (resid   7 and name HN) (resid   7 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.750
 
! =========== Intraresidue contacts to residue 8 ============
assign (resid   8 and name HA) (resid   8 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.217
assign (resid   8 and name HB*) (resid   8 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.303
assign (resid   8 and name HN) (resid   8 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.373
assign (resid   8 and name HA) (resid   8 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (30 viol avg 0.131)
assign (resid   8 and name HB*) (resid   8 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.666
assign (resid   8 and name HN) (resid   8 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.240
 
! =========== Intraresidue contacts to residue 9 ============
assign (resid   9 and name HA*) (resid   9 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.329
assign (resid   9 and name HN) (resid   9 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.430
 
! =========== Intraresidue contacts to residue 10 ============
assign (resid   10 and name HG**) (resid   10 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.377
assign (resid   10 and name HG**) (resid   10 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.380
assign (resid   10 and name HA) (resid   10 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.425
assign (resid   10 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (10 viol avg 0.132)
assign (resid   10 and name HB) (resid   10 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.504
assign (resid   10 and name HN) (resid   10 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.516
assign (resid   10 and name HG**) (resid   10 and name HB)  2.300 0.500 0.500 ! no changes - calc dist 2.564
assign (resid   10 and name HB) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (17 viol avg 0.370)
assign (resid   10 and name HN) (resid   10 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (10 viol avg 0.132)
assign (resid   10 and name HB) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.828
assign (resid   10 and name HN) (resid   10 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 2.987
assign (resid   10 and name HA) (resid   10 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.034
 
! =========== Intraresidue contacts to residue 11 ============
assign (resid   11 and name HA) (resid   11 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.187
assign (resid   11 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (29 viol avg 0.260)
assign (resid   11 and name HN) (resid   11 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (29 viol avg 0.260)
assign (resid   11 and name HA) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (16 viol avg 0.140)
assign (resid   11 and name HB*) (resid   11 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.709
assign (resid   11 and name HN) (resid   11 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.339
 
! =========== Intraresidue contacts to residue 12 ============
assign (resid   12 and name HA) (resid   12 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.337
assign (resid   12 and name HB*) (resid   12 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (23 viol avg 0.164)
assign (resid   12 and name HN) (resid   12 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (23 viol avg 0.164)
assign (resid   12 and name HA) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.848
assign (resid   12 and name HB*) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.283
 
! =========== Intraresidue contacts to residue 13 ============
assign (resid   13 and name HB*) (resid   13 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.188
! assign (resid   13 and name HB*) (resid   13 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   13 and name HB*) (resid   13 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   13 and name HD**) (resid   13 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.287
assign (resid   13 and name HB*) (resid   13 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 17. (10 viol avg 0.147)
assign (resid   13 and name HB*) (resid   13 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.446
assign (resid   13 and name HN) (resid   13 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 17. (10 viol avg 0.147)
assign (resid   13 and name HA) (resid   13 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.559
assign (resid   13 and name HB*) (resid   13 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.659
assign (resid   13 and name HB*) (resid   13 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.759
assign (resid   13 and name HB*) (resid   13 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.759
assign (resid   13 and name HA) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.831
assign (resid   13 and name HD**) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.889
assign (resid   13 and name HD**) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.923
assign (resid   13 and name HA) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.937
assign (resid   13 and name HB*) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.963
assign (resid   13 and name HA) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.016
assign (resid   13 and name HA) (resid   13 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.145
assign (resid   13 and name HN) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.421
assign (resid   13 and name HN) (resid   13 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.421
 
! =========== Intraresidue contacts to residue 14 ============
! assign (resid   14 and name HD*) (resid   14 and name HD*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   14 and name HD*) (resid   14 and name HD*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   14 and name HB*) (resid   14 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   14 and name HB*) (resid   14 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   14 and name HG*) (resid   14 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.509
assign (resid   14 and name HG*) (resid   14 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.509
assign (resid   14 and name HB*) (resid   14 and name HG*)  2.300 0.500 0.500 ! no changes - calc dist 2.538
assign (resid   14 and name HB*) (resid   14 and name HG*)  2.300 0.500 0.500 ! no changes - calc dist 2.655
assign (resid   14 and name HA) (resid   14 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.738
assign (resid   14 and name HB*) (resid   14 and name HG*)  2.300 0.500 0.500 ! no changes - calc dist 2.755
assign (resid   14 and name HB*) (resid   14 and name HG*)  2.300 0.500 0.500 ! no changes - calc dist 2.769
assign (resid   14 and name HG*) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.816
assign (resid   14 and name HG*) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.866
assign (resid   14 and name HG*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.895
assign (resid   14 and name HG*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.902
assign (resid   14 and name HD*) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 2.909
assign (resid   14 and name HG*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.959
assign (resid   14 and name HD*) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 2.959
assign (resid   14 and name HD*) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 2.979
assign (resid   14 and name HG*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.012
assign (resid   14 and name HD*) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.034
assign (resid   14 and name HA) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.039
assign (resid   14 and name HA) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.213
assign (resid   14 and name HA) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.276
assign (resid   14 and name HA) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.276
assign (resid   14 and name HD*) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.383
assign (resid   14 and name HA) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   14 and name HD*) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.463
assign (resid   14 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.507
assign (resid   14 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.596
assign (resid   14 and name HD*) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.686
assign (resid   14 and name HD*) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.703
assign (resid   14 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.719
assign (resid   14 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.755
 
! =========== Intraresidue contacts to residue 15 ============
assign (resid   15 and name HD**) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.342
assign (resid   15 and name HD**) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.400
assign (resid   15 and name HA) (resid   15 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.491
assign (resid   15 and name HD**) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.494
assign (resid   15 and name HB*) (resid   15 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.507
assign (resid   15 and name HD**) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.546
assign (resid   15 and name HN) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.579
assign (resid   15 and name HA) (resid   15 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.653
assign (resid   15 and name HA) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.659
assign (resid   15 and name HB*) (resid   15 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.670
assign (resid   15 and name HB*) (resid   15 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.688
assign (resid   15 and name HA) (resid   15 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.696
assign (resid   15 and name HD**) (resid   15 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.745
assign (resid   15 and name HN) (resid   15 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.800
assign (resid   15 and name HA) (resid   15 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.825
assign (resid   15 and name HD**) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.912
assign (resid   15 and name HD**) (resid   15 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.926
assign (resid   15 and name HB*) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.944
assign (resid   15 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.959
assign (resid   15 and name HG) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.030
assign (resid   15 and name HD**) (resid   15 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.048
assign (resid   15 and name HA) (resid   15 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.067
assign (resid   15 and name HG) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.072
assign (resid   15 and name HN) (resid   15 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.169
 
! =========== Intraresidue contacts to residue 16 ============
! assign (resid   16 and name HB*) (resid   16 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   16 and name HB*) (resid   16 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   16 and name HB*) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.263
assign (resid   16 and name HB*) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.328
assign (resid   16 and name HB*) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.365
assign (resid   16 and name HB*) (resid   16 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.404
assign (resid   16 and name HB*) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.448
assign (resid   16 and name HD**) (resid   16 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.505
assign (resid   16 and name HD**) (resid   16 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.521
assign (resid   16 and name HA) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.543
assign (resid   16 and name HD**) (resid   16 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.565
assign (resid   16 and name HD**) (resid   16 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.587
assign (resid   16 and name HN) (resid   16 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.678
assign (resid   16 and name HA) (resid   16 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.714
assign (resid   16 and name HB*) (resid   16 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.774
assign (resid   16 and name HD**) (resid   16 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.782
assign (resid   16 and name HA) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.825
assign (resid   16 and name HA) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.860
assign (resid   16 and name HB*) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.869
assign (resid   16 and name HB*) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.971
assign (resid   16 and name HN) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.975
assign (resid   16 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.112
assign (resid   16 and name HD**) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.163
assign (resid   16 and name HD**) (resid   16 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.233
assign (resid   16 and name HD**) (resid   16 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.339
assign (resid   16 and name HN) (resid   16 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.348
assign (resid   16 and name HN) (resid   16 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.452
 
! =========== Intraresidue contacts to residue 17 ============
! assign (resid   17 and name HD2*) (resid   17 and name HD2*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   17 and name HD2*) (resid   17 and name HD2*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   17 and name HA) (resid   17 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.298
assign (resid   17 and name HB*) (resid   17 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.360
assign (resid   17 and name HN) (resid   17 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.418
assign (resid   17 and name HA) (resid   17 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.605
assign (resid   17 and name HD2*) (resid   17 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.097
assign (resid   17 and name HB*) (resid   17 and name HD2*)  2.900 1.100 1.100 ! no changes - calc dist 3.213
assign (resid   17 and name HD2*) (resid   17 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.283
assign (resid   17 and name HB*) (resid   17 and name HD2*)  2.900 1.100 1.100 ! no changes - calc dist 3.392
assign (resid   17 and name HA) (resid   17 and name HD2*)  2.900 1.100 1.100 ! no changes - calc dist 3.610
assign (resid   17 and name HD2*) (resid   17 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (23 viol avg 0.120)
assign (resid   17 and name HN) (resid   17 and name HD2*)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (23 viol avg 0.120)
assign (resid   17 and name HA) (resid   17 and name HD2*)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   17 and name HB*) (resid   17 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   17 and name HN) (resid   17 and name HD2*)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   17 and name HD2*) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.431
 
! =========== Intraresidue contacts to residue 18 ============
! assign (resid   18 and name HG**) (resid   18 and name HG**)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   18 and name HG**) (resid   18 and name HG**)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   18 and name HB) (resid   18 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.457
assign (resid   18 and name HB) (resid   18 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.555
assign (resid   18 and name HA) (resid   18 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.571
assign (resid   18 and name HG**) (resid   18 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.655
assign (resid   18 and name HB) (resid   18 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.659
assign (resid   18 and name HA) (resid   18 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.692
assign (resid   18 and name HG**) (resid   18 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.743
assign (resid   18 and name HN) (resid   18 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.748
assign (resid   18 and name HG**) (resid   18 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.752
assign (resid   18 and name HG**) (resid   18 and name HB)  2.300 0.500 0.500 ! no changes - calc dist 2.782
assign (resid   18 and name HA) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.839
assign (resid   18 and name HN) (resid   18 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.923
assign (resid   18 and name HB) (resid   18 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.930
assign (resid   18 and name HG**) (resid   18 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 2.944
assign (resid   18 and name HN) (resid   18 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 2.987
assign (resid   18 and name HG**) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.157
assign (resid   18 and name HA) (resid   18 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.193
assign (resid   18 and name HN) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.233
 
! =========== Intraresidue contacts to residue 19 ============
assign (resid   19 and name HB) (resid   19 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.387
assign (resid   19 and name HG1*) (resid   19 and name HD1*)  2.300 0.500 0.500 ! no changes - calc dist 2.610
! assign (resid   19 and name HG1*) (resid   19 and name HG1*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   19 and name HG1*) (resid   19 and name HG1*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   19 and name HA) (resid   19 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.692
assign (resid   19 and name HG2*) (resid   19 and name HB)  2.300 0.500 0.500 ! no changes - calc dist 2.709
assign (resid   19 and name HB) (resid   19 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.782
assign (resid   19 and name HG2*) (resid   19 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.798
assign (resid   19 and name HD1*) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 2.814
assign (resid   19 and name HG1*) (resid   19 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 2.889
assign (resid   19 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.892
assign (resid   19 and name HG1*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.948
assign (resid   19 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.012
assign (resid   19 and name HN) (resid   19 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.043
assign (resid   19 and name HB) (resid   19 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.043
assign (resid   19 and name HG1*) (resid   19 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.052
assign (resid   19 and name HB) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.072
assign (resid   19 and name HG1*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.081
assign (resid   19 and name HG2*) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.097
assign (resid   19 and name HG2*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.134
assign (resid   19 and name HD1*) (resid   19 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.140
assign (resid   19 and name HN) (resid   19 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.157
assign (resid   19 and name HG1*) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.181
assign (resid   19 and name HB) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.200
assign (resid   19 and name HA) (resid   19 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.213
assign (resid   19 and name HG1*) (resid   19 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.261
assign (resid   19 and name HN) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   19 and name HG1*) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.402
assign (resid   19 and name HD1*) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.531
assign (resid   19 and name HD1*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.569
assign (resid   19 and name HA) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.569
assign (resid   19 and name HA) (resid   19 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.596
assign (resid   19 and name HN) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.596
assign (resid   19 and name HA) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.774
assign (resid   19 and name HN) (resid   19 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.855
assign (resid   19 and name HG1*) (resid   19 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.621
 
! =========== Intraresidue contacts to residue 20 ============
assign (resid   20 and name HA) (resid   20 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.313
assign (resid   20 and name HB*) (resid   20 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.548
assign (resid   20 and name HN) (resid   20 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.582
assign (resid   20 and name HA) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.869
assign (resid   20 and name HB*) (resid   20 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.930
assign (resid   20 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.654
 
! --------------------------------------------------------------------------
! i +/- 1 contacts
 
! =========== i+1 contacts to residue 0 ============
assign (resid   1 and name HN) (resid   0 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.227
assign (resid   0 and name HA*) (resid   1 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.480
assign (resid   1 and name HD**) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 2.808
assign (resid   1 and name HB*) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 2.979
assign (resid   0 and name HA*) (resid   1 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.097
assign (resid   1 and name HD**) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.206
assign (resid   1 and name HA) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.331
assign (resid   1 and name HB*) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.339
assign (resid   1 and name HG) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.583
assign (resid   0 and name HA*) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.686
assign (resid   0 and name HA*) (resid   1 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.737
assign (resid   0 and name HA*) (resid   1 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.793
assign (resid   0 and name HA*) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.855
assign (resid   0 and name HA*) (resid   1 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.163
 
! =========== i+1 contacts to residue 1 ============
assign (resid   2 and name HN) (resid   1 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.836
assign (resid   1 and name HN) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.905
assign (resid   1 and name HA) (resid   2 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (64 viol avg 0.250)
assign (resid   1 and name HA) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.102
assign (resid   1 and name HB*) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.402
assign (resid   1 and name HB*) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.442
assign (resid   1 and name HG) (resid   2 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (22 viol avg 0.292)
assign (resid   2 and name HN) (resid   1 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.531
assign (resid   2 and name HN) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.719
assign (resid   2 and name HN) (resid   1 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (22 viol avg 0.292)
assign (resid   2 and name HA*) (resid   1 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (38 viol avg 0.417)
assign (resid   2 and name HN) (resid   1 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.877
assign (resid   2 and name HA*) (resid   1 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (13 viol avg 0.124)
assign (resid   2 and name HN) (resid   1 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.004
assign (resid   1 and name HN) (resid   2 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.032
assign (resid   1 and name HD**) (resid   2 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   2 and name HA*) (resid   1 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   1 and name HD**) (resid   2 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.201
assign (resid   2 and name HN) (resid   1 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.489
 
! =========== i+1 contacts to residue 2 ============
assign (resid   2 and name HA*) (resid   3 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.629
assign (resid   3 and name HN) (resid   2 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.718
assign (resid   2 and name HN) (resid   3 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.885
assign (resid   3 and name HN) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.905
assign (resid   3 and name HA) (resid   2 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (12 viol avg 0.182)
assign (resid   3 and name HD**) (resid   2 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.496
assign (resid   3 and name HB*) (resid   2 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (40 viol avg 0.255)
assign (resid   3 and name HG) (resid   2 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.625
assign (resid   2 and name HA*) (resid   3 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.793
assign (resid   2 and name HA*) (resid   3 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (12 viol avg 0.182)
assign (resid   2 and name HA*) (resid   3 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (40 viol avg 0.255)
assign (resid   3 and name HB*) (resid   2 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.329
assign (resid   3 and name HA) (resid   2 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   2 and name HN) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.786
 
! =========== i+1 contacts to residue 3 ============
assign (resid   3 and name HN) (resid   4 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.657
assign (resid   4 and name HN) (resid   3 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.666
assign (resid   4 and name HN) (resid   3 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.925
assign (resid   3 and name HN) (resid   4 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (10 viol avg 0.231)
 
! =========== i+1 contacts to residue 4 ============
assign (resid   4 and name HN) (resid   5 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.021
assign (resid   5 and name HN) (resid   4 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.124
assign (resid   4 and name HB*) (resid   5 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.008
assign (resid   4 and name HD**) (resid   5 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (13 viol avg 0.210)
 
! =========== i+1 contacts to residue 5 ============
! assign (resid   6 and name HD*) (resid   5 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 21
assign (resid   6 and name HB*) (resid   5 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (89 viol avg 0.367)
! assign (resid   6 and name HE*) (resid   5 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
 
! =========== i+1 contacts to residue 6 ============
assign (resid   7 and name HN) (resid   6 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.795
assign (resid   6 and name HN) (resid   7 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.863
assign (resid   6 and name HB*) (resid   7 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.959
assign (resid   6 and name HA) (resid   7 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.995
assign (resid   7 and name HN) (resid   6 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.025
assign (resid   6 and name HA) (resid   7 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (54 viol avg 0.298)
assign (resid   7 and name HA*) (resid   6 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (53 viol avg 0.251)
assign (resid   7 and name HA*) (resid   6 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (32 viol avg 0.163)
assign (resid   7 and name HN) (resid   6 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (16 viol avg 0.165)
assign (resid   6 and name HB*) (resid   7 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (53 viol avg 0.251)
assign (resid   6 and name HD*) (resid   7 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (16 viol avg 0.165)
assign (resid   7 and name HA*) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   6 and name HA) (resid   7 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.201
assign (resid   6 and name HB*) (resid   7 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.201
assign (resid   7 and name HA*) (resid   6 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (32 viol avg 0.163)
! assign (resid   7 and name HA*) (resid   6 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign (resid   6 and name HD*) (resid   7 and name HA*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (32 viol avg 0.163)
! assign (resid   7 and name HN) (resid   6 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
 
! =========== i+1 contacts to residue 7 ============
assign (resid   7 and name HN) (resid   8 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.798
assign (resid   7 and name HA*) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.926
assign (resid   8 and name HN) (resid   7 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.926
assign (resid   7 and name HA*) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.930
assign (resid   8 and name HN) (resid   7 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.077
assign (resid   8 and name HN) (resid   7 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.187
assign (resid   7 and name HA*) (resid   8 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (13 viol avg 0.139)
assign (resid   8 and name HB*) (resid   7 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (13 viol avg 0.139)
assign (resid   8 and name HA) (resid   7 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (51 viol avg 0.452)
assign (resid   8 and name HB*) (resid   7 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (25 viol avg 0.160)
assign (resid   8 and name HB*) (resid   7 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (13 viol avg 0.139)
assign (resid   7 and name HA*) (resid   8 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.004
 
! =========== i+1 contacts to residue 8 ============
assign (resid   9 and name HN) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.833
assign (resid   8 and name HA) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.885
assign (resid   8 and name HB*) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.944
assign (resid   8 and name HN) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.944
assign (resid   9 and name HN) (resid   8 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.979
assign (resid   9 and name HA*) (resid   8 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.314
assign (resid   8 and name HA) (resid   9 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (47 viol avg 0.178)
assign (resid   8 and name HB*) (resid   9 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.402
assign (resid   9 and name HN) (resid   8 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   9 and name HA*) (resid   8 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (47 viol avg 0.178)
 
! =========== i+1 contacts to residue 9 ============
assign (resid   9 and name HA*) (resid   10 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.439
assign (resid   10 and name HN) (resid   9 and name HA*)  2.300 0.500 0.500 ! no changes - calc dist 2.705
assign (resid   9 and name HN) (resid   10 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.819
assign (resid   10 and name HN) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.854
assign (resid   10 and name HG**) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.737
assign (resid   9 and name HN) (resid   10 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.901
assign (resid   10 and name HB) (resid   9 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   9 and name HN) (resid   10 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.885
 
! =========== i+1 contacts to residue 10 ============
assign (resid   10 and name HN) (resid   11 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.612
assign (resid   11 and name HN) (resid   10 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.617
assign (resid   10 and name HA) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 2. (79 viol avg 0.607)
assign (resid   10 and name HG**) (resid   11 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.869
assign (resid   11 and name HN) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.902
assign (resid   11 and name HB*) (resid   10 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (32 viol avg 0.454)
assign (resid   10 and name HB) (resid   11 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.092
assign (resid   11 and name HN) (resid   10 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.145
assign (resid   10 and name HN) (resid   11 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (32 viol avg 0.454)
assign (resid   11 and name HN) (resid   10 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.507
assign (resid   11 and name HB*) (resid   10 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 11. (24 viol avg 0.543)
assign (resid   11 and name HA) (resid   10 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (21 viol avg 0.223)
assign (resid   10 and name HB) (resid   11 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (65 viol avg 0.487)
assign (resid   11 and name HB*) (resid   10 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.283
assign (resid   11 and name HA) (resid   10 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   10 and name HB) (resid   11 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.885
 
! =========== i+1 contacts to residue 11 ============
assign (resid   11 and name HA) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.816
assign (resid   12 and name HN) (resid   11 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.842
assign (resid   11 and name HN) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.848
assign (resid   11 and name HB*) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.926
assign (resid   12 and name HN) (resid   11 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.021
assign (resid   11 and name HB*) (resid   12 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 16. (15 viol avg 0.183)
assign (resid   12 and name HA) (resid   11 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (30 viol avg 0.326)
assign (resid   12 and name HN) (resid   11 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.625
assign (resid   11 and name HN) (resid   12 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (10 viol avg 0.198)
assign (resid   12 and name HA) (resid   11 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (21 viol avg 0.247)
 
! =========== i+1 contacts to residue 12 ============
assign (resid   13 and name HN) (resid   12 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.692
assign (resid   12 and name HN) (resid   13 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.714
assign (resid   12 and name HB*) (resid   13 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 2. (76 viol avg 0.649)
assign (resid   13 and name HN) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.876
assign (resid   13 and name HB*) (resid   12 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 13. (27 viol avg 0.354)
assign (resid   13 and name HA) (resid   12 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (20 viol avg 0.169)
assign (resid   13 and name HD**) (resid   12 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 21. (13 viol avg 0.150)
assign (resid   13 and name HB*) (resid   12 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (21 viol avg 0.169)
assign (resid   13 and name HA) (resid   12 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 16. (20 viol avg 0.147)
assign (resid   12 and name HN) (resid   13 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   12 and name HA) (resid   13 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (27 viol avg 0.246)
assign (resid   13 and name HB*) (resid   12 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.621
 
! =========== i+1 contacts to residue 13 ============
assign (resid   13 and name HA) (resid   14 and name HD*)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (95 viol avg 0.631)
assign (resid   13 and name HA) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.808
assign (resid   14 and name HD*) (resid   13 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.034
assign (resid   13 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.206
assign (resid   14 and name HD*) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.247
assign (resid   13 and name HD**) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.261
assign (resid   14 and name HD*) (resid   13 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.268
assign (resid   14 and name HD*) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.283
assign (resid   13 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.339
assign (resid   13 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.348
assign (resid   13 and name HB*) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.365
assign (resid   14 and name HD*) (resid   13 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.365
assign (resid   14 and name HD*) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.463
assign (resid   14 and name HD*) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.474
assign (resid   14 and name HD*) (resid   13 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.485
assign (resid   13 and name HD**) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.531
assign (resid   13 and name HN) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.544
assign (resid   14 and name HG*) (resid   13 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (13 viol avg 0.148)
assign (resid   14 and name HD*) (resid   13 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.670
assign (resid   13 and name HD**) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.737
assign (resid   14 and name HG*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.201
assign (resid   13 and name HB*) (resid   14 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (10 viol avg 0.252)
assign (resid   14 and name HB*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   14 and name HG*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   14 and name HG*) (resid   13 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (13 viol avg 0.148)
assign (resid   13 and name HB*) (resid   14 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (13 viol avg 0.148)
assign (resid   14 and name HB*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.621
 
! =========== i+1 contacts to residue 14 ============
assign (resid   14 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 2. (66 viol avg 0.642)
assign (resid   14 and name HB*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.254
assign (resid   14 and name HB*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.474
assign (resid   14 and name HD*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.544
assign (resid   15 and name HN) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.556
assign (resid   15 and name HN) (resid   14 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.583
assign (resid   15 and name HN) (resid   14 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.625
assign (resid   14 and name HG*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.625
assign (resid   15 and name HN) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   14 and name HG*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.834
assign (resid   14 and name HA) (resid   15 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (86 viol avg 0.565)
assign (resid   15 and name HN) (resid   14 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.004
assign (resid   14 and name HA) (resid   15 and name HG)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   14 and name HB*) (resid   15 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   15 and name HA) (resid   14 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (10 viol avg 0.209)
assign (resid   14 and name HB*) (resid   15 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.885
assign (resid   14 and name HD*) (resid   15 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.999
assign (resid   14 and name HD*) (resid   15 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.300
 
! =========== i+1 contacts to residue 15 ============
assign (resid   16 and name HN) (resid   15 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.736
assign (resid   15 and name HA) (resid   16 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 2. (69 viol avg 0.583)
assign (resid   15 and name HN) (resid   16 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.811
assign (resid   16 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.339
 
! =========== i+1 contacts to residue 16 ============
assign (resid   16 and name HN) (resid   17 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.319
assign (resid   17 and name HN) (resid   16 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.367
assign (resid   16 and name HB*) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.975
assign (resid   16 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.987
assign (resid   16 and name HB*) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.169
assign (resid   17 and name HB*) (resid   16 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (41 viol avg 0.182)
assign (resid   16 and name HD**) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.556
assign (resid   17 and name HB*) (resid   16 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (23 viol avg 0.111)
assign (resid   16 and name HD**) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   16 and name HA) (resid   17 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (61 viol avg 0.152)
assign (resid   16 and name HB*) (resid   17 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.283
assign (resid   16 and name HD**) (resid   17 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 16. (11 viol avg 0.153)
assign (resid   17 and name HB*) (resid   16 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 16. (11 viol avg 0.153)
assign (resid   17 and name HB*) (resid   16 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (61 viol avg 0.152)
assign (resid   17 and name HB*) (resid   16 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.699
 
! =========== i+1 contacts to residue 17 ============
assign (resid   18 and name HN) (resid   17 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.790
assign (resid   17 and name HN) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.839
assign (resid   17 and name HB*) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.967
assign (resid   18 and name HN) (resid   17 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.979
assign (resid   17 and name HA) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.187
assign (resid   17 and name HB*) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.596
assign (resid   18 and name HG**) (resid   17 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.610
assign (resid   17 and name HB*) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.686
assign (resid   18 and name HA) (resid   17 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (43 viol avg 0.498)
assign (resid   18 and name HG**) (resid   17 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.774
assign (resid   17 and name HB*) (resid   18 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (43 viol avg 0.498)
assign (resid   18 and name HG**) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.032
assign (resid   17 and name HA) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   18 and name HB) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   17 and name HN) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   17 and name HB*) (resid   18 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   17 and name HN) (resid   18 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.786
 
! =========== i+1 contacts to residue 18 ============
assign (resid   19 and name HN) (resid   18 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.661
assign (resid   18 and name HN) (resid   19 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.701
assign (resid   18 and name HB) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.092
assign (resid   19 and name HN) (resid   18 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.356
assign (resid   18 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.365
assign (resid   19 and name HN) (resid   18 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   19 and name HN) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.463
assign (resid   19 and name HN) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.507
assign (resid   19 and name HG1*) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.556
assign (resid   18 and name HG**) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.610
assign (resid   18 and name HB) (resid   19 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (20 viol avg 0.221)
assign (resid   18 and name HG**) (resid   19 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.925
assign (resid   19 and name HG1*) (resid   18 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (90 viol avg 0.145)
assign (resid   19 and name HA) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   18 and name HG**) (resid   19 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   18 and name HN) (resid   19 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (66 viol avg 0.486)
assign (resid   19 and name HB) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   19 and name HB) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   18 and name HB) (resid   19 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.201
assign (resid   18 and name HB) (resid   19 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.329
assign (resid   19 and name HG1*) (resid   18 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.329
assign (resid   19 and name HG1*) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   19 and name HA) (resid   18 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   18 and name HN) (resid   19 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 11. (22 viol avg 0.220)
assign (resid   18 and name HN) (resid   19 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   19 and name HG1*) (resid   18 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (21 viol avg 0.145)
assign (resid   19 and name HG1*) (resid   18 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.699
 
! =========== i+1 contacts to residue 19 ============
assign (resid   19 and name HN) (resid   20 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.727
assign (resid   20 and name HN) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.819
assign (resid   19 and name HB) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.975
assign (resid   19 and name HA) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.151
assign (resid   19 and name HG2*) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.247
assign (resid   20 and name HN) (resid   19 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.348
assign (resid   20 and name HN) (resid   19 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.356
assign (resid   20 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.365
assign (resid   19 and name HG1*) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.556
assign (resid   19 and name HB) (resid   20 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.877
assign (resid   19 and name HD1*) (resid   20 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (43 viol avg 0.336)
assign (resid   19 and name HN) (resid   20 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (68 viol avg 0.251)
assign (resid   19 and name HG1*) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.004
assign (resid   20 and name HB*) (resid   19 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   20 and name HB*) (resid   19 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   20 and name HA) (resid   19 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 11. (82 viol avg 0.229)
assign (resid   20 and name HA) (resid   19 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.699
 
! =========== i+1 contacts to residue 20 ============
 
! --------------------------------------------------------------------------
! i +/- 2 contacts
 
! =========== i+2 contacts to residue 0 ============
assign (resid   2 and name HN) (resid   0 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.140
assign (resid   0 and name HA*) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.610
 
! =========== i+2 contacts to residue 1 ============
assign (resid   3 and name HN) (resid   1 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   1 and name HN) (resid   3 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.163
 
! =========== i+2 contacts to residue 2 ============
assign (resid   2 and name HA*) (resid   4 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.322
assign (resid   4 and name HN) (resid   2 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.925
assign (resid   2 and name HN) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.094
 
! =========== i+2 contacts to residue 3 ============
assign (resid   3 and name HN) (resid   5 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (22 viol avg 0.255)
assign (resid   3 and name HN) (resid   5 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (48 viol avg 0.315)
 
! =========== i+2 contacts to residue 4 ============
! assign (resid   4 and name HB*) (resid   6 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
 
! =========== i+2 contacts to residue 5 ============
assign (resid   5 and name HA) (resid   7 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (15 viol avg 0.130)
assign (resid   5 and name HA) (resid   7 and name HA*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (27 viol avg 0.211)
assign (resid   7 and name HN) (resid   5 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.786
 
! =========== i+2 contacts to residue 6 ============
assign (resid   6 and name HA) (resid   8 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (10 viol avg 0.146)
assign (resid   6 and name HB*) (resid   8 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   8 and name HN) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   8 and name HN) (resid   6 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (21 viol avg 0.148)
assign (resid   8 and name HB*) (resid   6 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
assign (resid   6 and name HD*) (resid   8 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (21 viol avg 0.148)
assign (resid   6 and name HB*) (resid   8 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
 
! =========== i+2 contacts to residue 7 ============
assign (resid   7 and name HA*) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.755
assign (resid   7 and name HA*) (resid   9 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.032
 
! =========== i+2 contacts to residue 8 ============
 
! =========== i+2 contacts to residue 9 ============
assign (resid   11 and name HN) (resid   9 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (18 viol avg 0.161)
 
! =========== i+2 contacts to residue 10 ============
assign (resid   12 and name HN) (resid   10 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 16. (14 viol avg 0.139)
assign (resid   10 and name HB) (resid   12 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   12 and name HN) (resid   10 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.786
! assign (resid   10 and name HB) (resid   12 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
 
! =========== i+2 contacts to residue 11 ============
assign (resid   13 and name HB*) (resid   11 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (80 viol avg 0.661)
! assign (resid   13 and name HB*) (resid   11 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 17
 
! =========== i+2 contacts to residue 12 ============
assign (resid   14 and name HD*) (resid   12 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (21 viol avg 0.358)
! assign (resid   14 and name HG*) (resid   12 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 17
! assign (resid   14 and name HB*) (resid   12 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid   14 and name HD*) (resid   12 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   12 and name HA) (resid   14 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.699
 
! =========== i+2 contacts to residue 13 ============
 
! =========== i+2 contacts to residue 14 ============
assign (resid   14 and name HA) (resid   16 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (93 viol avg 0.639)
! assign (resid   14 and name HA) (resid   16 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   14 and name HB*) (resid   16 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   16 and name HN) (resid   14 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   14 and name HB*) (resid   16 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   14 and name HD*) (resid   16 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (14 viol avg 0.129)
assign (resid   14 and name HD*) (resid   16 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.786
assign (resid   16 and name HN) (resid   14 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.135
 
! =========== i+2 contacts to residue 15 ============
assign (resid   15 and name HB*) (resid   17 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (80 viol avg 0.251)
assign (resid   15 and name HN) (resid   17 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.329
! assign (resid   15 and name HB*) (resid   17 and name HD2*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
! assign (resid   15 and name HN) (resid   17 and name HD2*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 18
assign (resid   17 and name HB*) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   17 and name HB*) (resid   15 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (80 viol avg 0.251)
 
! =========== i+2 contacts to residue 16 ============
assign (resid   18 and name HN) (resid   16 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   18 and name HN) (resid   16 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.283
assign (resid   18 and name HN) (resid   16 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   18 and name HG**) (resid   16 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.786
assign (resid   18 and name HN) (resid   16 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (13 viol avg 0.178)
 
! =========== i+2 contacts to residue 17 ============
 
! =========== i+2 contacts to residue 18 ============
assign (resid   20 and name HN) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.686
assign (resid   18 and name HN) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.774
assign (resid   18 and name HA) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.004
assign (resid   20 and name HB*) (resid   18 and name HG**)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (36 viol avg 0.350)
assign (resid   18 and name HB) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   20 and name HN) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   18 and name HG**) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   18 and name HN) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.786
assign (resid   20 and name HB*) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.786
assign (resid   20 and name HN) (resid   18 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.885
! assign (resid   20 and name HA) (resid   18 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
 
! =========== i+2 contacts to residue 19 ============
 
! =========== i+2 contacts to residue 20 ============
 
! --------------------------------------------------------------------------
! i +/- 3 contacts
 
! =========== i+3 contacts to residue 0 ============
assign (resid   3 and name HN) (resid   0 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (11 viol avg 0.127)
assign (resid   0 and name HA*) (resid   3 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (11 viol avg 0.127)
 
! =========== i+3 contacts to residue 1 ============
assign (resid   1 and name HN) (resid   4 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (16 viol avg 0.177)
assign (resid   1 and name HN) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.999
assign (resid   4 and name HN) (resid   1 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.999
 
! =========== i+3 contacts to residue 2 ============
assign (resid   2 and name HN) (resid   5 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (19 viol avg 0.218)
 
! =========== i+3 contacts to residue 3 ============
assign (resid   3 and name HA) (resid   6 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.298
assign (resid   3 and name HA) (resid   6 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (15 viol avg 0.493)
assign (resid   3 and name HA) (resid   6 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 19. (20 viol avg 0.141)
assign (resid   6 and name HB*) (resid   3 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   3 and name HB*) (resid   6 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   6 and name HD*) (resid   3 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   3 and name HB*) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   3 and name HB*) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.699
! assign (resid   3 and name HN) (resid   6 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 22
assign (resid   3 and name HB*) (resid   6 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.885
assign (resid   6 and name HB*) (resid   3 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (15 viol avg 0.194)
assign (resid   6 and name HB*) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.999
assign (resid   6 and name HB*) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.999
assign (resid   3 and name HG) (resid   6 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (22 viol avg 0.149)
assign (resid   3 and name HN) (resid   6 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (15 viol avg 0.194)
 
! =========== i+3 contacts to residue 4 ============
! assign (resid   7 and name HN) (resid   4 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 21
assign (resid   4 and name HB*) (resid   7 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (26 viol avg 0.128)
assign (resid   4 and name HB*) (resid   7 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (26 viol avg 0.128)
 
! =========== i+3 contacts to residue 5 ============
! assign (resid   8 and name HA) (resid   5 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 11
assign (resid   5 and name HA) (resid   8 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (17 viol avg 0.154)
assign (resid   8 and name HN) (resid   5 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.489
 
! =========== i+3 contacts to residue 6 ============
! assign (resid   6 and name HA) (resid   9 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
! assign (resid   9 and name HA*) (resid   6 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
! assign (resid   6 and name HB*) (resid   9 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 17
! assign (resid   9 and name HA*) (resid   6 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
! assign (resid   6 and name HB*) (resid   9 and name HA*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 11
 
! =========== i+3 contacts to residue 7 ============
assign (resid   10 and name HG**) (resid   7 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.169
assign (resid   10 and name HG**) (resid   7 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.463
assign (resid   7 and name HA*) (resid   10 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.556
assign (resid   10 and name HB) (resid   7 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   7 and name HA*) (resid   10 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   10 and name HB) (resid   7 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.283
assign (resid   7 and name HA*) (resid   10 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.786
! assign (resid   10 and name HB) (resid   7 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
 
! =========== i+3 contacts to residue 8 ============
 
! =========== i+3 contacts to residue 9 ============
assign (resid   9 and name HN) (resid   12 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (30 viol avg 0.270)
assign (resid   12 and name HN) (resid   9 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (30 viol avg 0.270)
 
! =========== i+3 contacts to residue 10 ============
assign (resid   13 and name HB*) (resid   10 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign (resid   10 and name HA) (resid   13 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign (resid   13 and name HB*) (resid   10 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign (resid   13 and name HB*) (resid   10 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (16 viol avg 0.173)
assign (resid   10 and name HB) (resid   13 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (16 viol avg 0.173)
 
! =========== i+3 contacts to residue 11 ============
assign (resid   11 and name HA) (resid   14 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.241
assign (resid   14 and name HG*) (resid   11 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.241
assign (resid   14 and name HD*) (resid   11 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   11 and name HA) (resid   14 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   11 and name HN) (resid   14 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 13. (25 viol avg 0.343)
assign (resid   11 and name HB*) (resid   14 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   14 and name HG*) (resid   11 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.885
assign (resid   14 and name HD*) (resid   11 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.135
 
! =========== i+3 contacts to residue 12 ============
! assign (resid   15 and name HB*) (resid   12 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 17
! assign (resid   12 and name HA) (resid   15 and name HG)  3.900 2.100 2.100 ! could be commented out due to major violation after round 13
! assign (resid   15 and name HA) (resid   12 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
 
! =========== i+3 contacts to residue 13 ============
assign (resid   13 and name HA) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.877
 
! =========== i+3 contacts to residue 14 ============
assign (resid   14 and name HB*) (resid   17 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (27 viol avg 0.167)
assign (resid   14 and name HB*) (resid   17 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   14 and name HB*) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.163
assign (resid   17 and name HB*) (resid   14 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   17 and name HB*) (resid   14 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (34 viol avg 0.117)
assign (resid   14 and name HG*) (resid   17 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (34 viol avg 0.117)
assign (resid   17 and name HB*) (resid   14 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   17 and name HB*) (resid   14 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (34 viol avg 0.117)
assign (resid   14 and name HD*) (resid   17 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.786
assign (resid   17 and name HN) (resid   14 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.135
 
! =========== i+3 contacts to residue 15 ============
assign (resid   15 and name HD**) (resid   18 and name HG**)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (20 viol avg 0.440)
assign (resid   15 and name HA) (resid   18 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.118
assign (resid   15 and name HA) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.365
assign (resid   18 and name HA) (resid   15 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (42 viol avg 0.135)
assign (resid   18 and name HG**) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.496
assign (resid   15 and name HA) (resid   18 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.670
assign (resid   18 and name HB) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.703
assign (resid   15 and name HB*) (resid   18 and name HG**)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (27 viol avg 0.128)
assign (resid   18 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.976
assign (resid   18 and name HG**) (resid   15 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   15 and name HB*) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   15 and name HN) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.329
assign (resid   18 and name HG**) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.329
assign (resid   15 and name HG) (resid   18 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   18 and name HB) (resid   15 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   18 and name HG**) (resid   15 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   18 and name HN) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.489
assign (resid   18 and name HN) (resid   15 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.552
assign (resid   18 and name HN) (resid   15 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   18 and name HN) (resid   15 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.699
 
! =========== i+3 contacts to residue 16 ============
assign (resid   16 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.519
assign (resid   16 and name HA) (resid   19 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.544
assign (resid   19 and name HB) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.583
assign (resid   19 and name HG1*) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.834
assign (resid   19 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.877
assign (resid   16 and name HA) (resid   19 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   19 and name HN) (resid   16 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.621
assign (resid   19 and name HN) (resid   16 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (53 viol avg 0.402)
assign (resid   19 and name HG1*) (resid   16 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.300
 
! =========== i+3 contacts to residue 17 ============
assign (resid   17 and name HA) (resid   20 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.226
assign (resid   17 and name HA) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.421
assign (resid   17 and name HB*) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.062
assign (resid   20 and name HB*) (resid   17 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.094
assign (resid   20 and name HB*) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.128
assign (resid   20 and name HN) (resid   17 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   17 and name HN) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   17 and name HB*) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.489
 
! =========== i+3 contacts to residue 18 ============
 
! =========== i+3 contacts to residue 19 ============
 
! =========== i+3 contacts to residue 20 ============
 
! --------------------------------------------------------------------------
! i +/- 4 contacts
 
! =========== i+4 contacts to residue 0 ============
 
! =========== i+4 contacts to residue 1 ============
 
! =========== i+4 contacts to residue 2 ============
! assign (resid   6 and name HB*) (resid   2 and name HA*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
! assign (resid   6 and name HE*) (resid   2 and name HA*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
 
! =========== i+4 contacts to residue 3 ============
! assign (resid   3 and name HB*) (resid   7 and name HA*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
 
! =========== i+4 contacts to residue 4 ============
! assign (resid   8 and name HB*) (resid   4 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign (resid   4 and name HB*) (resid   8 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (17 viol avg 0.246)
assign (resid   4 and name HB*) (resid   8 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (17 viol avg 0.246)
 
! =========== i+4 contacts to residue 5 ============
! assign (resid   5 and name HA) (resid   9 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
 
! =========== i+4 contacts to residue 6 ============
 
! =========== i+4 contacts to residue 7 ============
 
! =========== i+4 contacts to residue 8 ============
 
! =========== i+4 contacts to residue 9 ============
 
! =========== i+4 contacts to residue 10 ============
assign (resid   10 and name HB) (resid   14 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (15 viol avg 0.233)
assign (resid   14 and name HG*) (resid   10 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
 
! =========== i+4 contacts to residue 11 ============
assign (resid   15 and name HB*) (resid   11 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (21 viol avg 0.164)
assign (resid   11 and name HB*) (resid   15 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (21 viol avg 0.164)
! assign (resid   15 and name HD**) (resid   11 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 19
! assign (resid   11 and name HB*) (resid   15 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 18
 
! =========== i+4 contacts to residue 12 ============
! assign (resid   12 and name HN) (resid   16 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 17
 
! =========== i+4 contacts to residue 13 ============
! assign (resid   17 and name HB*) (resid   13 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign (resid   13 and name HB*) (resid   17 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.135
 
! =========== i+4 contacts to residue 14 ============
assign (resid   14 and name HG*) (resid   18 and name HG**)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (19 viol avg 0.326)
assign (resid   18 and name HG**) (resid   14 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.431
assign (resid   14 and name HD*) (resid   18 and name HG**)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (52 viol avg 0.151)
assign (resid   18 and name HG**) (resid   14 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.135
 
! =========== i+4 contacts to residue 15 ============
! assign (resid   19 and name HN) (resid   15 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 20
assign (resid   19 and name HN) (resid   15 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.999
! assign (resid   19 and name HN) (resid   15 and name HG)  3.900 2.100 2.100 ! could be commented out due to major violation after round 11
 
! =========== i+4 contacts to residue 16 ============
assign (resid   16 and name HD**) (resid   20 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (33 viol avg 0.178)
assign (resid   16 and name HA) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.834
assign (resid   16 and name HA) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.283
assign (resid   20 and name HN) (resid   16 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   20 and name HB*) (resid   16 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.378
assign (resid   20 and name HN) (resid   16 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 16. (17 viol avg 0.125)
 
! =========== i+4 contacts to residue 17 ============
 
! =========== i+4 contacts to residue 18 ============
 
! =========== i+4 contacts to residue 19 ============
 
! =========== i+4 contacts to residue 20 ============
 
! --------------------------------------------------------------------------
! i +/- 5 and longer contacts
 
! =========== i+5 or longer contacts to residue 0 ============
 
! =========== i+5 or longer contacts to residue 1 ============
 
! =========== i+5 or longer contacts to residue 2 ============
 
! =========== i+5 or longer contacts to residue 3 ============
 
! =========== i+5 or longer contacts to residue 4 ============
 
! =========== i+5 or longer contacts to residue 5 ============
 
! =========== i+5 or longer contacts to residue 6 ============
 
! =========== i+5 or longer contacts to residue 7 ============
assign (resid   7 and name HA*) (resid   12 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (55 viol avg 0.317)
 
! =========== i+5 or longer contacts to residue 8 ============
! assign (resid   8 and name HB*) (resid   13 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
 
! =========== i+5 or longer contacts to residue 9 ============
 
! =========== i+5 or longer contacts to residue 10 ============
! assign (resid   15 and name HA) (resid   10 and name HB)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
! assign (resid   10 and name HB) (resid   15 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
 
! =========== i+5 or longer contacts to residue 11 ============
assign (resid   16 and name HD**) (resid   11 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (20 viol avg 0.183)
assign (resid   11 and name HB*) (resid   16 and name HD**)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (20 viol avg 0.183)
assign (resid   11 and name HB*) (resid   16 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (59 viol avg 0.246)
 
! =========== i+5 or longer contacts to residue 12 ============
 
! =========== i+5 or longer contacts to residue 13 ============
! assign (resid   18 and name HG**) (resid   13 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
 
! =========== i+5 or longer contacts to residue 14 ============
 
! =========== i+5 or longer contacts to residue 15 ============
 
! =========== i+5 or longer contacts to residue 16 ============
 
! =========== i+5 or longer contacts to residue 17 ============
 
! =========== i+5 or longer contacts to residue 18 ============
 
! =========== i+5 or longer contacts to residue 19 ============
 
! =========== i+5 or longer contacts to residue 20 ============
 
! --------------------------------------------------------------------------
! Ambiguous NOEs
! assign ((resid   20 and name H1) or (resid   20 and name H1))
       ((resid   20 and name H2) or (resid   20 and name H2))
        2.300 0.500 0.500 ! no changes - calc dist 1.800
! assign ((resid   20 and name H2) or (resid   20 and name H2))
       ((resid   20 and name H1) or (resid   20 and name H1))
        2.300 0.500 0.500 ! no changes - calc dist 1.805
assign ((resid   4 and name HA))
       ((resid   5 and name HN) or (resid   6 and name HN))
        2.900 1.100 1.100 ! incr to 4.0 after round 6. (48 viol avg 0.465)
assign ((resid   11 and name HB*))
       ((resid   15 and name HD**) or (resid   16 and name HD**))
        3.400 1.600 1.600 ! incr to 5.0 after round 22. (10 viol avg 0.269)
assign ((resid   20 and name H1) or (resid   20 and name H2))
       ((resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.187
assign ((resid   20 and name HN))
       ((resid   20 and name H1) or (resid   20 and name H2))
        2.900 1.100 1.100 ! no changes - calc dist 3.206
assign ((resid   5 and name HN) or (resid   6 and name HN))
       ((resid   4 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.213
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.383
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   6 and name HD*))
        2.900 1.100 1.100 ! no changes - calc dist 3.431
assign ((resid   20 and name HN))
       ((resid   20 and name H2) or (resid   20 and name H1))
        2.900 1.100 1.100 ! no changes - calc dist 3.431
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   6 and name HE*))
        2.900 1.100 1.100 ! no changes - calc dist 3.452
assign ((resid   6 and name HB*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.610
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   6 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.610
assign ((resid   20 and name HB*))
       ((resid   20 and name H1) or (resid   20 and name H2))
        2.900 1.100 1.100 ! no changes - calc dist 3.625
assign ((resid   20 and name H1) or (resid   20 and name H2))
       ((resid   20 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.670
assign ((resid   12 and name HN))
       ((resid   15 and name HD**) or (resid   16 and name HD**))
        3.900 2.100 2.100 ! incr to 6.0 after round 18. (28 viol avg 0.165)
assign ((resid   7 and name HA*))
       ((resid   5 and name HN) or (resid   6 and name HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (33 viol avg 0.235)
! assign ((resid   12 and name HA))
       ((resid   15 and name HD**) or (resid   16 and name HD**))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   6 and name HD*))
        2.900 1.100 1.100 ! no changes - calc dist 3.737
assign ((resid   20 and name HB*))
       ((resid   20 and name H2) or (resid   20 and name H1))
        2.900 1.100 1.100 ! no changes - calc dist 3.755
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   20 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.774
assign ((resid   6 and name HD*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.793
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   6 and name HE*))
        2.900 1.100 1.100 ! no changes - calc dist 3.793
assign ((resid   15 and name HB*) or (resid   16 and name HB*))
       ((resid   11 and name HB*) or (resid   20 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.793
assign ((resid   5 and name HN) or (resid   6 and name HN))
       ((resid   3 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.813
assign ((resid   5 and name HN) or (resid   6 and name HN))
       ((resid   7 and name HA*))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (33 viol avg 0.235)
assign ((resid   11 and name HB*) or (resid   20 and name HB*))
       ((resid   15 and name HB*) or (resid   16 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.834
assign ((resid   6 and name HE*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.855
assign ((resid   4 and name HA) or (resid   8 and name HA))
       ((resid   7 and name HA*))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (32 viol avg 0.319)
assign ((resid   20 and name HA))
       ((resid   20 and name H1) or (resid   20 and name H2))
        2.900 1.100 1.100 ! no changes - calc dist 3.925
assign ((resid   6 and name HD*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.976
assign ((resid   3 and name HD**) or (resid   4 and name HD**) or (resid   10 and name HG**))
       ((resid   7 and name HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 14. (12 viol avg 0.156)
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   6 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.004
assign ((resid   3 and name HB*) or (resid   4 and name HB*))
       ((resid   5 and name HB*) or (resid   7 and name HA*))
        3.400 1.600 1.600 ! no changes - calc dist 4.062
assign ((resid   6 and name HB*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        3.400 1.600 1.600 ! no changes - calc dist 4.094
assign ((resid   20 and name HA))
       ((resid   20 and name H2) or (resid   20 and name H1))
        3.400 1.600 1.600 ! no changes - calc dist 4.128
assign ((resid   17 and name HA))
       ((resid   20 and name H1) or (resid   20 and name H2))
        3.400 1.600 1.600 ! no changes - calc dist 4.163
assign ((resid   7 and name HA*))
       ((resid   4 and name HA) or (resid   8 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.201
assign ((resid   7 and name HA*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        3.900 2.100 2.100 ! incr to 6.0 after round 16. (11 viol avg 0.146)
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   5 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.283
assign ((resid   6 and name HE*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        3.400 1.600 1.600 ! no changes - calc dist 4.283
assign ((resid   5 and name HB*) or (resid   7 and name HA*))
       ((resid   3 and name HB*) or (resid   4 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.329
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   5 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.329
! assign ((resid   8 and name HB*) or (resid   11 and name HB*))
       ((resid   6 and name HE*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign ((resid   18 and name HA))
       ((resid   20 and name H1) or (resid   20 and name H2))
        3.400 1.600 1.600 ! no changes - calc dist 4.329
assign ((resid   3 and name HB*) or (resid   4 and name HB*))
       ((resid   5 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   8 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid   6 and name HA))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        3.900 2.100 2.100 ! incr to 6.0 after round 9. (33 viol avg 0.278)
assign ((resid   13 and name HA) or (resid   14 and name HA))
       ((resid   16 and name HD**))
        3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid   19 and name HN))
       ((resid   20 and name H1) or (resid   20 and name H2))
        3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid   20 and name H1) or (resid   20 and name H2))
       ((resid   19 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid   8 and name HB*) or (resid   11 and name HB*))
       ((resid   6 and name HD*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 14
assign ((resid   17 and name HA))
       ((resid   20 and name H2) or (resid   20 and name H1))
        3.400 1.600 1.600 ! no changes - calc dist 4.431
assign ((resid   7 and name HA*))
       ((resid   4 and name HA) or (resid   8 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.489
assign ((resid   18 and name HA))
       ((resid   20 and name H2) or (resid   20 and name H1))
        3.400 1.600 1.600 ! no changes - calc dist 4.489
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   19 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.489
assign ((resid   19 and name HA))
       ((resid   20 and name H1) or (resid   20 and name H2))
        3.400 1.600 1.600 ! no changes - calc dist 4.552
assign ((resid   19 and name HN))
       ((resid   20 and name H2) or (resid   20 and name H1))
        3.400 1.600 1.600 ! no changes - calc dist 4.552
assign ((resid   2 and name HN))
       ((resid   5 and name HN) or (resid   6 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.621
! assign ((resid   6 and name HA))
       ((resid   3 and name HB*) or (resid   4 and name HB*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   7 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.699
assign ((resid   6 and name HD*))
       ((resid   3 and name HB*) or (resid   4 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.699
assign ((resid   19 and name HA))
       ((resid   20 and name H2) or (resid   20 and name H1))
        3.400 1.600 1.600 ! no changes - calc dist 4.699
assign ((resid   3 and name HD**) or (resid   4 and name HD**))
       ((resid   7 and name HA*))
        3.900 2.100 2.100 ! incr to 6.0 after round 16. (11 viol avg 0.146)
assign ((resid   15 and name HD**) or (resid   16 and name HD**))
       ((resid   20 and name H2) or (resid   20 and name H1))
        3.900 2.100 2.100 ! incr to 6.0 after round 14. (70 viol avg 0.149)
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   18 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.786
assign ((resid   20 and name H1) or (resid   20 and name H2))
       ((resid   17 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.885
assign ((resid   3 and name HB*) or (resid   4 and name HB*))
       ((resid   6 and name HE*))
        3.900 2.100 2.100 ! incr to 6.0 after round 17. (11 viol avg 0.164)
assign ((resid   17 and name HB*))
       ((resid   20 and name H1) or (resid   20 and name H2))
        3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid   20 and name H1) or (resid   20 and name H2))
       ((resid   19 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   19 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   20 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid   7 and name HA*))
       ((resid   3 and name HD**) or (resid   4 and name HD**))
        3.900 2.100 2.100 ! no changes - calc dist 5.135
assign ((resid   6 and name HB*))
       ((resid   4 and name HA) or (resid   8 and name HA))
        3.900 2.100 2.100 ! no changes - calc dist 5.135
assign ((resid   20 and name H2) or (resid   20 and name H1))
       ((resid   17 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.300
! assign ((resid   10 and name HB))
       ((resid   4 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 2
! assign ((resid   13 and name HA))
       ((resid   7 and name HA*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 16
! assign ((resid   14 and name HA))
       ((resid   8 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 10
! assign ((resid   11 and name HN))
       ((resid   17 and name HB*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 5
! assign ((resid   18 and name HN))
       ((resid   12 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 4
! assign ((resid   12 and name HN))
       ((resid   18 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 4
! assign ((resid   19 and name HN))
       ((resid   13 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA2      ACE   0   0.364  -6.934  -1.554
    2    H2   ACE   0           HA3      ACE   0   1.089  -8.525  -1.327
    3    H3   ACE   0           HA1      ACE   0   1.963  -7.278  -2.215
    4    H    LEU   1           HN       LEU   1   3.228  -8.511  -0.146
    5    HA   LEU   1           HA       LEU   1   2.924  -7.327   2.395
    6    HB2  LEU   1           HB2      LEU   1   5.301  -8.601   1.040
    7    HB3  LEU   1           HB1      LEU   1   5.310  -8.091   2.726
    8    HG   LEU   1           HG       LEU   1   3.273 -10.009   1.557
    9   HD11  LEU   1          HD11      LEU   1   4.580 -11.801   2.599
   10   HD12  LEU   1          HD12      LEU   1   5.768 -10.628   3.168
   11   HD13  LEU   1          HD13      LEU   1   5.579 -10.925   1.440
   12   HD21  LEU   1          HD21      LEU   1   3.244 -10.576   4.161
   13   HD22  LEU   1          HD22      LEU   1   2.302  -9.231   3.532
   14   HD23  LEU   1          HD23      LEU   1   3.854  -8.928   4.310
   15    H    GLY   2           HN       GLY   2   4.906  -6.447  -0.403
   16    HA2  GLY   2           HA2      GLY   2   6.318  -4.325   0.837
   17    HA3  GLY   2           HA1      GLY   2   6.105  -4.551  -0.899
   18    H    LEU   3           HN       LEU   3   3.304  -4.520  -0.989
   19    HA   LEU   3           HA       LEU   3   2.828  -1.749  -1.127
   20    HB2  LEU   3           HB2      LEU   3   0.891  -4.063  -1.211
   21    HB3  LEU   3           HB1      LEU   3   0.474  -2.393  -1.595
   22    HG   LEU   3           HG       LEU   3   2.623  -3.999  -3.010
   23   HD11  LEU   3          HD11      LEU   3   0.963  -3.939  -4.914
   24   HD12  LEU   3          HD12      LEU   3  -0.237  -3.349  -3.764
   25   HD13  LEU   3          HD13      LEU   3   0.478  -4.948  -3.551
   26   HD21  LEU   3          HD21      LEU   3   3.258  -1.788  -3.389
   27   HD22  LEU   3          HD22      LEU   3   1.612  -1.172  -3.235
   28   HD23  LEU   3          HD23      LEU   3   2.111  -2.000  -4.709
   29    H    LEU   4           HN       LEU   4   1.989  -4.204   1.255
   30    HA   LEU   4           HA       LEU   4   0.275  -2.611   2.844
   31    HB2  LEU   4           HB2      LEU   4   1.953  -5.050   3.395
   32    HB3  LEU   4           HB1      LEU   4   1.035  -4.277   4.683
   33    HG   LEU   4           HG       LEU   4  -0.212  -5.140   2.056
   34   HD11  LEU   4          HD11      LEU   4  -0.006  -6.645   4.682
   35   HD12  LEU   4          HD12      LEU   4   0.708  -7.118   3.141
   36   HD13  LEU   4          HD13      LEU   4  -1.045  -7.119   3.337
   37   HD21  LEU   4          HD21      LEU   4  -2.251  -5.200   3.763
   38   HD22  LEU   4          HD22      LEU   4  -1.744  -3.674   3.053
   39   HD23  LEU   4          HD23      LEU   4  -1.246  -4.090   4.691
   40    H    SER   5           HN       SER   5   3.774  -3.122   2.894
   41    HA   SER   5           HA       SER   5   4.174  -1.457   5.219
   42    HB2  SER   5           HB2      SER   5   6.546  -1.828   4.814
   43    HB3  SER   5           HB1      SER   5   5.678  -3.353   4.661
   44    HG   SER   5           HG       SER   5   5.570  -2.425   2.297
   45    H    TYR   6           HN       TYR   6   3.364  -0.754   2.116
   46    HA   TYR   6           HA       TYR   6   5.074   1.323   1.319
   47    HB2  TYR   6           HB2      TYR   6   3.192   0.188   0.025
   48    HB3  TYR   6           HB1      TYR   6   2.090   1.270   0.862
   49    HD1  TYR   6           HD2      TYR   6   2.622   3.827   0.719
   50    HD2  TYR   6           HD1      TYR   6   4.272   0.871  -1.929
   51    HE1  TYR   6           HE2      TYR   6   3.130   5.593  -0.946
   52    HE2  TYR   6           HE1      TYR   6   4.769   2.628  -3.589
   53    HH   TYR   6           HH       TYR   6   3.430   5.520  -3.668
   54    H    GLY   7           HN       GLY   7   2.110   1.379   3.277
   55    HA2  GLY   7           HA2      GLY   7   2.411   2.992   5.266
   56    HA3  GLY   7           HA1      GLY   7   2.628   4.204   4.006
   57    H    ALA   8           HN       ALA   8   0.401   1.498   3.729
   58    HA   ALA   8           HA       ALA   8  -1.791   3.251   3.147
   59    HB1  ALA   8           HB1      ALA   8  -3.114   1.114   3.122
   60    HB2  ALA   8           HB2      ALA   8  -1.645   0.264   3.603
   61    HB3  ALA   8           HB3      ALA   8  -1.710   1.105   2.054
   62    H    GLY   9           HN       GLY   9  -0.412   2.091   6.013
   63    HA2  GLY   9           HA2      GLY   9  -1.751   3.467   7.868
   64    HA3  GLY   9           HA1      GLY   9  -2.873   2.141   7.581
   65    H    VAL  10           HN       VAL  10   0.660   1.987   7.499
   66    HA   VAL  10           HA       VAL  10   0.799  -0.366   9.047
   67    HB   VAL  10           HB       VAL  10   2.902   1.725   8.475
   68   HG11  VAL  10          HG11      VAL  10   3.061  -1.043   9.683
   69   HG12  VAL  10          HG12      VAL  10   3.667   0.469  10.360
   70   HG13  VAL  10          HG13      VAL  10   4.454  -0.247   8.953
   71   HG21  VAL  10          HG21      VAL  10   1.818   0.518   6.524
   72   HG22  VAL  10          HG22      VAL  10   2.451  -0.984   7.198
   73   HG23  VAL  10          HG23      VAL  10   3.560   0.279   6.664
   74    H    ALA  11           HN       ALA  11   1.359   3.044   9.908
   75    HA   ALA  11           HA       ALA  11   1.588   2.318  12.753
   76    HB1  ALA  11           HB1      ALA  11   3.262   3.868  12.044
   77    HB2  ALA  11           HB2      ALA  11   2.094   4.790  12.990
   78    HB3  ALA  11           HB3      ALA  11   2.071   4.881  11.229
   79    H    SER  12           HN       SER  12  -0.755   3.177  10.529
   80    HA   SER  12           HA       SER  12  -2.399   4.768  12.333
   81    HB2  SER  12           HB2      SER  12  -3.826   5.091  10.500
   82    HB3  SER  12           HB1      SER  12  -2.229   5.007   9.762
   83    HG   SER  12           HG       SER  12  -4.371   3.326   9.534
   84    H    LEU  13           HN       LEU  13  -1.737   1.516  12.004
   85    HA   LEU  13           HA       LEU  13  -4.465   0.698  12.812
   86    HB2  LEU  13           HB2      LEU  13  -2.497  -0.466  11.043
   87    HB3  LEU  13           HB1      LEU  13  -2.811  -1.601  12.353
   88    HG   LEU  13           HG       LEU  13  -5.059  -0.277  10.808
   89   HD11  LEU  13          HD11      LEU  13  -3.666  -2.912  10.242
   90   HD12  LEU  13          HD12      LEU  13  -3.660  -1.489   9.200
   91   HD13  LEU  13          HD13      LEU  13  -5.162  -2.371   9.479
   92   HD21  LEU  13          HD21      LEU  13  -4.899  -2.867  12.387
   93   HD22  LEU  13          HD22      LEU  13  -6.351  -2.157  11.684
   94   HD23  LEU  13          HD23      LEU  13  -5.539  -1.352  13.025
   95    HA   PRO  14           HA       PRO  14  -1.484  -1.398  16.088
   96    HB2  PRO  14           HB2      PRO  14   0.710   0.641  16.027
   97    HB3  PRO  14           HB1      PRO  14   0.810  -1.114  16.265
   98    HG2  PRO  14           HG2      PRO  14   1.527   0.016  13.958
   99    HG3  PRO  14           HG1      PRO  14   0.715  -1.561  14.004
  100    HD2  PRO  14           HD2      PRO  14  -0.408   1.113  13.249
  101    HD3  PRO  14           HD1      PRO  14  -0.789  -0.496  12.609
  102    H    LEU  15           HN       LEU  15  -1.094   2.149  15.785
  103    HA   LEU  15           HA       LEU  15  -1.513   2.721  18.523
  104    HB2  LEU  15           HB2      LEU  15  -1.854   4.417  16.043
  105    HB3  LEU  15           HB1      LEU  15  -1.988   5.052  17.680
  106    HG   LEU  15           HG       LEU  15   0.451   3.573  16.647
  107   HD11  LEU  15          HD11      LEU  15  -0.061   6.557  16.853
  108   HD12  LEU  15          HD12      LEU  15   0.120   5.634  15.360
  109   HD13  LEU  15          HD13      LEU  15   1.491   5.817  16.455
  110   HD21  LEU  15          HD21      LEU  15   0.598   3.495  18.985
  111   HD22  LEU  15          HD22      LEU  15  -0.246   5.027  19.198
  112   HD23  LEU  15          HD23      LEU  15   1.426   5.011  18.647
  113    H    LEU  16           HN       LEU  16  -3.687   2.637  15.739
  114    HA   LEU  16           HA       LEU  16  -5.998   3.559  17.077
  115    HB2  LEU  16           HB2      LEU  16  -5.511   1.981  14.564
  116    HB3  LEU  16           HB1      LEU  16  -7.156   2.202  15.148
  117    HG   LEU  16           HG       LEU  16  -6.358   3.933  13.468
  118   HD11  LEU  16          HD11      LEU  16  -7.617   5.628  14.429
  119   HD12  LEU  16          HD12      LEU  16  -6.960   5.368  16.041
  120   HD13  LEU  16          HD13      LEU  16  -8.158   4.254  15.386
  121   HD21  LEU  16          HD21      LEU  16  -4.769   5.067  15.775
  122   HD22  LEU  16          HD22      LEU  16  -4.737   5.553  14.081
  123   HD23  LEU  16          HD23      LEU  16  -4.031   4.014  14.569
  124    H    ASN  17           HN       ASN  17  -4.665   0.313  16.609
  125    HA   ASN  17           HA       ASN  17  -6.845  -1.139  17.642
  126    HB2  ASN  17           HB2      ASN  17  -5.035  -2.222  16.414
  127    HB3  ASN  17           HB1      ASN  17  -3.892  -1.801  17.689
  128   HD21  ASN  17          HD21      ASN  17  -6.191  -4.162  16.672
  129   HD22  ASN  17          HD22      ASN  17  -6.196  -5.087  18.096
  130    H    VAL  18           HN       VAL  18  -4.013   0.285  19.246
  131    HA   VAL  18           HA       VAL  18  -4.530  -0.774  21.821
  132    HB   VAL  18           HB       VAL  18  -3.056   1.722  20.947
  133   HG11  VAL  18          HG11      VAL  18  -3.388   0.435  23.665
  134   HG12  VAL  18          HG12      VAL  18  -3.670   2.117  23.219
  135   HG13  VAL  18          HG13      VAL  18  -2.024   1.487  23.283
  136   HG21  VAL  18          HG21      VAL  18  -2.061  -0.391  20.191
  137   HG22  VAL  18          HG22      VAL  18  -2.145  -1.037  21.829
  138   HG23  VAL  18          HG23      VAL  18  -1.072   0.315  21.467
  139    H    ILE  19           HN       ILE  19  -5.414   2.299  20.281
  140    HA   ILE  19           HA       ILE  19  -6.794   3.390  22.501
  141    HB   ILE  19           HB       ILE  19  -7.061   3.903  19.528
  142   HG12  ILE  19          HG12      ILE  19  -5.776   5.572  21.706
  143   HG13  ILE  19          HG11      ILE  19  -4.877   4.415  20.723
  144   HG21  ILE  19          HG21      ILE  19  -8.115   6.081  20.380
  145   HG22  ILE  19          HG22      ILE  19  -8.310   5.259  21.929
  146   HG23  ILE  19          HG23      ILE  19  -9.120   4.636  20.492
  147   HD11  ILE  19          HD11      ILE  19  -6.409   6.833  19.727
  148   HD12  ILE  19          HD12      ILE  19  -5.688   5.616  18.674
  149   HD13  ILE  19          HD13      ILE  19  -4.660   6.609  19.708
  150    H    ALA  20           HN       ALA  20  -7.839   1.472  19.717
  151    HA   ALA  20           HA       ALA  20 -10.612   1.486  20.380
  152    HB1  ALA  20           HB1      ALA  20 -10.865  -0.141  18.655
  153    HB2  ALA  20           HB2      ALA  20  -9.176  -0.635  18.779
  154    HB3  ALA  20           HB3      ALA  20  -9.587   0.947  18.116
  155    HN1  NH2  21           H2       NH2  21  -9.093  -2.011  21.919
  156    HN2  NH2  21           H1       NH2  21  -8.347  -1.327  20.556
  Start of MODEL    2
    1    H1   ACE   0           HA2      ACE   0   8.568  -4.170  -1.474
    2    H2   ACE   0           HA3      ACE   0   8.639  -5.202  -0.045
    3    H3   ACE   0           HA1      ACE   0   7.429  -3.923  -0.150
    4    H    LEU   1           HN       LEU   1   6.472  -6.334   0.432
    5    HA   LEU   1           HA       LEU   1   5.858  -8.052  -1.719
    6    HB2  LEU   1           HB2      LEU   1   4.456  -7.515   0.905
    7    HB3  LEU   1           HB1      LEU   1   3.956  -8.783  -0.209
    8    HG   LEU   1           HG       LEU   1   6.792  -8.570   0.839
    9   HD11  LEU   1          HD11      LEU   1   5.302  -8.801   2.763
   10   HD12  LEU   1          HD12      LEU   1   6.142 -10.325   2.479
   11   HD13  LEU   1          HD13      LEU   1   4.460 -10.141   1.982
   12   HD21  LEU   1          HD21      LEU   1   5.170 -10.680  -0.607
   13   HD22  LEU   1          HD22      LEU   1   6.587 -11.126   0.339
   14   HD23  LEU   1          HD23      LEU   1   6.755 -10.034  -1.029
   15    H    GLY   2           HN       GLY   2   4.165  -5.252  -0.361
   16    HA2  GLY   2           HA2      GLY   2   3.110  -4.029  -2.453
   17    HA3  GLY   2           HA1      GLY   2   2.067  -5.448  -2.405
   18    H    LEU   3           HN       LEU   3   2.267  -5.580   0.557
   19    HA   LEU   3           HA       LEU   3   0.174  -3.597   1.137
   20    HB2  LEU   3           HB2      LEU   3   1.122  -6.059   2.615
   21    HB3  LEU   3           HB1      LEU   3  -0.136  -4.979   3.211
   22    HG   LEU   3           HG       LEU   3  -0.245  -6.376   0.519
   23   HD11  LEU   3          HD11      LEU   3  -0.242  -7.995   2.392
   24   HD12  LEU   3          HD12      LEU   3  -1.811  -7.942   1.587
   25   HD13  LEU   3          HD13      LEU   3  -1.585  -7.127   3.136
   26   HD21  LEU   3          HD21      LEU   3  -2.793  -5.844   1.022
   27   HD22  LEU   3          HD22      LEU   3  -1.754  -4.584   0.368
   28   HD23  LEU   3          HD23      LEU   3  -2.126  -4.612   2.092
   29    H    LEU   4           HN       LEU   4   3.510  -4.141   1.702
   30    HA   LEU   4           HA       LEU   4   3.791  -2.977   4.257
   31    HB2  LEU   4           HB2      LEU   4   5.693  -3.128   1.913
   32    HB3  LEU   4           HB1      LEU   4   6.155  -2.514   3.498
   33    HG   LEU   4           HG       LEU   4   4.941  -5.256   3.054
   34   HD11  LEU   4          HD11      LEU   4   7.861  -4.488   3.352
   35   HD12  LEU   4          HD12      LEU   4   7.098  -5.072   1.873
   36   HD13  LEU   4          HD13      LEU   4   7.234  -6.132   3.277
   37   HD21  LEU   4          HD21      LEU   4   6.101  -3.784   5.420
   38   HD22  LEU   4          HD22      LEU   4   6.261  -5.538   5.340
   39   HD23  LEU   4          HD23      LEU   4   4.664  -4.801   5.332
   40    H    SER   5           HN       SER   5   3.899  -1.526   1.007
   41    HA   SER   5           HA       SER   5   4.491   1.106   1.864
   42    HB2  SER   5           HB2      SER   5   4.778   0.659  -0.447
   43    HB3  SER   5           HB1      SER   5   3.155  -0.009  -0.601
   44    HG   SER   5           HG       SER   5   3.894   2.448  -1.048
   45    H    TYR   6           HN       TYR   6   1.431  -0.532   1.155
   46    HA   TYR   6           HA       TYR   6  -0.265   1.655   1.751
   47    HB2  TYR   6           HB2      TYR   6  -1.114  -0.164   0.442
   48    HB3  TYR   6           HB1      TYR   6  -0.736  -1.332   1.703
   49    HD1  TYR   6           HD1      TYR   6  -2.679   1.854   1.233
   50    HD2  TYR   6           HD2      TYR   6  -2.458  -1.993   3.140
   51    HE1  TYR   6           HE1      TYR   6  -4.924   2.213   2.227
   52    HE2  TYR   6           HE2      TYR   6  -4.702  -1.631   4.129
   53    HH   TYR   6           HH       TYR   6  -6.143   0.349   4.735
   54    H    GLY   7           HN       GLY   7   0.858  -1.089   3.708
   55    HA2  GLY   7           HA2      GLY   7  -0.455  -0.005   6.095
   56    HA3  GLY   7           HA1      GLY   7   0.334  -1.572   5.955
   57    H    ALA   8           HN       ALA   8   2.101   1.072   4.670
   58    HA   ALA   8           HA       ALA   8   4.310   0.694   6.376
   59    HB1  ALA   8           HB1      ALA   8   5.148   2.826   5.407
   60    HB2  ALA   8           HB2      ALA   8   3.573   3.070   4.654
   61    HB3  ALA   8           HB3      ALA   8   4.576   1.701   4.178
   62    H    GLY   9           HN       GLY   9   2.949   0.741   8.418
   63    HA2  GLY   9           HA2      GLY   9   2.785   1.769  10.485
   64    HA3  GLY   9           HA1      GLY   9   3.437   3.235   9.766
   65    H    VAL  10           HN       VAL  10   1.147   2.582   7.687
   66    HA   VAL  10           HA       VAL  10  -0.636   4.594   8.567
   67    HB   VAL  10           HB       VAL  10  -1.106   2.410   6.541
   68   HG11  VAL  10          HG11      VAL  10  -2.476   5.029   7.145
   69   HG12  VAL  10          HG12      VAL  10  -3.195   3.421   7.033
   70   HG13  VAL  10          HG13      VAL  10  -2.626   4.235   5.576
   71   HG21  VAL  10          HG21      VAL  10  -0.309   4.049   4.896
   72   HG22  VAL  10          HG22      VAL  10   0.944   3.746   6.100
   73   HG23  VAL  10          HG23      VAL  10  -0.022   5.220   6.184
   74    H    ALA  11           HN       ALA  11  -0.897   1.047   8.524
   75    HA   ALA  11           HA       ALA  11  -3.465   1.101   9.888
   76    HB1  ALA  11           HB1      ALA  11  -3.364  -1.326   9.712
   77    HB2  ALA  11           HB2      ALA  11  -1.679  -1.241   9.192
   78    HB3  ALA  11           HB3      ALA  11  -2.956  -0.600   8.156
   79    H    SER  12           HN       SER  12  -0.208   1.202  10.781
   80    HA   SER  12           HA       SER  12  -0.411  -0.296  13.233
   81    HB2  SER  12           HB2      SER  12   1.710   1.733  12.556
   82    HB3  SER  12           HB1      SER  12   1.833   0.344  13.631
   83    HG   SER  12           HG       SER  12   1.791  -1.000  11.892
   84    H    LEU  13           HN       LEU  13  -1.676   2.641  12.345
   85    HA   LEU  13           HA       LEU  13  -1.370   3.784  15.061
   86    HB2  LEU  13           HB2      LEU  13  -1.317   4.951  12.392
   87    HB3  LEU  13           HB1      LEU  13  -2.559   5.731  13.372
   88    HG   LEU  13           HG       LEU  13  -0.771   6.004  15.182
   89   HD11  LEU  13          HD11      LEU  13   0.734   4.242  14.141
   90   HD12  LEU  13          HD12      LEU  13   1.537   5.760  14.545
   91   HD13  LEU  13          HD13      LEU  13   1.098   5.414  12.873
   92   HD21  LEU  13          HD21      LEU  13  -0.327   7.326  12.486
   93   HD22  LEU  13          HD22      LEU  13   0.257   7.942  14.032
   94   HD23  LEU  13          HD23      LEU  13  -1.476   7.856  13.715
   95    HA   PRO  14           HA       PRO  14  -6.166   4.166  14.149
   96    HB2  PRO  14           HB2      PRO  14  -6.446   1.913  12.192
   97    HB3  PRO  14           HB1      PRO  14  -7.305   3.463  12.258
   98    HG2  PRO  14           HG2      PRO  14  -5.402   3.022  10.454
   99    HG3  PRO  14           HG1      PRO  14  -5.592   4.609  11.224
  100    HD2  PRO  14           HD2      PRO  14  -3.524   2.499  11.749
  101    HD3  PRO  14           HD1      PRO  14  -3.380   4.264  11.770
  102    H    LEU  15           HN       LEU  15  -4.839   0.877  13.655
  103    HA   LEU  15           HA       LEU  15  -6.734  -0.467  15.244
  104    HB2  LEU  15           HB2      LEU  15  -3.896  -1.192  14.501
  105    HB3  LEU  15           HB1      LEU  15  -5.006  -2.296  15.306
  106    HG   LEU  15           HG       LEU  15  -5.653  -0.924  12.683
  107   HD11  LEU  15          HD11      LEU  15  -5.010  -3.020  11.577
  108   HD12  LEU  15          HD12      LEU  15  -4.518  -3.702  13.127
  109   HD13  LEU  15          HD13      LEU  15  -3.633  -2.339  12.442
  110   HD21  LEU  15          HD21      LEU  15  -6.914  -3.128  14.324
  111   HD22  LEU  15          HD22      LEU  15  -7.158  -3.078  12.580
  112   HD23  LEU  15          HD23      LEU  15  -7.683  -1.728  13.578
  113    H    LEU  16           HN       LEU  16  -3.532   0.826  16.061
  114    HA   LEU  16           HA       LEU  16  -3.492  -0.142  18.718
  115    HB2  LEU  16           HB2      LEU  16  -2.025   2.034  17.250
  116    HB3  LEU  16           HB1      LEU  16  -1.846   1.883  18.999
  117    HG   LEU  16           HG       LEU  16  -1.161  -0.471  18.734
  118   HD11  LEU  16          HD11      LEU  16  -2.318  -1.166  16.779
  119   HD12  LEU  16          HD12      LEU  16  -0.613  -1.190  16.329
  120   HD13  LEU  16          HD13      LEU  16  -1.643   0.146  15.816
  121   HD21  LEU  16          HD21      LEU  16   0.974   0.053  17.301
  122   HD22  LEU  16          HD22      LEU  16   0.708   0.953  18.793
  123   HD23  LEU  16          HD23      LEU  16   0.325   1.693  17.240
  124    H    ASN  17           HN       ASN  17  -4.703   2.861  17.298
  125    HA   ASN  17           HA       ASN  17  -5.258   4.224  19.700
  126    HB2  ASN  17           HB2      ASN  17  -5.265   5.347  17.527
  127    HB3  ASN  17           HB1      ASN  17  -6.661   4.397  17.022
  128   HD21  ASN  17          HD21      ASN  17  -5.647   6.715  19.588
  129   HD22  ASN  17          HD22      ASN  17  -7.194   7.385  19.794
  130    H    VAL  18           HN       VAL  18  -7.219   1.994  17.752
  131    HA   VAL  18           HA       VAL  18  -9.591   2.217  19.302
  132    HB   VAL  18           HB       VAL  18  -8.572  -0.028  17.544
  133   HG11  VAL  18          HG11      VAL  18 -10.195  -1.029  18.961
  134   HG12  VAL  18          HG12      VAL  18 -11.094  -0.584  17.511
  135   HG13  VAL  18          HG13      VAL  18 -11.206   0.416  18.959
  136   HG21  VAL  18          HG21      VAL  18 -10.013   0.931  15.859
  137   HG22  VAL  18          HG22      VAL  18  -9.009   2.232  16.496
  138   HG23  VAL  18          HG23      VAL  18 -10.686   2.081  17.014
  139    H    ILE  19           HN       ILE  19  -6.876  -0.057  19.354
  140    HA   ILE  19           HA       ILE  19  -7.822  -1.689  21.462
  141    HB   ILE  19           HB       ILE  19  -5.032  -1.127  20.438
  142   HG12  ILE  19          HG12      ILE  19  -6.793  -3.568  20.113
  143   HG13  ILE  19          HG11      ILE  19  -6.769  -2.240  18.951
  144   HG21  ILE  19          HG21      ILE  19  -4.584  -3.385  21.635
  145   HG22  ILE  19          HG22      ILE  19  -6.041  -3.026  22.561
  146   HG23  ILE  19          HG23      ILE  19  -4.660  -1.933  22.633
  147   HD11  ILE  19          HD11      ILE  19  -4.377  -2.572  18.570
  148   HD12  ILE  19          HD12      ILE  19  -5.230  -4.090  18.302
  149   HD13  ILE  19          HD13      ILE  19  -4.333  -3.837  19.798
  150    H    ALA  20           HN       ALA  20  -5.708   1.152  21.392
  151    HA   ALA  20           HA       ALA  20  -5.412   1.161  24.289
  152    HB1  ALA  20           HB1      ALA  20  -3.635   1.885  22.576
  153    HB2  ALA  20           HB2      ALA  20  -3.878   2.924  23.980
  154    HB3  ALA  20           HB3      ALA  20  -4.572   3.371  22.420
  155    HN1  NH2  21           H2       NH2  21  -8.404   3.578  23.081
  156    HN2  NH2  21           H1       NH2  21  -7.673   2.468  22.028
  Start of MODEL    3
    1    H1   ACE   0           HA2      ACE   0   7.273  -6.728   1.420
    2    H2   ACE   0           HA3      ACE   0   8.077  -7.762   0.238
    3    H3   ACE   0           HA1      ACE   0   7.590  -8.421   1.798
    4    H    LEU   1           HN       LEU   1   5.218  -8.323   2.270
    5    HA   LEU   1           HA       LEU   1   3.738  -9.612   0.241
    6    HB2  LEU   1           HB2      LEU   1   2.885  -8.283   2.819
    7    HB3  LEU   1           HB1      LEU   1   1.786  -9.202   1.793
    8    HG   LEU   1           HG       LEU   1   4.372 -10.332   2.903
    9   HD11  LEU   1          HD11      LEU   1   1.548 -10.642   3.966
   10   HD12  LEU   1          HD12      LEU   1   2.824  -9.692   4.729
   11   HD13  LEU   1          HD13      LEU   1   2.984 -11.444   4.600
   12   HD21  LEU   1          HD21      LEU   1   2.914 -12.498   2.468
   13   HD22  LEU   1          HD22      LEU   1   3.756 -11.734   1.126
   14   HD23  LEU   1          HD23      LEU   1   2.030 -11.451   1.358
   15    H    GLY   2           HN       GLY   2   3.804  -6.278   1.402
   16    HA2  GLY   2           HA2      GLY   2   3.497  -4.539  -0.358
   17    HA3  GLY   2           HA1      GLY   2   2.096  -5.466  -0.891
   18    H    LEU   3           HN       LEU   3   1.816  -6.026   2.145
   19    HA   LEU   3           HA       LEU   3  -0.280  -4.191   2.642
   20    HB2  LEU   3           HB2      LEU   3   1.242  -5.838   4.672
   21    HB3  LEU   3           HB1      LEU   3  -0.399  -5.207   4.828
   22    HG   LEU   3           HG       LEU   3   0.505  -7.205   2.730
   23   HD11  LEU   3          HD11      LEU   3  -0.766  -8.843   4.025
   24   HD12  LEU   3          HD12      LEU   3  -1.226  -7.604   5.191
   25   HD13  LEU   3          HD13      LEU   3   0.457  -8.106   5.060
   26   HD21  LEU   3          HD21      LEU   3  -1.331  -6.071   1.784
   27   HD22  LEU   3          HD22      LEU   3  -2.117  -5.832   3.346
   28   HD23  LEU   3          HD23      LEU   3  -2.107  -7.429   2.597
   29    H    LEU   4           HN       LEU   4   3.105  -4.282   3.618
   30    HA   LEU   4           HA       LEU   4   3.035  -2.199   5.508
   31    HB2  LEU   4           HB2      LEU   4   5.252  -3.214   3.727
   32    HB3  LEU   4           HB1      LEU   4   5.500  -1.994   4.973
   33    HG   LEU   4           HG       LEU   4   4.300  -4.731   5.499
   34   HD11  LEU   4          HD11      LEU   4   6.656  -4.861   4.701
   35   HD12  LEU   4          HD12      LEU   4   6.489  -5.362   6.383
   36   HD13  LEU   4          HD13      LEU   4   7.132  -3.766   5.999
   37   HD21  LEU   4          HD21      LEU   4   5.014  -2.352   7.203
   38   HD22  LEU   4          HD22      LEU   4   5.233  -3.961   7.888
   39   HD23  LEU   4          HD23      LEU   4   3.644  -3.452   7.333
   40    H    SER   5           HN       SER   5   3.453  -2.147   1.988
   41    HA   SER   5           HA       SER   5   4.205   0.537   1.711
   42    HB2  SER   5           HB2      SER   5   2.507  -1.156  -0.137
   43    HB3  SER   5           HB1      SER   5   3.274   0.367  -0.575
   44    HG   SER   5           HG       SER   5   4.347  -1.917  -0.838
   45    H    TYR   6           HN       TYR   6   0.966  -0.940   1.837
   46    HA   TYR   6           HA       TYR   6  -0.436   1.535   1.560
   47    HB2  TYR   6           HB2      TYR   6  -1.329  -1.137   2.671
   48    HB3  TYR   6           HB1      TYR   6  -2.402   0.226   2.347
   49    HD1  TYR   6           HD1      TYR   6  -2.369   1.218  -0.049
   50    HD2  TYR   6           HD2      TYR   6  -0.802  -2.656   0.945
   51    HE1  TYR   6           HE1      TYR   6  -2.524   0.542  -2.431
   52    HE2  TYR   6           HE2      TYR   6  -0.954  -3.330  -1.437
   53    HH   TYR   6           HH       TYR   6  -1.534  -1.075  -3.949
   54    H    GLY   7           HN       GLY   7   0.618  -0.434   4.294
   55    HA2  GLY   7           HA2      GLY   7  -0.355   1.605   6.203
   56    HA3  GLY   7           HA1      GLY   7   0.076  -0.055   6.599
   57    H    ALA   8           HN       ALA   8   1.976   2.057   4.543
   58    HA   ALA   8           HA       ALA   8   4.408   1.524   5.823
   59    HB1  ALA   8           HB1      ALA   8   5.232   3.547   4.577
   60    HB2  ALA   8           HB2      ALA   8   3.570   3.834   4.062
   61    HB3  ALA   8           HB3      ALA   8   4.405   2.359   3.570
   62    H    GLY   9           HN       GLY   9   1.967   3.977   6.454
   63    HA2  GLY   9           HA2      GLY   9   3.268   4.614   8.985
   64    HA3  GLY   9           HA1      GLY   9   3.172   5.947   7.837
   65    H    VAL  10           HN       VAL  10   0.637   5.043   6.708
   66    HA   VAL  10           HA       VAL  10  -1.136   6.461   8.366
   67    HB   VAL  10           HB       VAL  10  -2.881   5.609   6.847
   68   HG11  VAL  10          HG11      VAL  10  -1.309   7.508   6.247
   69   HG12  VAL  10          HG12      VAL  10  -2.054   6.693   4.872
   70   HG13  VAL  10          HG13      VAL  10  -0.383   6.336   5.308
   71   HG21  VAL  10          HG21      VAL  10  -2.132   3.336   6.499
   72   HG22  VAL  10          HG22      VAL  10  -0.609   3.898   5.811
   73   HG23  VAL  10          HG23      VAL  10  -2.117   4.151   4.937
   74    H    ALA  11           HN       ALA  11  -0.556   2.990   7.948
   75    HA   ALA  11           HA       ALA  11  -2.673   2.221   9.749
   76    HB1  ALA  11           HB1      ALA  11  -1.800   0.792   7.863
   77    HB2  ALA  11           HB2      ALA  11  -1.889  -0.022   9.425
   78    HB3  ALA  11           HB3      ALA  11  -0.336   0.551   8.817
   79    H    SER  12           HN       SER  12  -0.442   4.069  10.637
   80    HA   SER  12           HA       SER  12   0.684   2.474  12.864
   81    HB2  SER  12           HB2      SER  12   1.518   5.248  12.025
   82    HB3  SER  12           HB1      SER  12   2.394   4.110  13.041
   83    HG   SER  12           HG       SER  12   3.300   3.819  11.102
   84    H    LEU  13           HN       LEU  13  -2.074   3.396  12.842
   85    HA   LEU  13           HA       LEU  13  -2.102   4.597  15.432
   86    HB2  LEU  13           HB2      LEU  13  -1.991   6.442  13.336
   87    HB3  LEU  13           HB1      LEU  13  -3.707   6.376  13.716
   88    HG   LEU  13           HG       LEU  13  -2.985   6.635  16.191
   89   HD11  LEU  13          HD11      LEU  13  -0.623   6.275  16.067
   90   HD12  LEU  13          HD12      LEU  13  -0.834   7.998  16.360
   91   HD13  LEU  13          HD13      LEU  13  -0.443   7.423  14.742
   92   HD21  LEU  13          HD21      LEU  13  -2.791   9.128  15.895
   93   HD22  LEU  13          HD22      LEU  13  -4.133   8.411  15.000
   94   HD23  LEU  13          HD23      LEU  13  -2.651   8.862  14.158
   95    HA   PRO  14           HA       PRO  14  -6.644   3.730  13.881
   96    HB2  PRO  14           HB2      PRO  14  -6.036   1.948  11.554
   97    HB3  PRO  14           HB1      PRO  14  -7.304   3.179  11.729
   98    HG2  PRO  14           HG2      PRO  14  -5.186   3.639  10.205
   99    HG3  PRO  14           HG1      PRO  14  -5.859   4.924  11.230
  100    HD2  PRO  14           HD2      PRO  14  -3.433   3.215  11.707
  101    HD3  PRO  14           HD1      PRO  14  -3.638   4.957  11.970
  102    H    LEU  15           HN       LEU  15  -4.312   1.167  13.028
  103    HA   LEU  15           HA       LEU  15  -5.753  -0.956  14.229
  104    HB2  LEU  15           HB2      LEU  15  -2.825  -0.642  13.540
  105    HB3  LEU  15           HB1      LEU  15  -3.530  -2.147  14.120
  106    HG   LEU  15           HG       LEU  15  -4.564  -0.668  11.685
  107   HD11  LEU  15          HD11      LEU  15  -2.205  -1.338  11.356
  108   HD12  LEU  15          HD12      LEU  15  -3.292  -2.281  10.337
  109   HD13  LEU  15          HD13      LEU  15  -2.620  -2.993  11.804
  110   HD21  LEU  15          HD21      LEU  15  -6.247  -2.173  12.356
  111   HD22  LEU  15          HD22      LEU  15  -5.089  -3.363  12.946
  112   HD23  LEU  15          HD23      LEU  15  -5.323  -3.143  11.214
  113    H    LEU  16           HN       LEU  16  -3.162   1.151  15.375
  114    HA   LEU  16           HA       LEU  16  -2.725  -0.112  17.861
  115    HB2  LEU  16           HB2      LEU  16  -2.382   2.825  17.227
  116    HB3  LEU  16           HB1      LEU  16  -1.554   1.903  18.482
  117    HG   LEU  16           HG       LEU  16  -1.309   1.434  15.494
  118   HD11  LEU  16          HD11      LEU  16   0.760   2.452  17.458
  119   HD12  LEU  16          HD12      LEU  16  -0.209   3.509  16.430
  120   HD13  LEU  16          HD13      LEU  16   0.909   2.354  15.703
  121   HD21  LEU  16          HD21      LEU  16  -0.213   0.007  17.922
  122   HD22  LEU  16          HD22      LEU  16   0.672  -0.016  16.396
  123   HD23  LEU  16          HD23      LEU  16  -0.957  -0.680  16.476
  124    H    ASN  17           HN       ASN  17  -4.924   2.478  16.867
  125    HA   ASN  17           HA       ASN  17  -5.863   3.165  19.435
  126    HB2  ASN  17           HB2      ASN  17  -6.246   4.552  17.434
  127    HB3  ASN  17           HB1      ASN  17  -7.315   3.312  16.782
  128   HD21  ASN  17          HD21      ASN  17  -8.086   6.080  17.490
  129   HD22  ASN  17          HD22      ASN  17  -9.270   5.949  18.701
  130    H    VAL  18           HN       VAL  18  -6.971   0.760  17.075
  131    HA   VAL  18           HA       VAL  18  -9.294  -0.051  18.474
  132    HB   VAL  18           HB       VAL  18  -7.524  -1.557  16.533
  133   HG11  VAL  18          HG11      VAL  18 -10.183  -2.234  17.799
  134   HG12  VAL  18          HG12      VAL  18  -8.733  -3.233  17.700
  135   HG13  VAL  18          HG13      VAL  18  -9.691  -2.923  16.253
  136   HG21  VAL  18          HG21      VAL  18  -9.066  -0.859  14.860
  137   HG22  VAL  18          HG22      VAL  18  -8.763   0.588  15.824
  138   HG23  VAL  18          HG23      VAL  18 -10.250  -0.333  16.059
  139    H    ILE  19           HN       ILE  19  -5.968  -1.299  18.453
  140    HA   ILE  19           HA       ILE  19  -6.394  -3.403  20.301
  141    HB   ILE  19           HB       ILE  19  -3.902  -1.842  19.575
  142   HG12  ILE  19          HG12      ILE  19  -4.741  -4.654  18.821
  143   HG13  ILE  19          HG11      ILE  19  -5.095  -3.247  17.820
  144   HG21  ILE  19          HG21      ILE  19  -3.417  -2.778  21.701
  145   HG22  ILE  19          HG22      ILE  19  -2.780  -3.953  20.551
  146   HG23  ILE  19          HG23      ILE  19  -4.324  -4.251  21.353
  147   HD11  ILE  19          HD11      ILE  19  -2.289  -3.868  18.751
  148   HD12  ILE  19          HD12      ILE  19  -2.794  -2.797  17.442
  149   HD13  ILE  19          HD13      ILE  19  -2.948  -4.544  17.260
  150    H    ALA  20           HN       ALA  20  -5.333  -0.045  20.665
  151    HA   ALA  20           HA       ALA  20  -5.159  -0.267  23.562
  152    HB1  ALA  20           HB1      ALA  20  -3.622   1.179  22.192
  153    HB2  ALA  20           HB2      ALA  20  -4.433   2.026  23.509
  154    HB3  ALA  20           HB3      ALA  20  -5.003   2.222  21.851
  155    HN1  NH2  21           H2       NH2  21  -8.798   0.956  22.459
  156    HN2  NH2  21           H1       NH2  21  -7.732   0.147  21.414
  Start of MODEL    4
    1    H1   ACE   0           HA2      ACE   0   5.020  -7.839   4.771
    2    H2   ACE   0           HA3      ACE   0   3.637  -8.760   5.364
    3    H3   ACE   0           HA1      ACE   0   3.450  -7.057   4.949
    4    H    LEU   1           HN       LEU   1   1.682  -7.864   3.570
    5    HA   LEU   1           HA       LEU   1   2.098  -9.571   1.361
    6    HB2  LEU   1           HB2      LEU   1   0.080  -7.376   1.855
    7    HB3  LEU   1           HB1      LEU   1   0.021  -8.446   0.458
    8    HG   LEU   1           HG       LEU   1   0.074  -9.447   3.320
    9   HD11  LEU   1          HD11      LEU   1  -2.261  -8.832   1.494
   10   HD12  LEU   1          HD12      LEU   1  -1.947  -8.170   3.099
   11   HD13  LEU   1          HD13      LEU   1  -2.397  -9.866   2.915
   12   HD21  LEU   1          HD21      LEU   1  -1.071 -11.443   2.016
   13   HD22  LEU   1          HD22      LEU   1   0.678 -11.269   1.970
   14   HD23  LEU   1          HD23      LEU   1  -0.295 -10.722   0.607
   15    H    GLY   2           HN       GLY   2   2.332  -6.058   1.729
   16    HA2  GLY   2           HA2      GLY   2   4.377  -5.492   0.064
   17    HA3  GLY   2           HA1      GLY   2   3.034  -5.663  -1.063
   18    H    LEU   3           HN       LEU   3   1.034  -4.629   0.770
   19    HA   LEU   3           HA       LEU   3   1.556  -1.775   0.394
   20    HB2  LEU   3           HB2      LEU   3  -0.918  -3.275   1.279
   21    HB3  LEU   3           HB1      LEU   3  -0.834  -1.531   1.040
   22    HG   LEU   3           HG       LEU   3  -0.207  -3.575  -1.114
   23   HD11  LEU   3          HD11      LEU   3  -2.396  -3.145  -2.015
   24   HD12  LEU   3          HD12      LEU   3  -2.692  -1.864  -0.839
   25   HD13  LEU   3          HD13      LEU   3  -2.612  -3.545  -0.312
   26   HD21  LEU   3          HD21      LEU   3  -0.721  -1.372  -2.504
   27   HD22  LEU   3          HD22      LEU   3   0.873  -1.615  -1.800
   28   HD23  LEU   3          HD23      LEU   3  -0.291  -0.561  -0.998
   29    H    LEU   4           HN       LEU   4   1.935  -4.058   2.846
   30    HA   LEU   4           HA       LEU   4   1.124  -2.609   5.125
   31    HB2  LEU   4           HB2      LEU   4   1.694  -5.005   5.185
   32    HB3  LEU   4           HB1      LEU   4   3.374  -4.619   4.835
   33    HG   LEU   4           HG       LEU   4   3.469  -3.285   6.953
   34   HD11  LEU   4          HD11      LEU   4   0.609  -4.231   7.114
   35   HD12  LEU   4          HD12      LEU   4   1.265  -2.626   7.434
   36   HD13  LEU   4          HD13      LEU   4   1.524  -3.927   8.591
   37   HD21  LEU   4          HD21      LEU   4   3.470  -5.247   8.455
   38   HD22  LEU   4          HD22      LEU   4   4.209  -5.632   6.900
   39   HD23  LEU   4          HD23      LEU   4   2.566  -6.166   7.250
   40    H    SER   5           HN       SER   5   4.274  -2.788   3.464
   41    HA   SER   5           HA       SER   5   5.623  -0.988   5.186
   42    HB2  SER   5           HB2      SER   5   6.151  -1.615   2.272
   43    HB3  SER   5           HB1      SER   5   7.271  -0.808   3.366
   44    HG   SER   5           HG       SER   5   7.714  -2.664   4.272
   45    H    TYR   6           HN       TYR   6   3.885  -0.557   2.139
   46    HA   TYR   6           HA       TYR   6   4.363   2.201   1.806
   47    HB2  TYR   6           HB2      TYR   6   3.550   0.826  -0.018
   48    HB3  TYR   6           HB1      TYR   6   2.070   0.468   0.869
   49    HD1  TYR   6           HD1      TYR   6   4.079   3.392  -0.354
   50    HD2  TYR   6           HD2      TYR   6   0.180   1.807   0.509
   51    HE1  TYR   6           HE1      TYR   6   3.038   5.445  -1.276
   52    HE2  TYR   6           HE2      TYR   6  -0.858   3.855  -0.414
   53    HH   TYR   6           HH       TYR   6  -0.470   5.724  -1.634
   54    H    GLY   7           HN       GLY   7   1.666   0.454   3.325
   55    HA2  GLY   7           HA2      GLY   7   0.426   2.942   4.215
   56    HA3  GLY   7           HA1      GLY   7  -0.199   1.313   4.452
   57    H    ALA   8           HN       ALA   8   3.115   1.883   5.229
   58    HA   ALA   8           HA       ALA   8   2.741   1.113   7.951
   59    HB1  ALA   8           HB1      ALA   8   4.813   0.652   6.654
   60    HB2  ALA   8           HB2      ALA   8   5.134   1.482   8.178
   61    HB3  ALA   8           HB3      ALA   8   5.168   2.380   6.660
   62    H    GLY   9           HN       GLY   9   1.172   3.425   7.315
   63    HA2  GLY   9           HA2      GLY   9   2.012   5.147   9.489
   64    HA3  GLY   9           HA1      GLY   9   2.041   5.917   7.906
   65    H    VAL  10           HN       VAL  10  -0.125   5.103   6.620
   66    HA   VAL  10           HA       VAL  10  -2.239   6.537   7.816
   67    HB   VAL  10           HB       VAL  10  -2.258   4.537   5.549
   68   HG11  VAL  10          HG11      VAL  10  -4.403   5.790   4.953
   69   HG12  VAL  10          HG12      VAL  10  -4.371   6.431   6.595
   70   HG13  VAL  10          HG13      VAL  10  -4.510   4.692   6.329
   71   HG21  VAL  10          HG21      VAL  10  -0.857   6.505   5.131
   72   HG22  VAL  10          HG22      VAL  10  -2.172   7.570   5.633
   73   HG23  VAL  10          HG23      VAL  10  -2.329   6.606   4.165
   74    H    ALA  11           HN       ALA  11  -1.696   3.036   7.454
   75    HA   ALA  11           HA       ALA  11  -4.085   2.386   8.971
   76    HB1  ALA  11           HB1      ALA  11  -3.120   1.008   7.049
   77    HB2  ALA  11           HB2      ALA  11  -3.561   0.117   8.507
   78    HB3  ALA  11           HB3      ALA  11  -1.869   0.496   8.183
   79    H    SER  12           HN       SER  12  -0.863   3.182   9.677
   80    HA   SER  12           HA       SER  12  -0.450   1.580  11.994
   81    HB2  SER  12           HB2      SER  12   1.396   2.690  10.777
   82    HB3  SER  12           HB1      SER  12   0.769   4.259  11.274
   83    HG   SER  12           HG       SER  12   1.199   3.744  13.386
   84    H    LEU  13           HN       LEU  13  -2.543   4.140  11.382
   85    HA   LEU  13           HA       LEU  13  -2.541   5.169  14.120
   86    HB2  LEU  13           HB2      LEU  13  -3.586   6.046  11.488
   87    HB3  LEU  13           HB1      LEU  13  -4.635   6.433  12.851
   88    HG   LEU  13           HG       LEU  13  -2.664   7.487  13.993
   89   HD11  LEU  13          HD11      LEU  13  -1.335   7.133  11.289
   90   HD12  LEU  13          HD12      LEU  13  -0.943   6.173  12.715
   91   HD13  LEU  13          HD13      LEU  13  -0.639   7.910  12.710
   92   HD21  LEU  13          HD21      LEU  13  -3.421   8.513  11.241
   93   HD22  LEU  13          HD22      LEU  13  -2.584   9.473  12.461
   94   HD23  LEU  13          HD23      LEU  13  -4.222   8.895  12.765
   95    HA   PRO  14           HA       PRO  14  -7.079   3.532  14.031
   96    HB2  PRO  14           HB2      PRO  14  -7.722   1.803  11.951
   97    HB3  PRO  14           HB1      PRO  14  -8.060   3.544  11.951
   98    HG2  PRO  14           HG2      PRO  14  -5.777   2.066  10.711
   99    HG3  PRO  14           HG1      PRO  14  -6.756   3.389  10.047
  100    HD2  PRO  14           HD2      PRO  14  -4.313   3.861  11.052
  101    HD3  PRO  14           HD1      PRO  14  -5.640   5.021  11.300
  102    H    LEU  15           HN       LEU  15  -4.761   1.240  12.556
  103    HA   LEU  15           HA       LEU  15  -5.700  -1.061  13.888
  104    HB2  LEU  15           HB2      LEU  15  -2.969  -0.369  12.796
  105    HB3  LEU  15           HB1      LEU  15  -3.393  -1.964  13.409
  106    HG   LEU  15           HG       LEU  15  -4.895  -0.544  11.188
  107   HD11  LEU  15          HD11      LEU  15  -2.516  -1.100  10.611
  108   HD12  LEU  15          HD12      LEU  15  -3.699  -1.966   9.633
  109   HD13  LEU  15          HD13      LEU  15  -2.875  -2.793  10.956
  110   HD21  LEU  15          HD21      LEU  15  -6.400  -2.145  11.975
  111   HD22  LEU  15          HD22      LEU  15  -5.128  -3.228  12.538
  112   HD23  LEU  15          HD23      LEU  15  -5.501  -3.120  10.819
  113    H    LEU  16           HN       LEU  16  -3.184   1.277  14.735
  114    HA   LEU  16           HA       LEU  16  -2.345  -0.010  17.116
  115    HB2  LEU  16           HB2      LEU  16  -2.080   2.771  16.005
  116    HB3  LEU  16           HB1      LEU  16  -1.576   2.446  17.659
  117    HG   LEU  16           HG       LEU  16   0.242   2.249  15.879
  118   HD11  LEU  16          HD11      LEU  16   0.142   1.047  18.219
  119   HD12  LEU  16          HD12      LEU  16   1.363   0.570  17.044
  120   HD13  LEU  16          HD13      LEU  16  -0.083  -0.411  17.253
  121   HD21  LEU  16          HD21      LEU  16   0.270   0.407  14.390
  122   HD22  LEU  16          HD22      LEU  16  -1.375   1.024  14.282
  123   HD23  LEU  16          HD23      LEU  16  -1.035  -0.414  15.242
  124    H    ASN  17           HN       ASN  17  -4.803   2.425  16.424
  125    HA   ASN  17           HA       ASN  17  -5.475   3.079  19.077
  126    HB2  ASN  17           HB2      ASN  17  -7.010   3.167  16.481
  127    HB3  ASN  17           HB1      ASN  17  -7.736   3.679  18.003
  128   HD21  ASN  17          HD21      ASN  17  -7.301   5.545  15.882
  129   HD22  ASN  17          HD22      ASN  17  -6.106   6.645  16.375
  130    H    VAL  18           HN       VAL  18  -6.665   0.527  16.916
  131    HA   VAL  18           HA       VAL  18  -8.732  -0.413  18.608
  132    HB   VAL  18           HB       VAL  18  -7.113  -1.789  16.451
  133   HG11  VAL  18          HG11      VAL  18  -9.445  -2.768  18.112
  134   HG12  VAL  18          HG12      VAL  18  -7.897  -3.567  17.837
  135   HG13  VAL  18          HG13      VAL  18  -9.071  -3.445  16.526
  136   HG21  VAL  18          HG21      VAL  18  -9.980  -0.799  16.509
  137   HG22  VAL  18          HG22      VAL  18  -9.115  -1.443  15.113
  138   HG23  VAL  18          HG23      VAL  18  -8.636   0.103  15.813
  139    H    ILE  19           HN       ILE  19  -5.335  -1.385  18.226
  140    HA   ILE  19           HA       ILE  19  -5.377  -3.464  20.147
  141    HB   ILE  19           HB       ILE  19  -3.116  -1.721  19.135
  142   HG12  ILE  19          HG12      ILE  19  -3.801  -4.610  18.529
  143   HG13  ILE  19          HG11      ILE  19  -4.353  -3.260  17.536
  144   HG21  ILE  19          HG21      ILE  19  -3.143  -4.122  20.973
  145   HG22  ILE  19          HG22      ILE  19  -2.361  -2.563  21.231
  146   HG23  ILE  19          HG23      ILE  19  -1.717  -3.685  20.033
  147   HD11  ILE  19          HD11      ILE  19  -2.071  -2.608  17.046
  148   HD12  ILE  19          HD12      ILE  19  -2.234  -4.330  16.699
  149   HD13  ILE  19          HD13      ILE  19  -1.442  -3.799  18.183
  150    H    ALA  20           HN       ALA  20  -4.590  -0.018  20.341
  151    HA   ALA  20           HA       ALA  20  -3.752   0.068  23.017
  152    HB1  ALA  20           HB1      ALA  20  -5.230   2.209  21.470
  153    HB2  ALA  20           HB2      ALA  20  -3.488   1.942  21.424
  154    HB3  ALA  20           HB3      ALA  20  -4.263   2.455  22.923
  155    HN1  NH2  21           H2       NH2  21  -7.846   0.387  23.207
  156    HN2  NH2  21           H1       NH2  21  -7.068   0.707  21.734
  Start of MODEL    5
    1    H1   ACE   0           HA2      ACE   0   3.782  -8.348   0.370
    2    H2   ACE   0           HA3      ACE   0   2.405  -9.380   0.760
    3    H3   ACE   0           HA1      ACE   0   2.451  -7.715   1.340
    4    H    LEU   1           HN       LEU   1   0.470  -7.204   0.323
    5    HA   LEU   1           HA       LEU   1  -0.116  -7.655  -2.404
    6    HB2  LEU   1           HB2      LEU   1  -1.113  -5.562  -0.462
    7    HB3  LEU   1           HB1      LEU   1  -1.783  -5.790  -2.073
    8    HG   LEU   1           HG       LEU   1  -1.601  -8.022  -0.029
    9   HD11  LEU   1          HD11      LEU   1  -3.007  -6.141   0.801
   10   HD12  LEU   1          HD12      LEU   1  -3.956  -7.591   0.474
   11   HD13  LEU   1          HD13      LEU   1  -3.978  -6.248  -0.667
   12   HD21  LEU   1          HD21      LEU   1  -1.940  -9.028  -2.131
   13   HD22  LEU   1          HD22      LEU   1  -2.905  -7.682  -2.735
   14   HD23  LEU   1          HD23      LEU   1  -3.592  -8.806  -1.566
   15    H    GLY   2           HN       GLY   2   1.363  -4.927  -0.707
   16    HA2  GLY   2           HA2      GLY   2   3.249  -4.013  -2.288
   17    HA3  GLY   2           HA1      GLY   2   1.851  -3.514  -3.240
   18    H    LEU   3           HN       LEU   3   0.294  -3.160  -0.705
   19    HA   LEU   3           HA       LEU   3   1.172  -0.417  -0.128
   20    HB2  LEU   3           HB2      LEU   3  -1.367  -1.893   0.616
   21    HB3  LEU   3           HB1      LEU   3  -1.050  -0.183   0.910
   22    HG   LEU   3           HG       LEU   3  -1.071  -1.489  -1.831
   23   HD11  LEU   3          HD11      LEU   3  -3.316  -1.496  -0.943
   24   HD12  LEU   3          HD12      LEU   3  -3.205  -0.165  -2.095
   25   HD13  LEU   3          HD13      LEU   3  -3.147   0.161  -0.362
   26   HD21  LEU   3          HD21      LEU   3  -1.329   1.082  -2.407
   27   HD22  LEU   3          HD22      LEU   3   0.268   0.418  -2.084
   28   HD23  LEU   3          HD23      LEU   3  -0.583   1.315  -0.826
   29    H    LEU   4           HN       LEU   4   1.932  -3.328   1.031
   30    HA   LEU   4           HA       LEU   4   1.456  -3.207   3.798
   31    HB2  LEU   4           HB2      LEU   4   2.158  -5.263   2.675
   32    HB3  LEU   4           HB1      LEU   4   3.711  -4.536   2.275
   33    HG   LEU   4           HG       LEU   4   4.267  -4.350   4.664
   34   HD11  LEU   4          HD11      LEU   4   1.438  -5.343   4.985
   35   HD12  LEU   4          HD12      LEU   4   2.249  -4.014   5.815
   36   HD13  LEU   4          HD13      LEU   4   2.640  -5.679   6.233
   37   HD21  LEU   4          HD21      LEU   4   4.184  -6.873   5.189
   38   HD22  LEU   4          HD22      LEU   4   4.989  -6.394   3.694
   39   HD23  LEU   4          HD23      LEU   4   3.351  -7.045   3.643
   40    H    SER   5           HN       SER   5   4.170  -2.012   1.838
   41    HA   SER   5           HA       SER   5   5.853  -1.228   3.939
   42    HB2  SER   5           HB2      SER   5   6.780  -1.234   1.762
   43    HB3  SER   5           HB1      SER   5   5.494  -0.211   1.125
   44    HG   SER   5           HG       SER   5   6.356   1.514   2.142
   45    H    TYR   6           HN       TYR   6   3.334   0.608   2.218
   46    HA   TYR   6           HA       TYR   6   3.681   3.023   3.655
   47    HB2  TYR   6           HB2      TYR   6   1.333   1.883   2.134
   48    HB3  TYR   6           HB1      TYR   6   1.314   3.490   2.863
   49    HD1  TYR   6           HD1      TYR   6   2.964   5.218   2.122
   50    HD2  TYR   6           HD2      TYR   6   2.587   1.429   0.137
   51    HE1  TYR   6           HE1      TYR   6   4.196   6.119   0.166
   52    HE2  TYR   6           HE2      TYR   6   3.819   2.327  -1.816
   53    HH   TYR   6           HH       TYR   6   5.373   5.463  -1.726
   54    H    GLY   7           HN       GLY   7   1.551   0.234   4.148
   55    HA2  GLY   7           HA2      GLY   7   0.472   1.379   6.621
   56    HA3  GLY   7           HA1      GLY   7  -0.050  -0.109   5.840
   57    H    ALA   8           HN       ALA   8   3.347   0.438   6.282
   58    HA   ALA   8           HA       ALA   8   3.594  -1.936   7.882
   59    HB1  ALA   8           HB1      ALA   8   5.722   0.143   7.370
   60    HB2  ALA   8           HB2      ALA   8   5.299  -1.113   6.207
   61    HB3  ALA   8           HB3      ALA   8   5.950  -1.555   7.783
   62    H    GLY   9           HN       GLY   9   1.934  -0.524   9.371
   63    HA2  GLY   9           HA2      GLY   9   1.698   0.032  11.605
   64    HA3  GLY   9           HA1      GLY   9   3.440  -0.077  11.780
   65    H    VAL  10           HN       VAL  10   2.426   1.867   9.202
   66    HA   VAL  10           HA       VAL  10   3.632   4.184  10.260
   67    HB   VAL  10           HB       VAL  10   1.813   3.800   7.879
   68   HG11  VAL  10          HG11      VAL  10   2.872   6.023   7.167
   69   HG12  VAL  10          HG12      VAL  10   3.343   6.219   8.856
   70   HG13  VAL  10          HG13      VAL  10   1.637   6.114   8.424
   71   HG21  VAL  10          HG21      VAL  10   3.911   2.622   7.654
   72   HG22  VAL  10          HG22      VAL  10   4.815   4.015   8.245
   73   HG23  VAL  10          HG23      VAL  10   4.017   4.085   6.675
   74    H    ALA  11           HN       ALA  11   0.181   3.353   9.862
   75    HA   ALA  11           HA       ALA  11  -0.547   4.958  12.114
   76    HB1  ALA  11           HB1      ALA  11  -1.494   6.050   9.468
   77    HB2  ALA  11           HB2      ALA  11  -0.076   6.679  10.307
   78    HB3  ALA  11           HB3      ALA  11  -1.663   6.771  11.070
   79    H    SER  12           HN       SER  12  -1.429   3.017   9.363
   80    HA   SER  12           HA       SER  12  -4.227   2.906   9.869
   81    HB2  SER  12           HB2      SER  12  -2.584   0.769   8.515
   82    HB3  SER  12           HB1      SER  12  -4.283   1.154   8.264
   83    HG   SER  12           HG       SER  12  -2.742   3.336   7.904
   84    H    LEU  13           HN       LEU  13  -1.533   1.554  11.484
   85    HA   LEU  13           HA       LEU  13  -3.225  -0.521  12.752
   86    HB2  LEU  13           HB2      LEU  13  -0.534  -0.560  11.710
   87    HB3  LEU  13           HB1      LEU  13  -0.480  -0.942  13.426
   88    HG   LEU  13           HG       LEU  13  -0.712  -2.979  12.080
   89   HD11  LEU  13          HD11      LEU  13  -2.046  -2.488  14.349
   90   HD12  LEU  13          HD12      LEU  13  -2.226  -4.004  13.473
   91   HD13  LEU  13          HD13      LEU  13  -3.439  -2.740  13.295
   92   HD21  LEU  13          HD21      LEU  13  -2.343  -3.335  10.473
   93   HD22  LEU  13          HD22      LEU  13  -2.111  -1.601  10.281
   94   HD23  LEU  13          HD23      LEU  13  -3.483  -2.211  11.206
   95    HA   PRO  14           HA       PRO  14  -0.756   1.599  16.438
   96    HB2  PRO  14           HB2      PRO  14  -0.560   4.316  15.176
   97    HB3  PRO  14           HB1      PRO  14   0.553   3.515  16.306
   98    HG2  PRO  14           HG2      PRO  14   1.135   3.697  13.722
   99    HG3  PRO  14           HG1      PRO  14   1.522   2.231  14.644
  100    HD2  PRO  14           HD2      PRO  14  -0.671   2.676  12.660
  101    HD3  PRO  14           HD1      PRO  14   0.261   1.214  12.994
  102    H    LEU  15           HN       LEU  15  -2.806   3.664  14.363
  103    HA   LEU  15           HA       LEU  15  -4.267   4.865  16.465
  104    HB2  LEU  15           HB2      LEU  15  -4.964   4.392  13.562
  105    HB3  LEU  15           HB1      LEU  15  -5.956   5.351  14.657
  106    HG   LEU  15           HG       LEU  15  -3.027   5.904  14.093
  107   HD11  LEU  15          HD11      LEU  15  -4.206   6.273  12.043
  108   HD12  LEU  15          HD12      LEU  15  -3.984   7.861  12.781
  109   HD13  LEU  15          HD13      LEU  15  -5.549   7.054  12.878
  110   HD21  LEU  15          HD21      LEU  15  -3.936   8.243  14.988
  111   HD22  LEU  15          HD22      LEU  15  -3.452   6.984  16.117
  112   HD23  LEU  15          HD23      LEU  15  -5.160   7.231  15.757
  113    H    LEU  16           HN       LEU  16  -4.839   1.976  14.510
  114    HA   LEU  16           HA       LEU  16  -7.395   1.353  15.541
  115    HB2  LEU  16           HB2      LEU  16  -5.232  -0.230  14.173
  116    HB3  LEU  16           HB1      LEU  16  -6.659  -1.048  14.799
  117    HG   LEU  16           HG       LEU  16  -6.802  -0.345  12.367
  118   HD11  LEU  16          HD11      LEU  16  -8.799  -0.586  14.103
  119   HD12  LEU  16          HD12      LEU  16  -9.082   0.050  12.488
  120   HD13  LEU  16          HD13      LEU  16  -8.943   1.153  13.852
  121   HD21  LEU  16          HD21      LEU  16  -5.608   1.864  12.838
  122   HD22  LEU  16          HD22      LEU  16  -7.141   2.445  13.485
  123   HD23  LEU  16          HD23      LEU  16  -7.026   1.961  11.795
  124    H    ASN  17           HN       ASN  17  -4.131   0.431  16.561
  125    HA   ASN  17           HA       ASN  17  -4.887  -1.393  18.574
  126    HB2  ASN  17           HB2      ASN  17  -2.606  -1.303  17.742
  127    HB3  ASN  17           HB1      ASN  17  -2.422   0.345  18.342
  128   HD21  ASN  17          HD21      ASN  17  -3.167  -2.977  19.535
  129   HD22  ASN  17          HD22      ASN  17  -2.438  -2.746  21.050
  130    H    VAL  18           HN       VAL  18  -4.322   2.111  18.658
  131    HA   VAL  18           HA       VAL  18  -4.594   2.415  21.463
  132    HB   VAL  18           HB       VAL  18  -5.035   4.354  19.180
  133   HG11  VAL  18          HG11      VAL  18  -5.089   4.750  22.180
  134   HG12  VAL  18          HG12      VAL  18  -6.307   5.235  21.000
  135   HG13  VAL  18          HG13      VAL  18  -4.757   6.072  21.061
  136   HG21  VAL  18          HG21      VAL  18  -2.836   5.164  19.773
  137   HG22  VAL  18          HG22      VAL  18  -2.722   3.413  19.602
  138   HG23  VAL  18          HG23      VAL  18  -2.791   4.139  21.207
  139    H    ILE  19           HN       ILE  19  -6.905   2.683  18.785
  140    HA   ILE  19           HA       ILE  19  -9.158   3.377  20.356
  141    HB   ILE  19           HB       ILE  19  -8.943   1.999  17.667
  142   HG12  ILE  19          HG12      ILE  19  -9.735   4.838  18.366
  143   HG13  ILE  19          HG11      ILE  19  -8.086   4.374  17.948
  144   HG21  ILE  19          HG21      ILE  19 -11.328   3.038  19.216
  145   HG22  ILE  19          HG22      ILE  19 -11.103   1.429  18.532
  146   HG23  ILE  19          HG23      ILE  19 -11.363   2.809  17.466
  147   HD11  ILE  19          HD11      ILE  19  -9.203   5.181  15.941
  148   HD12  ILE  19          HD12      ILE  19 -10.545   4.066  16.201
  149   HD13  ILE  19          HD13      ILE  19  -8.947   3.443  15.790
  150    H    ALA  20           HN       ALA  20  -7.869   0.282  19.223
  151    HA   ALA  20           HA       ALA  20  -9.960  -1.286  20.419
  152    HB1  ALA  20           HB1      ALA  20  -8.598  -3.203  19.795
  153    HB2  ALA  20           HB2      ALA  20  -7.212  -2.155  19.493
  154    HB3  ALA  20           HB3      ALA  20  -8.636  -2.053  18.458
  155    HN1  NH2  21           H2       NH2  21  -6.997  -0.709  23.122
  156    HN2  NH2  21           H1       NH2  21  -6.980   0.087  21.622
  Start of MODEL    6
    1    H1   ACE   0           HA2      ACE   0   0.514  -9.875  -0.627
    2    H2   ACE   0           HA3      ACE   0   1.146  -8.583   0.393
    3    H3   ACE   0           HA1      ACE   0   2.245  -9.540  -0.600
    4    H    LEU   1           HN       LEU   1  -0.282  -7.093  -0.647
    5    HA   LEU   1           HA       LEU   1  -0.341  -6.614  -3.428
    6    HB2  LEU   1           HB2      LEU   1  -0.954  -4.822  -1.073
    7    HB3  LEU   1           HB1      LEU   1  -1.249  -4.359  -2.746
    8    HG   LEU   1           HG       LEU   1  -2.376  -6.878  -1.489
    9   HD11  LEU   1          HD11      LEU   1  -3.212  -4.854  -0.327
   10   HD12  LEU   1          HD12      LEU   1  -4.486  -5.646  -1.253
   11   HD13  LEU   1          HD13      LEU   1  -3.721  -4.186  -1.878
   12   HD21  LEU   1          HD21      LEU   1  -2.721  -5.460  -4.131
   13   HD22  LEU   1          HD22      LEU   1  -4.062  -6.393  -3.474
   14   HD23  LEU   1          HD23      LEU   1  -2.527  -7.181  -3.810
   15    H    GLY   2           HN       GLY   2   1.657  -5.291  -0.829
   16    HA2  GLY   2           HA2      GLY   2   3.999  -4.787  -1.405
   17    HA3  GLY   2           HA1      GLY   2   3.406  -4.031  -2.877
   18    H    LEU   3           HN       LEU   3   1.142  -3.228  -0.755
   19    HA   LEU   3           HA       LEU   3   2.304  -0.584  -0.259
   20    HB2  LEU   3           HB2      LEU   3  -0.487  -1.651   0.244
   21    HB3  LEU   3           HB1      LEU   3   0.020   0.024   0.441
   22    HG   LEU   3           HG       LEU   3   0.161  -1.530  -2.160
   23   HD11  LEU   3          HD11      LEU   3  -1.751  -0.181  -2.857
   24   HD12  LEU   3          HD12      LEU   3  -1.757   0.662  -1.309
   25   HD13  LEU   3          HD13      LEU   3  -2.162  -1.053  -1.380
   26   HD21  LEU   3          HD21      LEU   3   1.785   0.134  -2.395
   27   HD22  LEU   3          HD22      LEU   3   0.950   1.256  -1.321
   28   HD23  LEU   3          HD23      LEU   3   0.356   0.994  -2.961
   29    H    LEU   4           HN       LEU   4   2.227  -3.501   1.302
   30    HA   LEU   4           HA       LEU   4   1.581  -2.815   3.964
   31    HB2  LEU   4           HB2      LEU   4   3.248  -4.980   2.700
   32    HB3  LEU   4           HB1      LEU   4   3.191  -4.819   4.453
   33    HG   LEU   4           HG       LEU   4   1.499  -6.428   3.515
   34   HD11  LEU   4          HD11      LEU   4  -0.078  -5.899   5.115
   35   HD12  LEU   4          HD12      LEU   4  -0.115  -4.190   4.692
   36   HD13  LEU   4          HD13      LEU   4   1.214  -4.833   5.656
   37   HD21  LEU   4          HD21      LEU   4   1.114  -4.987   1.449
   38   HD22  LEU   4          HD22      LEU   4   0.117  -3.947   2.466
   39   HD23  LEU   4          HD23      LEU   4  -0.343  -5.629   2.208
   40    H    SER   5           HN       SER   5   4.641  -2.718   2.170
   41    HA   SER   5           HA       SER   5   6.303  -2.020   4.337
   42    HB2  SER   5           HB2      SER   5   7.397  -2.703   2.356
   43    HB3  SER   5           HB1      SER   5   6.497  -1.563   1.362
   44    HG   SER   5           HG       SER   5   8.811  -1.119   2.202
   45    H    TYR   6           HN       TYR   6   4.530  -0.016   1.998
   46    HA   TYR   6           HA       TYR   6   5.408   2.480   3.025
   47    HB2  TYR   6           HB2      TYR   6   2.980   1.709   1.396
   48    HB3  TYR   6           HB1      TYR   6   3.400   3.376   1.793
   49    HD1  TYR   6           HD1      TYR   6   4.492   0.337  -0.026
   50    HD2  TYR   6           HD2      TYR   6   5.257   4.493   0.746
   51    HE1  TYR   6           HE1      TYR   6   6.101   0.393  -1.913
   52    HE2  TYR   6           HE2      TYR   6   6.865   4.548  -1.140
   53    HH   TYR   6           HH       TYR   6   7.981   1.685  -2.686
   54    H    GLY   7           HN       GLY   7   2.543   0.488   3.664
   55    HA2  GLY   7           HA2      GLY   7   1.587   2.383   5.692
   56    HA3  GLY   7           HA1      GLY   7   0.730   0.969   5.096
   57    H    ALA   8           HN       ALA   8   4.068   0.689   6.018
   58    HA   ALA   8           HA       ALA   8   3.596  -1.426   7.806
   59    HB1  ALA   8           HB1      ALA   8   5.930  -1.270   8.372
   60    HB2  ALA   8           HB2      ALA   8   6.015   0.386   7.771
   61    HB3  ALA   8           HB3      ALA   8   5.762  -0.950   6.646
   62    H    GLY   9           HN       GLY   9   1.850  -0.431   9.111
   63    HA2  GLY   9           HA2      GLY   9   1.204   0.171  11.239
   64    HA3  GLY   9           HA1      GLY   9   2.891   0.410  11.648
   65    H    VAL  10           HN       VAL  10   1.546   2.054   8.909
   66    HA   VAL  10           HA       VAL  10   2.288   4.597   9.889
   67    HB   VAL  10           HB       VAL  10   0.563   3.731   7.575
   68   HG11  VAL  10          HG11      VAL  10   1.015   6.145   6.783
   69   HG12  VAL  10          HG12      VAL  10   1.416   6.497   8.465
   70   HG13  VAL  10          HG13      VAL  10  -0.204   5.944   8.044
   71   HG21  VAL  10          HG21      VAL  10   3.386   4.820   7.809
   72   HG22  VAL  10          HG22      VAL  10   2.565   4.458   6.291
   73   HG23  VAL  10          HG23      VAL  10   2.943   3.158   7.423
   74    H    ALA  11           HN       ALA  11  -0.948   3.123   9.518
   75    HA   ALA  11           HA       ALA  11  -1.954   4.656  11.750
   76    HB1  ALA  11           HB1      ALA  11  -2.121   6.428  10.165
   77    HB2  ALA  11           HB2      ALA  11  -3.748   5.774  10.353
   78    HB3  ALA  11           HB3      ALA  11  -2.787   5.354   8.935
   79    H    SER  12           HN       SER  12  -2.465   2.383   9.140
   80    HA   SER  12           HA       SER  12  -5.117   1.641   9.704
   81    HB2  SER  12           HB2      SER  12  -2.802   0.099   8.523
   82    HB3  SER  12           HB1      SER  12  -4.420  -0.579   8.682
   83    HG   SER  12           HG       SER  12  -5.031   1.522   7.580
   84    H    LEU  13           HN       LEU  13  -2.087   0.915  11.266
   85    HA   LEU  13           HA       LEU  13  -3.393  -1.068  13.023
   86    HB2  LEU  13           HB2      LEU  13  -0.759  -0.818  11.839
   87    HB3  LEU  13           HB1      LEU  13  -0.605  -0.945  13.589
   88    HG   LEU  13           HG       LEU  13  -2.149  -2.973  13.455
   89   HD11  LEU  13          HD11      LEU  13  -2.186  -4.070  11.186
   90   HD12  LEU  13          HD12      LEU  13  -1.563  -2.567  10.506
   91   HD13  LEU  13          HD13      LEU  13  -3.149  -2.597  11.276
   92   HD21  LEU  13          HD21      LEU  13   0.216  -3.305  13.770
   93   HD22  LEU  13          HD22      LEU  13   0.547  -2.963  12.072
   94   HD23  LEU  13          HD23      LEU  13  -0.304  -4.440  12.524
   95    HA   PRO  14           HA       PRO  14  -1.165   2.033  16.149
   96    HB2  PRO  14           HB2      PRO  14  -1.486   4.477  14.434
   97    HB3  PRO  14           HB1      PRO  14  -0.220   4.087  15.617
   98    HG2  PRO  14           HG2      PRO  14   0.234   3.895  13.002
   99    HG3  PRO  14           HG1      PRO  14   0.922   2.727  14.146
  100    HD2  PRO  14           HD2      PRO  14  -1.338   2.361  12.229
  101    HD3  PRO  14           HD1      PRO  14  -0.165   1.185  12.829
  102    H    LEU  15           HN       LEU  15  -3.687   3.242  13.912
  103    HA   LEU  15           HA       LEU  15  -5.177   4.654  15.844
  104    HB2  LEU  15           HB2      LEU  15  -6.010   3.353  13.249
  105    HB3  LEU  15           HB1      LEU  15  -7.090   4.349  14.220
  106    HG   LEU  15           HG       LEU  15  -4.398   5.286  13.182
  107   HD11  LEU  15          HD11      LEU  15  -7.192   5.621  12.065
  108   HD12  LEU  15          HD12      LEU  15  -5.798   4.889  11.270
  109   HD13  LEU  15          HD13      LEU  15  -5.829   6.626  11.575
  110   HD21  LEU  15          HD21      LEU  15  -6.627   6.548  14.768
  111   HD22  LEU  15          HD22      LEU  15  -5.742   7.556  13.625
  112   HD23  LEU  15          HD23      LEU  15  -4.883   6.750  14.930
  113    H    LEU  16           HN       LEU  16  -5.377   1.298  14.735
  114    HA   LEU  16           HA       LEU  16  -7.660   0.581  16.241
  115    HB2  LEU  16           HB2      LEU  16  -5.390  -0.944  14.982
  116    HB3  LEU  16           HB1      LEU  16  -6.553  -1.787  16.007
  117    HG   LEU  16           HG       LEU  16  -8.397  -1.080  14.602
  118   HD11  LEU  16          HD11      LEU  16  -7.788   0.211  12.453
  119   HD12  LEU  16          HD12      LEU  16  -6.271   0.600  13.263
  120   HD13  LEU  16          HD13      LEU  16  -7.800   1.129  13.960
  121   HD21  LEU  16          HD21      LEU  16  -7.164  -3.070  13.851
  122   HD22  LEU  16          HD22      LEU  16  -6.055  -2.049  12.934
  123   HD23  LEU  16          HD23      LEU  16  -7.750  -2.156  12.460
  124    H    ASN  17           HN       ASN  17  -4.207   0.568  16.978
  125    HA   ASN  17           HA       ASN  17  -4.326  -0.786  19.441
  126    HB2  ASN  17           HB2      ASN  17  -2.219  -0.359  18.257
  127    HB3  ASN  17           HB1      ASN  17  -2.405   1.372  18.540
  128   HD21  ASN  17          HD21      ASN  17  -0.759  -1.240  19.716
  129   HD22  ASN  17          HD22      ASN  17  -0.596  -0.771  21.340
  130    H    VAL  18           HN       VAL  18  -4.714   2.639  18.621
  131    HA   VAL  18           HA       VAL  18  -4.761   3.655  21.249
  132    HB   VAL  18           HB       VAL  18  -6.048   4.651  18.697
  133   HG11  VAL  18          HG11      VAL  18  -5.859   5.911  21.445
  134   HG12  VAL  18          HG12      VAL  18  -7.311   5.646  20.477
  135   HG13  VAL  18          HG13      VAL  18  -6.127   6.854  19.980
  136   HG21  VAL  18          HG21      VAL  18  -3.557   4.558  18.792
  137   HG22  VAL  18          HG22      VAL  18  -3.599   5.565  20.237
  138   HG23  VAL  18          HG23      VAL  18  -4.164   6.209  18.695
  139    H    ILE  19           HN       ILE  19  -7.405   2.575  19.113
  140    HA   ILE  19           HA       ILE  19  -9.486   3.064  20.981
  141    HB   ILE  19           HB       ILE  19  -9.428   1.012  18.757
  142   HG12  ILE  19          HG12      ILE  19  -8.868   3.198  17.838
  143   HG13  ILE  19          HG11      ILE  19 -10.529   2.808  17.408
  144   HG21  ILE  19          HG21      ILE  19 -11.686   2.387  20.236
  145   HG22  ILE  19          HG22      ILE  19 -11.286   0.670  20.272
  146   HG23  ILE  19          HG23      ILE  19 -11.901   1.402  18.789
  147   HD11  ILE  19          HD11      ILE  19 -10.692   5.034  18.137
  148   HD12  ILE  19          HD12      ILE  19  -9.524   4.797  19.434
  149   HD13  ILE  19          HD13      ILE  19 -11.149   4.131  19.579
  150    H    ALA  20           HN       ALA  20  -7.550   0.202  20.204
  151    HA   ALA  20           HA       ALA  20  -8.868  -1.454  22.159
  152    HB1  ALA  20           HB1      ALA  20  -7.346  -3.151  21.512
  153    HB2  ALA  20           HB2      ALA  20  -6.169  -1.981  20.918
  154    HB3  ALA  20           HB3      ALA  20  -7.674  -2.244  20.036
  155    HN1  NH2  21           H2       NH2  21  -5.745   0.481  23.850
  156    HN2  NH2  21           H1       NH2  21  -6.256   0.843  22.272
  Start of MODEL    7
    1    H1   ACE   0           HA2      ACE   0   3.889  -2.300  -5.606
    2    H2   ACE   0           HA3      ACE   0   4.411  -1.424  -4.167
    3    H3   ACE   0           HA1      ACE   0   2.769  -2.058  -4.264
    4    H    LEU   1           HN       LEU   1   5.324  -2.530  -2.539
    5    HA   LEU   1           HA       LEU   1   6.094  -5.228  -2.864
    6    HB2  LEU   1           HB2      LEU   1   6.079  -3.424  -0.436
    7    HB3  LEU   1           HB1      LEU   1   6.797  -5.032  -0.446
    8    HG   LEU   1           HG       LEU   1   7.562  -2.850  -2.407
    9   HD11  LEU   1          HD11      LEU   1   9.577  -2.545  -0.989
   10   HD12  LEU   1          HD12      LEU   1   8.897  -3.662   0.194
   11   HD13  LEU   1          HD13      LEU   1   8.096  -2.123  -0.127
   12   HD21  LEU   1          HD21      LEU   1   8.311  -4.854  -3.357
   13   HD22  LEU   1          HD22      LEU   1   8.566  -5.629  -1.796
   14   HD23  LEU   1          HD23      LEU   1   9.704  -4.416  -2.375
   15    H    GLY   2           HN       GLY   2   3.500  -3.671  -1.054
   16    HA2  GLY   2           HA2      GLY   2   1.383  -4.738  -0.706
   17    HA3  GLY   2           HA1      GLY   2   2.197  -6.300  -0.689
   18    H    LEU   3           HN       LEU   3   4.227  -4.411   0.909
   19    HA   LEU   3           HA       LEU   3   3.216  -5.246   3.544
   20    HB2  LEU   3           HB2      LEU   3   5.906  -4.127   2.717
   21    HB3  LEU   3           HB1      LEU   3   5.484  -4.676   4.337
   22    HG   LEU   3           HG       LEU   3   5.412  -6.412   1.850
   23   HD11  LEU   3          HD11      LEU   3   7.391  -6.389   4.148
   24   HD12  LEU   3          HD12      LEU   3   7.706  -5.716   2.548
   25   HD13  LEU   3          HD13      LEU   3   7.436  -7.449   2.738
   26   HD21  LEU   3          HD21      LEU   3   3.899  -7.437   3.315
   27   HD22  LEU   3          HD22      LEU   3   4.736  -6.858   4.757
   28   HD23  LEU   3          HD23      LEU   3   5.408  -8.193   3.823
   29    H    LEU   4           HN       LEU   4   3.065  -2.574   1.572
   30    HA   LEU   4           HA       LEU   4   3.538  -0.438   3.367
   31    HB2  LEU   4           HB2      LEU   4   1.734  -0.659   0.947
   32    HB3  LEU   4           HB1      LEU   4   2.025   0.848   1.810
   33    HG   LEU   4           HG       LEU   4   4.229  -0.867   0.623
   34   HD11  LEU   4          HD11      LEU   4   2.683   0.013  -1.117
   35   HD12  LEU   4          HD12      LEU   4   4.286   0.741  -1.222
   36   HD13  LEU   4          HD13      LEU   4   2.952   1.643  -0.503
   37   HD21  LEU   4          HD21      LEU   4   5.286   0.503   2.202
   38   HD22  LEU   4          HD22      LEU   4   4.116   1.809   2.014
   39   HD23  LEU   4          HD23      LEU   4   5.345   1.539   0.780
   40    H    SER   5           HN       SER   5   0.671  -2.350   2.611
   41    HA   SER   5           HA       SER   5  -1.043  -0.872   4.396
   42    HB2  SER   5           HB2      SER   5  -1.381  -3.468   2.891
   43    HB3  SER   5           HB1      SER   5  -2.637  -2.771   3.912
   44    HG   SER   5           HG       SER   5  -1.343  -1.339   1.837
   45    H    TYR   6           HN       TYR   6   1.410  -3.029   4.929
   46    HA   TYR   6           HA       TYR   6   0.403  -4.817   6.846
   47    HB2  TYR   6           HB2      TYR   6   2.685  -4.893   5.791
   48    HB3  TYR   6           HB1      TYR   6   3.152  -3.553   6.835
   49    HD1  TYR   6           HD2      TYR   6   3.280  -3.843   9.287
   50    HD2  TYR   6           HD1      TYR   6   2.353  -7.119   6.668
   51    HE1  TYR   6           HE2      TYR   6   3.751  -5.444  11.122
   52    HE2  TYR   6           HE1      TYR   6   2.826  -8.719   8.499
   53    HH   TYR   6           HH       TYR   6   4.367  -8.573  10.717
   54    H    GLY   7           HN       GLY   7   1.779  -1.565   7.203
   55    HA2  GLY   7           HA2      GLY   7   0.412  -0.235   8.936
   56    HA3  GLY   7           HA1      GLY   7   0.941  -1.501  10.041
   57    H    ALA   8           HN       ALA   8   2.905  -0.211   7.424
   58    HA   ALA   8           HA       ALA   8   5.070   0.363   9.223
   59    HB1  ALA   8           HB1      ALA   8   5.420  -0.447   6.903
   60    HB2  ALA   8           HB2      ALA   8   6.268   1.066   7.222
   61    HB3  ALA   8           HB3      ALA   8   4.767   1.075   6.295
   62    H    GLY   9           HN       GLY   9   2.324   2.079   8.238
   63    HA2  GLY   9           HA2      GLY   9   2.576   4.281   9.793
   64    HA3  GLY   9           HA1      GLY   9   3.489   4.730   8.356
   65    H    VAL  10           HN       VAL  10   0.680   2.627   8.299
   66    HA   VAL  10           HA       VAL  10  -0.611   4.116   6.268
   67    HB   VAL  10           HB       VAL  10  -1.724   2.015   8.142
   68   HG11  VAL  10          HG11      VAL  10  -3.409   1.715   6.320
   69   HG12  VAL  10          HG12      VAL  10  -2.742   3.134   5.513
   70   HG13  VAL  10          HG13      VAL  10  -3.516   3.297   7.088
   71   HG21  VAL  10          HG21      VAL  10  -0.648   1.780   5.314
   72   HG22  VAL  10          HG22      VAL  10  -1.247   0.462   6.319
   73   HG23  VAL  10          HG23      VAL  10   0.238   1.304   6.762
   74    H    ALA  11           HN       ALA  11  -1.095   3.863   9.763
   75    HA   ALA  11           HA       ALA  11  -1.925   5.447  11.235
   76    HB1  ALA  11           HB1      ALA  11  -3.116   7.120   9.043
   77    HB2  ALA  11           HB2      ALA  11  -1.365   7.109   9.239
   78    HB3  ALA  11           HB3      ALA  11  -2.396   7.620  10.573
   79    H    SER  12           HN       SER  12  -3.489   3.715   8.847
   80    HA   SER  12           HA       SER  12  -6.188   4.175   9.973
   81    HB2  SER  12           HB2      SER  12  -5.653   4.193   7.420
   82    HB3  SER  12           HB1      SER  12  -5.618   2.439   7.582
   83    HG   SER  12           HG       SER  12  -7.729   3.215   8.892
   84    H    LEU  13           HN       LEU  13  -3.854   2.586  11.120
   85    HA   LEU  13           HA       LEU  13  -5.438   0.409  12.084
   86    HB2  LEU  13           HB2      LEU  13  -4.041  -0.141   9.734
   87    HB3  LEU  13           HB1      LEU  13  -2.972  -0.775  10.979
   88    HG   LEU  13           HG       LEU  13  -5.102  -1.901  11.954
   89   HD11  LEU  13          HD11      LEU  13  -6.734  -2.488  10.092
   90   HD12  LEU  13          HD12      LEU  13  -6.019  -1.176   9.158
   91   HD13  LEU  13          HD13      LEU  13  -6.832  -0.833  10.686
   92   HD21  LEU  13          HD21      LEU  13  -3.925  -2.791   9.301
   93   HD22  LEU  13          HD22      LEU  13  -4.822  -3.830  10.411
   94   HD23  LEU  13          HD23      LEU  13  -3.271  -3.147  10.901
   95    HA   PRO  14           HA       PRO  14  -1.036   0.445  14.201
   96    HB2  PRO  14           HB2      PRO  14  -0.176   3.210  13.440
   97    HB3  PRO  14           HB1      PRO  14   0.795   1.731  13.597
   98    HG2  PRO  14           HG2      PRO  14   0.204   2.692  11.204
   99    HG3  PRO  14           HG1      PRO  14   0.163   0.944  11.505
  100    HD2  PRO  14           HD2      PRO  14  -2.129   2.881  11.342
  101    HD3  PRO  14           HD1      PRO  14  -1.999   1.248  10.654
  102    H    LEU  15           HN       LEU  15  -2.479   3.693  13.824
  103    HA   LEU  15           HA       LEU  15  -2.315   4.399  16.563
  104    HB2  LEU  15           HB2      LEU  15  -4.082   5.403  14.324
  105    HB3  LEU  15           HB1      LEU  15  -4.042   6.129  15.928
  106    HG   LEU  15           HG       LEU  15  -1.585   5.771  14.186
  107   HD11  LEU  15          HD11      LEU  15  -3.440   8.143  14.520
  108   HD12  LEU  15          HD12      LEU  15  -3.065   7.281  13.027
  109   HD13  LEU  15          HD13      LEU  15  -1.827   8.259  13.815
  110   HD21  LEU  15          HD21      LEU  15  -0.901   7.758  15.820
  111   HD22  LEU  15          HD22      LEU  15  -0.765   6.089  16.354
  112   HD23  LEU  15          HD23      LEU  15  -2.148   7.062  16.853
  113    H    LEU  16           HN       LEU  16  -4.868   2.947  14.605
  114    HA   LEU  16           HA       LEU  16  -6.890   2.939  16.574
  115    HB2  LEU  16           HB2      LEU  16  -6.522   0.941  14.332
  116    HB3  LEU  16           HB1      LEU  16  -8.027   1.359  15.150
  117    HG   LEU  16           HG       LEU  16  -6.343   3.271  13.504
  118   HD11  LEU  16          HD11      LEU  16  -7.405   1.685  12.040
  119   HD12  LEU  16          HD12      LEU  16  -8.360   3.167  11.975
  120   HD13  LEU  16          HD13      LEU  16  -8.924   1.794  12.926
  121   HD21  LEU  16          HD21      LEU  16  -8.887   3.566  15.107
  122   HD22  LEU  16          HD22      LEU  16  -8.582   4.608  13.717
  123   HD23  LEU  16          HD23      LEU  16  -7.468   4.614  15.081
  124    H    ASN  17           HN       ASN  17  -4.367   0.595  15.754
  125    HA   ASN  17           HA       ASN  17  -5.245  -1.501  17.413
  126    HB2  ASN  17           HB2      ASN  17  -3.469  -1.645  15.632
  127    HB3  ASN  17           HB1      ASN  17  -2.371  -0.842  16.753
  128   HD21  ASN  17          HD21      ASN  17  -0.982  -2.641  17.182
  129   HD22  ASN  17          HD22      ASN  17  -1.523  -4.062  17.935
  130    H    VAL  18           HN       VAL  18  -3.100   1.254  18.060
  131    HA   VAL  18           HA       VAL  18  -2.344   0.485  20.675
  132    HB   VAL  18           HB       VAL  18  -2.534   3.210  19.368
  133   HG11  VAL  18          HG11      VAL  18  -2.629   3.622  21.720
  134   HG12  VAL  18          HG12      VAL  18  -0.938   3.839  21.264
  135   HG13  VAL  18          HG13      VAL  18  -1.453   2.352  22.060
  136   HG21  VAL  18          HG21      VAL  18  -0.895   1.722  18.342
  137   HG22  VAL  18          HG22      VAL  18  -0.241   1.302  19.923
  138   HG23  VAL  18          HG23      VAL  18  -0.048   2.938  19.295
  139    H    ILE  19           HN       ILE  19  -4.955   2.575  19.470
  140    HA   ILE  19           HA       ILE  19  -6.032   3.226  22.010
  141    HB   ILE  19           HB       ILE  19  -7.296   3.150  19.257
  142   HG12  ILE  19          HG12      ILE  19  -6.403   5.497  20.956
  143   HG13  ILE  19          HG11      ILE  19  -5.379   4.747  19.731
  144   HG21  ILE  19          HG21      ILE  19  -9.109   3.004  20.808
  145   HG22  ILE  19          HG22      ILE  19  -8.980   4.712  20.393
  146   HG23  ILE  19          HG23      ILE  19  -8.337   4.127  21.927
  147   HD11  ILE  19          HD11      ILE  19  -6.493   6.638  18.711
  148   HD12  ILE  19          HD12      ILE  19  -8.064   6.081  19.289
  149   HD13  ILE  19          HD13      ILE  19  -7.206   5.167  18.049
  150    H    ALA  20           HN       ALA  20  -6.756   0.685  19.657
  151    HA   ALA  20           HA       ALA  20  -8.842  -0.481  21.283
  152    HB1  ALA  20           HB1      ALA  20  -8.703  -2.324  19.558
  153    HB2  ALA  20           HB2      ALA  20  -7.432  -1.391  18.769
  154    HB3  ALA  20           HB3      ALA  20  -9.059  -0.722  18.909
  155    HN1  NH2  21           H2       NH2  21  -5.270  -2.145  22.165
  156    HN2  NH2  21           H1       NH2  21  -5.389  -0.752  21.205
  Start of MODEL    8
    1    H1   ACE   0           HA2      ACE   0   6.022  -3.715  -3.248
    2    H2   ACE   0           HA3      ACE   0   6.599  -5.365  -3.481
    3    H3   ACE   0           HA1      ACE   0   6.099  -4.823  -1.878
    4    H    LEU   1           HN       LEU   1   4.323  -5.991  -1.395
    5    HA   LEU   1           HA       LEU   1   2.447  -6.981  -3.262
    6    HB2  LEU   1           HB2      LEU   1   2.257  -6.507  -0.282
    7    HB3  LEU   1           HB1      LEU   1   1.004  -7.319  -1.214
    8    HG   LEU   1           HG       LEU   1   3.901  -8.216  -1.186
    9   HD11  LEU   1          HD11      LEU   1   3.201  -9.939   0.422
   10   HD12  LEU   1          HD12      LEU   1   1.573  -9.262   0.454
   11   HD13  LEU   1          HD13      LEU   1   2.929  -8.328   1.086
   12   HD21  LEU   1          HD21      LEU   1   1.323  -9.320  -2.306
   13   HD22  LEU   1          HD22      LEU   1   2.603 -10.430  -1.824
   14   HD23  LEU   1          HD23      LEU   1   2.912  -9.221  -3.063
   15    H    GLY   2           HN       GLY   2   2.463  -4.086  -1.221
   16    HA2  GLY   2           HA2      GLY   2   1.388  -2.156  -2.588
   17    HA3  GLY   2           HA1      GLY   2  -0.051  -3.162  -2.462
   18    H    LEU   3           HN       LEU   3   1.318  -3.947   0.256
   19    HA   LEU   3           HA       LEU   3  -0.208  -2.026   1.833
   20    HB2  LEU   3           HB2      LEU   3   1.387  -4.459   2.676
   21    HB3  LEU   3           HB1      LEU   3   0.322  -3.517   3.717
   22    HG   LEU   3           HG       LEU   3  -0.560  -4.960   1.196
   23   HD11  LEU   3          HD11      LEU   3   0.053  -6.583   2.886
   24   HD12  LEU   3          HD12      LEU   3  -1.707  -6.483   2.842
   25   HD13  LEU   3          HD13      LEU   3  -0.810  -5.681   4.131
   26   HD21  LEU   3          HD21      LEU   3  -1.959  -3.247   3.250
   27   HD22  LEU   3          HD22      LEU   3  -2.848  -4.542   2.450
   28   HD23  LEU   3          HD23      LEU   3  -2.134  -3.247   1.496
   29    H    LEU   4           HN       LEU   4   2.871  -2.166   0.604
   30    HA   LEU   4           HA       LEU   4   4.482  -1.347   2.763
   31    HB2  LEU   4           HB2      LEU   4   5.450  -2.132   0.669
   32    HB3  LEU   4           HB1      LEU   4   4.738  -0.778  -0.202
   33    HG   LEU   4           HG       LEU   4   6.116   0.804   1.061
   34   HD11  LEU   4          HD11      LEU   4   6.878  -1.682   2.590
   35   HD12  LEU   4          HD12      LEU   4   6.392  -0.105   3.211
   36   HD13  LEU   4          HD13      LEU   4   7.991  -0.316   2.505
   37   HD21  LEU   4          HD21      LEU   4   7.808  -1.505   0.059
   38   HD22  LEU   4          HD22      LEU   4   8.281   0.192   0.140
   39   HD23  LEU   4          HD23      LEU   4   7.026  -0.320  -0.988
   40    H    SER   5           HN       SER   5   2.591   0.504   0.399
   41    HA   SER   5           HA       SER   5   3.406   3.076   1.204
   42    HB2  SER   5           HB2      SER   5   2.258   2.927  -0.858
   43    HB3  SER   5           HB1      SER   5   0.916   2.039  -0.143
   44    HG   SER   5           HG       SER   5   1.648   4.748   0.288
   45    H    TYR   6           HN       TYR   6   0.725   1.021   2.290
   46    HA   TYR   6           HA       TYR   6  -0.330   2.956   4.113
   47    HB2  TYR   6           HB2      TYR   6  -0.717  -0.037   3.923
   48    HB3  TYR   6           HB1      TYR   6  -1.623   1.017   5.010
   49    HD1  TYR   6           HD1      TYR   6  -0.983   0.150   1.472
   50    HD2  TYR   6           HD2      TYR   6  -3.311   2.542   4.177
   51    HE1  TYR   6           HE1      TYR   6  -2.543   0.713  -0.369
   52    HE2  TYR   6           HE2      TYR   6  -4.871   3.107   2.334
   53    HH   TYR   6           HH       TYR   6  -5.500   2.559   0.225
   54    H    GLY   7           HN       GLY   7   2.602   1.832   4.215
   55    HA2  GLY   7           HA2      GLY   7   4.136   1.883   5.970
   56    HA3  GLY   7           HA1      GLY   7   2.795   2.002   7.105
   57    H    ALA   8           HN       ALA   8   2.817  -0.496   4.680
   58    HA   ALA   8           HA       ALA   8   2.884  -2.785   4.848
   59    HB1  ALA   8           HB1      ALA   8   4.685  -3.740   6.123
   60    HB2  ALA   8           HB2      ALA   8   4.811  -2.298   7.128
   61    HB3  ALA   8           HB3      ALA   8   5.267  -2.230   5.426
   62    H    GLY   9           HN       GLY   9   3.432  -2.037   8.284
   63    HA2  GLY   9           HA2      GLY   9   0.690  -2.629   8.978
   64    HA3  GLY   9           HA1      GLY   9   1.826  -3.885   9.447
   65    H    VAL  10           HN       VAL  10   3.198  -0.786   9.429
   66    HA   VAL  10           HA       VAL  10   3.622  -0.815  12.254
   67    HB   VAL  10           HB       VAL  10   4.864   1.202  11.906
   68   HG11  VAL  10          HG11      VAL  10   6.453   0.444  10.275
   69   HG12  VAL  10          HG12      VAL  10   5.217  -0.473   9.413
   70   HG13  VAL  10          HG13      VAL  10   5.751  -1.000  11.009
   71   HG21  VAL  10          HG21      VAL  10   4.831   2.216   9.537
   72   HG22  VAL  10          HG22      VAL  10   3.437   2.546  10.563
   73   HG23  VAL  10          HG23      VAL  10   3.334   1.315   9.304
   74    H    ALA  11           HN       ALA  11   1.638   1.180  10.084
   75    HA   ALA  11           HA       ALA  11   0.505   2.669  12.318
   76    HB1  ALA  11           HB1      ALA  11   0.860   3.954  10.341
   77    HB2  ALA  11           HB2      ALA  11  -0.883   3.706  10.455
   78    HB3  ALA  11           HB3      ALA  11   0.075   2.741   9.330
   79    H    SER  12           HN       SER  12   0.099  -0.336  11.305
   80    HA   SER  12           HA       SER  12  -2.839  -0.405  11.309
   81    HB2  SER  12           HB2      SER  12  -0.736  -2.509  10.788
   82    HB3  SER  12           HB1      SER  12  -2.464  -2.840  10.816
   83    HG   SER  12           HG       SER  12  -2.687  -1.261   9.159
   84    H    LEU  13           HN       LEU  13  -1.275   0.267  13.736
   85    HA   LEU  13           HA       LEU  13  -2.634  -1.555  15.512
   86    HB2  LEU  13           HB2      LEU  13   0.135  -2.018  14.862
   87    HB3  LEU  13           HB1      LEU  13   0.048  -1.535  16.552
   88    HG   LEU  13           HG       LEU  13  -1.748  -3.687  15.394
   89   HD11  LEU  13          HD11      LEU  13  -0.096  -5.261  16.522
   90   HD12  LEU  13          HD12      LEU  13   1.020  -3.897  16.603
   91   HD13  LEU  13          HD13      LEU  13   0.477  -4.501  15.037
   92   HD21  LEU  13          HD21      LEU  13  -0.800  -3.144  18.226
   93   HD22  LEU  13          HD22      LEU  13  -2.038  -4.294  17.728
   94   HD23  LEU  13          HD23      LEU  13  -2.334  -2.563  17.583
   95    HA   PRO  14           HA       PRO  14  -0.612   2.058  18.084
   96    HB2  PRO  14           HB2      PRO  14   0.033   3.951  15.857
   97    HB3  PRO  14           HB1      PRO  14   0.931   3.622  17.352
   98    HG2  PRO  14           HG2      PRO  14   1.791   2.699  15.013
   99    HG3  PRO  14           HG1      PRO  14   1.929   1.720  16.487
  100    HD2  PRO  14           HD2      PRO  14  -0.052   1.477  14.243
  101    HD3  PRO  14           HD1      PRO  14   0.766   0.200  15.165
  102    H    LEU  15           HN       LEU  15  -1.983   3.229  14.991
  103    HA   LEU  15           HA       LEU  15  -3.715   5.131  16.168
  104    HB2  LEU  15           HB2      LEU  15  -3.631   3.776  13.479
  105    HB3  LEU  15           HB1      LEU  15  -4.924   4.896  13.889
  106    HG   LEU  15           HG       LEU  15  -2.003   5.639  14.195
  107   HD11  LEU  15          HD11      LEU  15  -2.445   4.978  11.844
  108   HD12  LEU  15          HD12      LEU  15  -2.143   6.709  11.989
  109   HD13  LEU  15          HD13      LEU  15  -3.792   6.115  11.791
  110   HD21  LEU  15          HD21      LEU  15  -4.626   7.154  14.125
  111   HD22  LEU  15          HD22      LEU  15  -3.102   7.962  13.774
  112   HD23  LEU  15          HD23      LEU  15  -3.357   7.218  15.345
  113    H    LEU  16           HN       LEU  16  -4.182   1.782  15.137
  114    HA   LEU  16           HA       LEU  16  -6.957   1.635  15.645
  115    HB2  LEU  16           HB2      LEU  16  -4.844  -0.532  15.700
  116    HB3  LEU  16           HB1      LEU  16  -6.582  -0.821  15.695
  117    HG   LEU  16           HG       LEU  16  -5.068   0.675  13.531
  118   HD11  LEU  16          HD11      LEU  16  -6.356  -2.047  13.300
  119   HD12  LEU  16          HD12      LEU  16  -4.671  -1.860  13.786
  120   HD13  LEU  16          HD13      LEU  16  -5.202  -1.288  12.204
  121   HD21  LEU  16          HD21      LEU  16  -7.368   0.075  12.343
  122   HD22  LEU  16          HD22      LEU  16  -7.245   1.501  13.365
  123   HD23  LEU  16          HD23      LEU  16  -7.972   0.025  14.001
  124    H    ASN  17           HN       ASN  17  -4.121   1.005  17.642
  125    HA   ASN  17           HA       ASN  17  -5.442  -0.063  19.887
  126    HB2  ASN  17           HB2      ASN  17  -2.829   1.403  19.536
  127    HB3  ASN  17           HB1      ASN  17  -3.371   0.852  21.120
  128   HD21  ASN  17          HD21      ASN  17  -1.018  -0.242  19.949
  129   HD22  ASN  17          HD22      ASN  17  -1.318  -1.864  19.547
  130    H    VAL  18           HN       VAL  18  -4.671   3.287  18.991
  131    HA   VAL  18           HA       VAL  18  -5.539   4.493  21.399
  132    HB   VAL  18           HB       VAL  18  -5.394   5.551  18.565
  133   HG11  VAL  18          HG11      VAL  18  -5.446   7.805  19.780
  134   HG12  VAL  18          HG12      VAL  18  -6.059   6.924  21.180
  135   HG13  VAL  18          HG13      VAL  18  -6.984   6.946  19.677
  136   HG21  VAL  18          HG21      VAL  18  -3.323   6.528  19.269
  137   HG22  VAL  18          HG22      VAL  18  -3.281   4.851  19.812
  138   HG23  VAL  18          HG23      VAL  18  -3.638   6.141  20.960
  139    H    ILE  19           HN       ILE  19  -7.204   3.849  18.326
  140    HA   ILE  19           HA       ILE  19  -9.709   4.937  19.082
  141    HB   ILE  19           HB       ILE  19  -8.955   2.845  17.027
  142   HG12  ILE  19          HG12      ILE  19  -9.783   5.738  16.682
  143   HG13  ILE  19          HG11      ILE  19  -8.100   5.226  16.809
  144   HG21  ILE  19          HG21      ILE  19 -11.594   4.218  17.604
  145   HG22  ILE  19          HG22      ILE  19 -11.278   2.484  17.518
  146   HG23  ILE  19          HG23      ILE  19 -11.228   3.463  16.053
  147   HD11  ILE  19          HD11      ILE  19  -8.688   5.387  14.455
  148   HD12  ILE  19          HD12      ILE  19 -10.096   4.354  14.700
  149   HD13  ILE  19          HD13      ILE  19  -8.473   3.687  14.871
  150    H    ALA  20           HN       ALA  20  -8.350   1.673  19.212
  151    HA   ALA  20           HA       ALA  20 -10.737   0.555  20.428
  152    HB1  ALA  20           HB1      ALA  20  -9.480  -0.890  18.975
  153    HB2  ALA  20           HB2      ALA  20  -9.289  -1.500  20.619
  154    HB3  ALA  20           HB3      ALA  20  -7.989  -0.576  19.865
  155    HN1  NH2  21           H2       NH2  21  -8.304   1.911  23.272
  156    HN2  NH2  21           H1       NH2  21  -8.291   2.473  21.671
  Start of MODEL    9
    1    H1   ACE   0           HA2      ACE   0   2.460  -3.284  -3.796
    2    H2   ACE   0           HA3      ACE   0   1.726  -2.954  -2.227
    3    H3   ACE   0           HA1      ACE   0   0.722  -3.485  -3.577
    4    H    LEU   1           HN       LEU   1   3.866  -4.699  -2.473
    5    HA   LEU   1           HA       LEU   1   3.189  -7.419  -2.778
    6    HB2  LEU   1           HB2      LEU   1   5.346  -6.056  -1.159
    7    HB3  LEU   1           HB1      LEU   1   5.250  -7.802  -1.365
    8    HG   LEU   1           HG       LEU   1   5.354  -5.857  -3.689
    9   HD11  LEU   1          HD11      LEU   1   7.385  -5.657  -2.293
   10   HD12  LEU   1          HD12      LEU   1   7.747  -6.401  -3.850
   11   HD13  LEU   1          HD13      LEU   1   7.627  -7.402  -2.401
   12   HD21  LEU   1          HD21      LEU   1   5.502  -8.861  -3.393
   13   HD22  LEU   1          HD22      LEU   1   6.314  -8.076  -4.745
   14   HD23  LEU   1          HD23      LEU   1   4.576  -7.902  -4.546
   15    H    GLY   2           HN       GLY   2   3.183  -5.273   0.039
   16    HA2  GLY   2           HA2      GLY   2   1.052  -6.166   1.411
   17    HA3  GLY   2           HA1      GLY   2   2.262  -7.381   1.818
   18    H    LEU   3           HN       LEU   3   4.495  -5.559   1.725
   19    HA   LEU   3           HA       LEU   3   4.529  -4.698   4.413
   20    HB2  LEU   3           HB2      LEU   3   6.291  -3.890   2.085
   21    HB3  LEU   3           HB1      LEU   3   6.648  -3.570   3.781
   22    HG   LEU   3           HG       LEU   3   6.253  -6.325   2.575
   23   HD11  LEU   3          HD11      LEU   3   8.729  -4.754   3.322
   24   HD12  LEU   3          HD12      LEU   3   8.318  -5.436   1.748
   25   HD13  LEU   3          HD13      LEU   3   8.741  -6.500   3.088
   26   HD21  LEU   3          HD21      LEU   3   5.717  -6.643   4.819
   27   HD22  LEU   3          HD22      LEU   3   6.730  -5.310   5.369
   28   HD23  LEU   3          HD23      LEU   3   7.464  -6.841   4.897
   29    H    LEU   4           HN       LEU   4   3.974  -2.988   1.374
   30    HA   LEU   4           HA       LEU   4   3.902  -0.366   2.406
   31    HB2  LEU   4           HB2      LEU   4   2.663  -1.663  -0.018
   32    HB3  LEU   4           HB1      LEU   4   2.433   0.048   0.332
   33    HG   LEU   4           HG       LEU   4   5.153  -1.276   0.138
   34   HD11  LEU   4          HD11      LEU   4   3.530   0.196  -1.955
   35   HD12  LEU   4          HD12      LEU   4   4.130  -1.461  -2.030
   36   HD13  LEU   4          HD13      LEU   4   5.261  -0.110  -2.099
   37   HD21  LEU   4          HD21      LEU   4   5.595   0.706   1.255
   38   HD22  LEU   4          HD22      LEU   4   4.178   1.529   0.604
   39   HD23  LEU   4          HD23      LEU   4   5.616   1.325  -0.392
   40    H    SER   5           HN       SER   5   1.399  -2.840   2.043
   41    HA   SER   5           HA       SER   5  -0.824  -1.262   2.731
   42    HB2  SER   5           HB2      SER   5  -0.759  -3.660   1.799
   43    HB3  SER   5           HB1      SER   5  -0.545  -4.171   3.470
   44    HG   SER   5           HG       SER   5  -2.782  -3.456   2.209
   45    H    TYR   6           HN       TYR   6   1.358  -3.211   4.765
   46    HA   TYR   6           HA       TYR   6   0.012  -2.629   7.210
   47    HB2  TYR   6           HB2      TYR   6   2.842  -3.552   6.664
   48    HB3  TYR   6           HB1      TYR   6   2.135  -3.423   8.274
   49    HD1  TYR   6           HD2      TYR   6  -0.286  -4.562   8.487
   50    HD2  TYR   6           HD1      TYR   6   2.706  -5.631   5.597
   51    HE1  TYR   6           HE2      TYR   6  -1.347  -6.788   8.208
   52    HE2  TYR   6           HE1      TYR   6   1.643  -7.850   5.314
   53    HH   TYR   6           HH       TYR   6  -0.427  -8.950   5.661
   54    H    GLY   7           HN       GLY   7   2.707  -1.152   5.472
   55    HA2  GLY   7           HA2      GLY   7   3.075   0.874   7.563
   56    HA3  GLY   7           HA1      GLY   7   4.088   0.637   6.143
   57    H    ALA   8           HN       ALA   8   0.782   0.562   5.399
   58    HA   ALA   8           HA       ALA   8   0.841   2.757   3.677
   59    HB1  ALA   8           HB1      ALA   8  -1.558   2.543   3.546
   60    HB2  ALA   8           HB2      ALA   8  -1.614   1.689   5.089
   61    HB3  ALA   8           HB3      ALA   8  -0.875   0.922   3.682
   62    H    GLY   9           HN       GLY   9   1.910   4.391   4.956
   63    HA2  GLY   9           HA2      GLY   9   1.634   6.553   5.824
   64    HA3  GLY   9           HA1      GLY   9   0.006   6.121   6.344
   65    H    VAL  10           HN       VAL  10   1.575   3.573   7.319
   66    HA   VAL  10           HA       VAL  10   2.324   2.756   9.323
   67    HB   VAL  10           HB       VAL  10   3.593   5.490   9.536
   68   HG11  VAL  10          HG11      VAL  10   3.884   2.924  11.090
   69   HG12  VAL  10          HG12      VAL  10   3.767   4.578  11.690
   70   HG13  VAL  10          HG13      VAL  10   5.256   4.021  10.931
   71   HG21  VAL  10          HG21      VAL  10   4.677   2.860   8.477
   72   HG22  VAL  10          HG22      VAL  10   5.567   4.379   8.579
   73   HG23  VAL  10          HG23      VAL  10   4.198   4.231   7.477
   74    H    ALA  11           HN       ALA  11   0.188   5.301   9.124
   75    HA   ALA  11           HA       ALA  11  -0.193   5.636  12.007
   76    HB1  ALA  11           HB1      ALA  11  -0.441   7.665  10.800
   77    HB2  ALA  11           HB2      ALA  11  -2.083   7.156  11.194
   78    HB3  ALA  11           HB3      ALA  11  -1.447   6.901   9.568
   79    H    SER  12           HN       SER  12  -1.007   3.395   9.756
   80    HA   SER  12           HA       SER  12  -3.782   2.980  10.537
   81    HB2  SER  12           HB2      SER  12  -3.785   1.207   8.926
   82    HB3  SER  12           HB1      SER  12  -2.905   2.554   8.213
   83    HG   SER  12           HG       SER  12  -1.975   0.103   9.204
   84    H    LEU  13           HN       LEU  13  -0.797   2.191  11.873
   85    HA   LEU  13           HA       LEU  13  -1.846  -0.273  13.132
   86    HB2  LEU  13           HB2      LEU  13   0.743   0.448  12.082
   87    HB3  LEU  13           HB1      LEU  13   0.915   0.100  13.796
   88    HG   LEU  13           HG       LEU  13   1.262  -1.927  12.481
   89   HD11  LEU  13          HD11      LEU  13  -1.450  -2.489  13.607
   90   HD12  LEU  13          HD12      LEU  13  -0.252  -1.807  14.707
   91   HD13  LEU  13          HD13      LEU  13   0.082  -3.317  13.867
   92   HD21  LEU  13          HD21      LEU  13  -0.194  -2.738  10.855
   93   HD22  LEU  13          HD22      LEU  13  -0.382  -1.002  10.624
   94   HD23  LEU  13          HD23      LEU  13  -1.595  -1.909  11.530
   95    HA   PRO  14           HA       PRO  14  -0.126   2.431  16.834
   96    HB2  PRO  14           HB2      PRO  14  -0.570   5.138  15.631
   97    HB3  PRO  14           HB1      PRO  14   0.729   4.581  16.704
   98    HG2  PRO  14           HG2      PRO  14   1.163   4.981  14.107
   99    HG3  PRO  14           HG1      PRO  14   1.935   3.640  14.974
  100    HD2  PRO  14           HD2      PRO  14  -0.387   3.568  13.075
  101    HD3  PRO  14           HD1      PRO  14   0.923   2.395  13.303
  102    H    LEU  15           HN       LEU  15  -2.533   4.085  14.770
  103    HA   LEU  15           HA       LEU  15  -4.282   4.797  16.872
  104    HB2  LEU  15           HB2      LEU  15  -4.745   4.423  13.910
  105    HB3  LEU  15           HB1      LEU  15  -5.972   5.048  15.008
  106    HG   LEU  15           HG       LEU  15  -3.213   6.262  14.670
  107   HD11  LEU  15          HD11      LEU  15  -4.302   6.610  12.589
  108   HD12  LEU  15          HD12      LEU  15  -4.586   8.096  13.495
  109   HD13  LEU  15          HD13      LEU  15  -5.865   6.888  13.362
  110   HD21  LEU  15          HD21      LEU  15  -4.689   8.262  15.683
  111   HD22  LEU  15          HD22      LEU  15  -3.920   7.076  16.729
  112   HD23  LEU  15          HD23      LEU  15  -5.631   6.922  16.334
  113    H    LEU  16           HN       LEU  16  -4.209   2.003  14.697
  114    HA   LEU  16           HA       LEU  16  -6.624   0.834  15.572
  115    HB2  LEU  16           HB2      LEU  16  -4.170  -0.214  14.183
  116    HB3  LEU  16           HB1      LEU  16  -5.440  -1.323  14.686
  117    HG   LEU  16           HG       LEU  16  -5.626  -0.453  12.303
  118   HD11  LEU  16          HD11      LEU  16  -7.589  -1.243  13.890
  119   HD12  LEU  16          HD12      LEU  16  -7.949  -0.492  12.339
  120   HD13  LEU  16          HD13      LEU  16  -8.064   0.456  13.819
  121   HD21  LEU  16          HD21      LEU  16  -6.535   2.112  13.629
  122   HD22  LEU  16          HD22      LEU  16  -6.296   1.810  11.910
  123   HD23  LEU  16          HD23      LEU  16  -4.906   1.894  12.992
  124    H    ASN  17           HN       ASN  17  -3.283   0.490  16.695
  125    HA   ASN  17           HA       ASN  17  -3.715  -1.630  18.498
  126    HB2  ASN  17           HB2      ASN  17  -1.475  -0.854  17.801
  127    HB3  ASN  17           HB1      ASN  17  -1.721   0.636  18.711
  128   HD21  ASN  17          HD21      ASN  17   0.080   0.083  20.168
  129   HD22  ASN  17          HD22      ASN  17  -0.101  -1.125  21.345
  130    H    VAL  18           HN       VAL  18  -3.961   1.888  18.904
  131    HA   VAL  18           HA       VAL  18  -4.467   1.871  21.690
  132    HB   VAL  18           HB       VAL  18  -5.241   3.843  19.526
  133   HG11  VAL  18          HG11      VAL  18  -5.528   3.952  22.534
  134   HG12  VAL  18          HG12      VAL  18  -6.763   4.249  21.311
  135   HG13  VAL  18          HG13      VAL  18  -5.458   5.411  21.544
  136   HG21  VAL  18          HG21      VAL  18  -3.330   5.100  20.335
  137   HG22  VAL  18          HG22      VAL  18  -2.797   3.455  19.989
  138   HG23  VAL  18          HG23      VAL  18  -3.083   3.956  21.655
  139    H    ILE  19           HN       ILE  19  -6.629   1.889  18.873
  140    HA   ILE  19           HA       ILE  19  -9.062   1.870  20.326
  141    HB   ILE  19           HB       ILE  19  -8.380   0.934  17.527
  142   HG12  ILE  19          HG12      ILE  19  -9.852   3.409  18.463
  143   HG13  ILE  19          HG11      ILE  19  -8.110   3.385  18.183
  144   HG21  ILE  19          HG21      ILE  19 -10.883   1.191  17.182
  145   HG22  ILE  19          HG22      ILE  19 -11.045   1.263  18.935
  146   HG23  ILE  19          HG23      ILE  19 -10.416  -0.195  18.167
  147   HD11  ILE  19          HD11      ILE  19  -8.459   2.731  15.855
  148   HD12  ILE  19          HD12      ILE  19  -9.378   4.197  16.199
  149   HD13  ILE  19          HD13      ILE  19 -10.201   2.640  16.116
  150    H    ALA  20           HN       ALA  20  -7.045  -0.693  18.953
  151    HA   ALA  20           HA       ALA  20  -8.746  -2.860  19.649
  152    HB1  ALA  20           HB1      ALA  20  -5.741  -2.950  19.331
  153    HB2  ALA  20           HB2      ALA  20  -6.862  -2.911  17.969
  154    HB3  ALA  20           HB3      ALA  20  -6.888  -4.270  19.094
  155    HN1  NH2  21           H2       NH2  21  -6.031  -2.611  22.729
  156    HN2  NH2  21           H1       NH2  21  -5.553  -2.139  21.170
  Start of MODEL   10
    1    H1   ACE   0           HA2      ACE   0   7.985  -7.441   2.695
    2    H2   ACE   0           HA3      ACE   0   6.770  -7.128   3.934
    3    H3   ACE   0           HA1      ACE   0   6.931  -6.033   2.560
    4    H    LEU   1           HN       LEU   1   4.827  -8.086   3.723
    5    HA   LEU   1           HA       LEU   1   4.338 -10.000   1.705
    6    HB2  LEU   1           HB2      LEU   1   2.498  -8.683   3.710
    7    HB3  LEU   1           HB1      LEU   1   1.998 -10.002   2.656
    8    HG   LEU   1           HG       LEU   1   4.376 -10.168   4.527
    9   HD11  LEU   1          HD11      LEU   1   2.789 -11.626   5.892
   10   HD12  LEU   1          HD12      LEU   1   1.480 -10.950   4.921
   11   HD13  LEU   1          HD13      LEU   1   2.464  -9.893   5.934
   12   HD21  LEU   1          HD21      LEU   1   4.693 -11.892   2.986
   13   HD22  LEU   1          HD22      LEU   1   2.968 -12.088   2.679
   14   HD23  LEU   1          HD23      LEU   1   3.678 -12.716   4.163
   15    H    GLY   2           HN       GLY   2   3.166  -6.689   2.172
   16    HA2  GLY   2           HA2      GLY   2   3.021  -5.715  -0.299
   17    HA3  GLY   2           HA1      GLY   2   1.621  -6.782  -0.309
   18    H    LEU   3           HN       LEU   3   1.493  -6.170   2.711
   19    HA   LEU   3           HA       LEU   3  -0.333  -3.906   2.441
   20    HB2  LEU   3           HB2      LEU   3   0.320  -5.669   4.814
   21    HB3  LEU   3           HB1      LEU   3  -0.934  -4.432   4.781
   22    HG   LEU   3           HG       LEU   3  -0.819  -6.829   2.924
   23   HD11  LEU   3          HD11      LEU   3  -1.275  -7.477   5.257
   24   HD12  LEU   3          HD12      LEU   3  -2.721  -7.663   4.265
   25   HD13  LEU   3          HD13      LEU   3  -2.565  -6.277   5.345
   26   HD21  LEU   3          HD21      LEU   3  -3.340  -6.015   2.700
   27   HD22  LEU   3          HD22      LEU   3  -2.078  -5.249   1.743
   28   HD23  LEU   3          HD23      LEU   3  -2.670  -4.463   3.208
   29    H    LEU   4           HN       LEU   4   2.904  -4.222   2.915
   30    HA   LEU   4           HA       LEU   4   3.445  -2.519   5.094
   31    HB2  LEU   4           HB2      LEU   4   5.177  -3.928   4.109
   32    HB3  LEU   4           HB1      LEU   4   5.054  -3.055   2.585
   33    HG   LEU   4           HG       LEU   4   5.859  -1.003   3.646
   34   HD11  LEU   4          HD11      LEU   4   5.043  -1.020   5.853
   35   HD12  LEU   4          HD12      LEU   4   6.762  -1.323   6.081
   36   HD13  LEU   4          HD13      LEU   4   5.614  -2.661   6.155
   37   HD21  LEU   4          HD21      LEU   4   8.141  -1.737   4.179
   38   HD22  LEU   4          HD22      LEU   4   7.512  -2.649   2.806
   39   HD23  LEU   4          HD23      LEU   4   7.569  -3.391   4.405
   40    H    SER   5           HN       SER   5   2.961  -1.883   1.647
   41    HA   SER   5           HA       SER   5   3.362   0.972   1.942
   42    HB2  SER   5           HB2      SER   5   4.018  -0.019  -0.148
   43    HB3  SER   5           HB1      SER   5   2.431  -0.754  -0.360
   44    HG   SER   5           HG       SER   5   3.277   1.845  -0.784
   45    H    TYR   6           HN       TYR   6   0.976  -0.907   3.013
   46    HA   TYR   6           HA       TYR   6  -1.414   0.143   1.977
   47    HB2  TYR   6           HB2      TYR   6  -1.323  -1.856   3.411
   48    HB3  TYR   6           HB1      TYR   6  -0.845  -0.851   4.780
   49    HD1  TYR   6           HD1      TYR   6  -2.420   0.726   5.808
   50    HD2  TYR   6           HD2      TYR   6  -3.592  -1.819   2.553
   51    HE1  TYR   6           HE1      TYR   6  -4.806   1.201   6.296
   52    HE2  TYR   6           HE2      TYR   6  -5.974  -1.347   3.038
   53    HH   TYR   6           HH       TYR   6  -7.178  -0.413   5.615
   54    H    GLY   7           HN       GLY   7   0.540   1.171   4.769
   55    HA2  GLY   7           HA2      GLY   7  -0.827   3.810   4.682
   56    HA3  GLY   7           HA1      GLY   7  -0.457   3.002   6.203
   57    H    ALA   8           HN       ALA   8   2.073   2.071   4.531
   58    HA   ALA   8           HA       ALA   8   4.303   2.655   4.672
   59    HB1  ALA   8           HB1      ALA   8   3.024   5.137   3.518
   60    HB2  ALA   8           HB2      ALA   8   3.799   3.815   2.643
   61    HB3  ALA   8           HB3      ALA   8   4.770   4.913   3.623
   62    H    GLY   9           HN       GLY   9   2.364   3.474   6.958
   63    HA2  GLY   9           HA2      GLY   9   3.900   4.118   8.998
   64    HA3  GLY   9           HA1      GLY   9   3.875   5.679   8.180
   65    H    VAL  10           HN       VAL  10   1.117   5.218   7.201
   66    HA   VAL  10           HA       VAL  10  -0.289   6.463   9.320
   67    HB   VAL  10           HB       VAL  10  -1.303   5.110   6.807
   68   HG11  VAL  10          HG11      VAL  10  -3.176   5.204   8.257
   69   HG12  VAL  10          HG12      VAL  10  -3.304   6.676   7.295
   70   HG13  VAL  10          HG13      VAL  10  -2.677   6.751   8.943
   71   HG21  VAL  10          HG21      VAL  10   0.224   7.064   6.504
   72   HG22  VAL  10          HG22      VAL  10  -0.865   8.036   7.494
   73   HG23  VAL  10          HG23      VAL  10  -1.414   7.397   5.944
   74    H    ALA  11           HN       ALA  11  -0.247   3.137   8.100
   75    HA   ALA  11           HA       ALA  11  -2.284   2.034   9.645
   76    HB1  ALA  11           HB1      ALA  11   0.321   0.679   8.941
   77    HB2  ALA  11           HB2      ALA  11  -1.015   0.886   7.811
   78    HB3  ALA  11           HB3      ALA  11  -1.229  -0.096   9.262
   79    H    SER  12           HN       SER  12   0.462   3.565  10.741
   80    HA   SER  12           HA       SER  12   0.982   1.895  13.052
   81    HB2  SER  12           HB2      SER  12   2.729   3.409  13.557
   82    HB3  SER  12           HB1      SER  12   2.718   3.278  11.801
   83    HG   SER  12           HG       SER  12   2.756   5.429  12.239
   84    H    LEU  13           HN       LEU  13  -1.686   3.393  12.563
   85    HA   LEU  13           HA       LEU  13  -1.911   4.352  15.330
   86    HB2  LEU  13           HB2      LEU  13  -1.915   6.086  13.028
   87    HB3  LEU  13           HB1      LEU  13  -3.526   6.118  13.736
   88    HG   LEU  13           HG       LEU  13  -1.029   6.481  15.414
   89   HD11  LEU  13          HD11      LEU  13  -0.885   8.291  13.892
   90   HD12  LEU  13          HD12      LEU  13  -1.734   8.963  15.284
   91   HD13  LEU  13          HD13      LEU  13  -2.635   8.497  13.840
   92   HD21  LEU  13          HD21      LEU  13  -2.636   7.516  16.970
   93   HD22  LEU  13          HD22      LEU  13  -3.154   5.881  16.565
   94   HD23  LEU  13          HD23      LEU  13  -3.938   7.268  15.807
   95    HA   PRO  14           HA       PRO  14  -6.384   3.397  13.631
   96    HB2  PRO  14           HB2      PRO  14  -5.640   1.633  11.327
   97    HB3  PRO  14           HB1      PRO  14  -6.981   2.787  11.474
   98    HG2  PRO  14           HG2      PRO  14  -4.854   3.365  10.001
   99    HG3  PRO  14           HG1      PRO  14  -5.637   4.609  10.994
  100    HD2  PRO  14           HD2      PRO  14  -3.094   3.106  11.519
  101    HD3  PRO  14           HD1      PRO  14  -3.473   4.811  11.829
  102    H    LEU  15           HN       LEU  15  -3.954   0.878  12.874
  103    HA   LEU  15           HA       LEU  15  -5.410  -1.267  14.008
  104    HB2  LEU  15           HB2      LEU  15  -2.460  -0.897  13.467
  105    HB3  LEU  15           HB1      LEU  15  -3.152  -2.411  14.038
  106    HG   LEU  15           HG       LEU  15  -4.114  -0.995  11.535
  107   HD11  LEU  15          HD11      LEU  15  -1.748  -1.572  11.261
  108   HD12  LEU  15          HD12      LEU  15  -2.747  -2.653  10.291
  109   HD13  LEU  15          HD13      LEU  15  -2.067  -3.217  11.816
  110   HD21  LEU  15          HD21      LEU  15  -4.605  -3.695  12.804
  111   HD22  LEU  15          HD22      LEU  15  -4.781  -3.493  11.064
  112   HD23  LEU  15          HD23      LEU  15  -5.778  -2.548  12.159
  113    H    LEU  16           HN       LEU  16  -2.897   0.860  15.312
  114    HA   LEU  16           HA       LEU  16  -2.687  -0.406  17.837
  115    HB2  LEU  16           HB2      LEU  16  -2.207   2.519  17.246
  116    HB3  LEU  16           HB1      LEU  16  -1.500   1.557  18.542
  117    HG   LEU  16           HG       LEU  16  -1.039   1.167  15.569
  118   HD11  LEU  16          HD11      LEU  16   1.099   2.080  15.890
  119   HD12  LEU  16          HD12      LEU  16   1.057   1.828  17.635
  120   HD13  LEU  16          HD13      LEU  16   0.093   3.112  16.906
  121   HD21  LEU  16          HD21      LEU  16  -0.911  -1.009  16.473
  122   HD22  LEU  16          HD22      LEU  16  -0.229  -0.438  17.997
  123   HD23  LEU  16          HD23      LEU  16   0.761  -0.453  16.537
  124    H    ASN  17           HN       ASN  17  -4.731   2.167  16.577
  125    HA   ASN  17           HA       ASN  17  -5.890   3.007  18.998
  126    HB2  ASN  17           HB2      ASN  17  -6.908   3.027  16.153
  127    HB3  ASN  17           HB1      ASN  17  -7.791   3.758  17.494
  128   HD21  ASN  17          HD21      ASN  17  -6.776   5.337  15.320
  129   HD22  ASN  17          HD22      ASN  17  -5.551   6.343  15.927
  130    H    VAL  18           HN       VAL  18  -6.806   0.439  16.725
  131    HA   VAL  18           HA       VAL  18  -9.238  -0.280  17.981
  132    HB   VAL  18           HB       VAL  18  -7.308  -1.895  16.296
  133   HG11  VAL  18          HG11      VAL  18 -10.063  -2.544  17.368
  134   HG12  VAL  18          HG12      VAL  18  -8.583  -3.489  17.541
  135   HG13  VAL  18          HG13      VAL  18  -9.371  -3.364  15.968
  136   HG21  VAL  18          HG21      VAL  18  -8.750  -1.368  14.476
  137   HG22  VAL  18          HG22      VAL  18  -8.532   0.155  15.338
  138   HG23  VAL  18          HG23      VAL  18 -10.017  -0.774  15.550
  139    H    ILE  19           HN       ILE  19  -5.920  -1.492  18.327
  140    HA   ILE  19           HA       ILE  19  -6.483  -3.464  20.280
  141    HB   ILE  19           HB       ILE  19  -3.957  -1.909  19.670
  142   HG12  ILE  19          HG12      ILE  19  -4.738  -3.323  17.821
  143   HG13  ILE  19          HG11      ILE  19  -3.272  -3.991  18.528
  144   HG21  ILE  19          HG21      ILE  19  -4.479  -4.201  21.560
  145   HG22  ILE  19          HG22      ILE  19  -3.635  -2.685  21.877
  146   HG23  ILE  19          HG23      ILE  19  -2.879  -3.919  20.870
  147   HD11  ILE  19          HD11      ILE  19  -5.038  -5.371  19.996
  148   HD12  ILE  19          HD12      ILE  19  -4.555  -5.912  18.393
  149   HD13  ILE  19          HD13      ILE  19  -6.072  -5.044  18.607
  150    H    ALA  20           HN       ALA  20  -5.482  -0.074  20.499
  151    HA   ALA  20           HA       ALA  20  -5.509  -0.093  23.397
  152    HB1  ALA  20           HB1      ALA  20  -3.920   1.371  22.407
  153    HB2  ALA  20           HB2      ALA  20  -5.187   2.415  23.051
  154    HB3  ALA  20           HB3      ALA  20  -5.124   2.068  21.323
  155    HN1  NH2  21           H2       NH2  21  -9.097   1.028  21.945
  156    HN2  NH2  21           H1       NH2  21  -7.905   0.348  20.946
  Start of MODEL   11
    1    H1   ACE   0           HA2      ACE   0   2.088  -2.942  -5.741
    2    H2   ACE   0           HA3      ACE   0   3.192  -4.119  -6.456
    3    H3   ACE   0           HA1      ACE   0   3.787  -2.530  -5.975
    4    H    LEU   1           HN       LEU   1   4.912  -4.951  -5.112
    5    HA   LEU   1           HA       LEU   1   4.001  -5.823  -2.589
    6    HB2  LEU   1           HB2      LEU   1   6.766  -5.867  -3.826
    7    HB3  LEU   1           HB1      LEU   1   6.329  -6.700  -2.335
    8    HG   LEU   1           HG       LEU   1   4.331  -7.586  -4.048
    9   HD11  LEU   1          HD11      LEU   1   6.866  -7.587  -5.700
   10   HD12  LEU   1          HD12      LEU   1   5.574  -6.413  -5.935
   11   HD13  LEU   1          HD13      LEU   1   5.260  -8.128  -6.182
   12   HD21  LEU   1          HD21      LEU   1   7.051  -8.752  -3.401
   13   HD22  LEU   1          HD22      LEU   1   5.829  -9.659  -4.293
   14   HD23  LEU   1          HD23      LEU   1   5.500  -9.123  -2.646
   15    H    GLY   2           HN       GLY   2   6.295  -3.306  -3.548
   16    HA2  GLY   2           HA2      GLY   2   7.188  -2.637  -0.944
   17    HA3  GLY   2           HA1      GLY   2   7.287  -1.601  -2.370
   18    H    LEU   3           HN       LEU   3   4.475  -1.640  -2.927
   19    HA   LEU   3           HA       LEU   3   3.682   0.558  -1.358
   20    HB2  LEU   3           HB2      LEU   3   2.069  -1.206  -3.202
   21    HB3  LEU   3           HB1      LEU   3   1.483   0.299  -2.496
   22    HG   LEU   3           HG       LEU   3   3.960   0.060  -4.233
   23   HD11  LEU   3          HD11      LEU   3   1.788  -0.387  -5.414
   24   HD12  LEU   3          HD12      LEU   3   2.632   1.043  -6.006
   25   HD13  LEU   3          HD13      LEU   3   1.247   1.219  -4.930
   26   HD21  LEU   3          HD21      LEU   3   4.352   2.010  -3.027
   27   HD22  LEU   3          HD22      LEU   3   2.637   2.321  -2.752
   28   HD23  LEU   3          HD23      LEU   3   3.359   2.674  -4.321
   29    H    LEU   4           HN       LEU   4   3.015  -2.887  -1.149
   30    HA   LEU   4           HA       LEU   4   0.896  -2.741   0.723
   31    HB2  LEU   4           HB2      LEU   4   2.946  -4.903   0.205
   32    HB3  LEU   4           HB1      LEU   4   1.593  -5.094   1.315
   33    HG   LEU   4           HG       LEU   4   1.305  -4.365  -1.617
   34   HD11  LEU   4          HD11      LEU   4   0.878  -7.035  -0.241
   35   HD12  LEU   4          HD12      LEU   4   2.245  -6.640  -1.281
   36   HD13  LEU   4          HD13      LEU   4   0.614  -6.693  -1.950
   37   HD21  LEU   4          HD21      LEU   4  -0.619  -4.821   0.655
   38   HD22  LEU   4          HD22      LEU   4  -1.098  -5.342  -0.959
   39   HD23  LEU   4          HD23      LEU   4  -0.699  -3.655  -0.665
   40    H    SER   5           HN       SER   5   4.409  -2.860   1.118
   41    HA   SER   5           HA       SER   5   4.289  -2.967   3.994
   42    HB2  SER   5           HB2      SER   5   6.708  -2.689   3.892
   43    HB3  SER   5           HB1      SER   5   6.197  -3.884   2.703
   44    HG   SER   5           HG       SER   5   7.292  -2.624   1.406
   45    H    TYR   6           HN       TYR   6   3.602  -0.575   1.828
   46    HA   TYR   6           HA       TYR   6   4.856   1.733   2.826
   47    HB2  TYR   6           HB2      TYR   6   3.460   1.470   0.723
   48    HB3  TYR   6           HB1      TYR   6   2.038   1.583   1.748
   49    HD1  TYR   6           HD2      TYR   6   1.846   3.670   3.284
   50    HD2  TYR   6           HD1      TYR   6   4.535   3.396  -0.055
   51    HE1  TYR   6           HE2      TYR   6   2.017   6.142   3.214
   52    HE2  TYR   6           HE1      TYR   6   4.700   5.858  -0.133
   53    HH   TYR   6           HH       TYR   6   3.387   7.816   0.580
   54    H    GLY   7           HN       GLY   7   1.755   0.221   3.679
   55    HA2  GLY   7           HA2      GLY   7   1.770   0.606   6.389
   56    HA3  GLY   7           HA1      GLY   7   1.149   2.125   5.748
   57    H    ALA   8           HN       ALA   8   0.692  -1.364   5.117
   58    HA   ALA   8           HA       ALA   8  -1.958  -1.123   4.187
   59    HB1  ALA   8           HB1      ALA   8  -0.854  -3.567   5.569
   60    HB2  ALA   8           HB2      ALA   8  -0.364  -3.110   3.937
   61    HB3  ALA   8           HB3      ALA   8  -2.053  -3.489   4.277
   62    H    GLY   9           HN       GLY   9  -0.621  -1.635   7.419
   63    HA2  GLY   9           HA2      GLY   9  -2.812  -0.491   8.751
   64    HA3  GLY   9           HA1      GLY   9  -3.030  -2.238   8.756
   65    H    VAL  10           HN       VAL  10   0.142  -0.803   8.754
   66    HA   VAL  10           HA       VAL  10   0.988  -2.236  11.036
   67    HB   VAL  10           HB       VAL  10   3.013  -0.854  10.883
   68   HG11  VAL  10          HG11      VAL  10   3.625  -1.497   8.569
   69   HG12  VAL  10          HG12      VAL  10   1.923  -1.793   8.217
   70   HG13  VAL  10          HG13      VAL  10   2.765  -2.792   9.401
   71   HG21  VAL  10          HG21      VAL  10   1.301   0.709   8.948
   72   HG22  VAL  10          HG22      VAL  10   3.062   0.780   8.897
   73   HG23  VAL  10          HG23      VAL  10   2.199   1.313  10.340
   74    H    ALA  11           HN       ALA  11   0.068   1.161  10.569
   75    HA   ALA  11           HA       ALA  11   0.320   1.700  13.440
   76    HB1  ALA  11           HB1      ALA  11  -0.363   3.425  11.053
   77    HB2  ALA  11           HB2      ALA  11   1.100   3.475  12.038
   78    HB3  ALA  11           HB3      ALA  11  -0.438   4.010  12.715
   79    H    SER  12           HN       SER  12  -1.885   0.296  11.469
   80    HA   SER  12           HA       SER  12  -4.287   1.521  12.578
   81    HB2  SER  12           HB2      SER  12  -5.495   0.048  11.105
   82    HB3  SER  12           HB1      SER  12  -4.157   0.755  10.206
   83    HG   SER  12           HG       SER  12  -4.489  -1.852  11.201
   84    H    LEU  13           HN       LEU  13  -2.104  -0.741  13.661
   85    HA   LEU  13           HA       LEU  13  -4.155  -2.304  15.116
   86    HB2  LEU  13           HB2      LEU  13  -1.716  -3.027  13.765
   87    HB3  LEU  13           HB1      LEU  13  -1.533  -3.436  15.466
   88    HG   LEU  13           HG       LEU  13  -3.980  -4.242  13.864
   89   HD11  LEU  13          HD11      LEU  13  -2.797  -6.519  13.834
   90   HD12  LEU  13          HD12      LEU  13  -1.321  -5.635  14.221
   91   HD13  LEU  13          HD13      LEU  13  -2.178  -5.301  12.718
   92   HD21  LEU  13          HD21      LEU  13  -2.717  -5.243  16.441
   93   HD22  LEU  13          HD22      LEU  13  -4.151  -5.934  15.681
   94   HD23  LEU  13          HD23      LEU  13  -4.196  -4.293  16.321
   95    HA   PRO  14           HA       PRO  14  -1.299  -0.993  18.633
   96    HB2  PRO  14           HB2      PRO  14   0.885   0.554  18.235
   97    HB3  PRO  14           HB1      PRO  14   0.896  -1.195  17.929
   98    HG2  PRO  14           HG2      PRO  14   0.729   1.061  15.990
   99    HG3  PRO  14           HG1      PRO  14   1.551  -0.500  15.837
  100    HD2  PRO  14           HD2      PRO  14  -0.968   0.123  14.748
  101    HD3  PRO  14           HD1      PRO  14  -0.324  -1.517  14.968
  102    H    LEU  15           HN       LEU  15  -0.751   1.895  16.586
  103    HA   LEU  15           HA       LEU  15  -1.438   3.751  18.587
  104    HB2  LEU  15           HB2      LEU  15  -1.393   3.995  15.576
  105    HB3  LEU  15           HB1      LEU  15  -1.643   5.362  16.659
  106    HG   LEU  15           HG       LEU  15   0.767   3.523  16.786
  107   HD11  LEU  15          HD11      LEU  15   1.965   5.490  15.752
  108   HD12  LEU  15          HD12      LEU  15   0.386   6.205  15.429
  109   HD13  LEU  15          HD13      LEU  15   0.835   4.678  14.670
  110   HD21  LEU  15          HD21      LEU  15   1.614   5.758  17.976
  111   HD22  LEU  15          HD22      LEU  15   0.703   4.555  18.879
  112   HD23  LEU  15          HD23      LEU  15  -0.108   5.997  18.270
  113    H    LEU  16           HN       LEU  16  -3.362   2.341  15.969
  114    HA   LEU  16           HA       LEU  16  -5.672   3.896  16.373
  115    HB2  LEU  16           HB2      LEU  16  -5.314   2.588  14.347
  116    HB3  LEU  16           HB1      LEU  16  -5.394   1.092  15.271
  117    HG   LEU  16           HG       LEU  16  -7.731   1.568  15.873
  118   HD11  LEU  16          HD11      LEU  16  -8.784   3.534  14.471
  119   HD12  LEU  16          HD12      LEU  16  -7.136   4.160  14.450
  120   HD13  LEU  16          HD13      LEU  16  -7.962   3.900  15.987
  121   HD21  LEU  16          HD21      LEU  16  -7.053   1.780  12.926
  122   HD22  LEU  16          HD22      LEU  16  -8.682   1.469  13.529
  123   HD23  LEU  16          HD23      LEU  16  -7.390   0.310  13.840
  124    H    ASN  17           HN       ASN  17  -4.650   0.795  17.765
  125    HA   ASN  17           HA       ASN  17  -7.049   0.239  19.145
  126    HB2  ASN  17           HB2      ASN  17  -4.185  -0.611  19.528
  127    HB3  ASN  17           HB1      ASN  17  -5.438  -1.116  20.664
  128   HD21  ASN  17          HD21      ASN  17  -4.170  -3.111  19.180
  129   HD22  ASN  17          HD22      ASN  17  -5.230  -3.716  17.999
  130    H    VAL  18           HN       VAL  18  -4.152   2.058  20.091
  131    HA   VAL  18           HA       VAL  18  -4.894   2.498  22.786
  132    HB   VAL  18           HB       VAL  18  -3.164   4.145  20.924
  133   HG11  VAL  18          HG11      VAL  18  -3.825   5.617  22.678
  134   HG12  VAL  18          HG12      VAL  18  -2.247   4.996  23.165
  135   HG13  VAL  18          HG13      VAL  18  -3.714   4.341  23.891
  136   HG21  VAL  18          HG21      VAL  18  -2.376   2.269  23.169
  137   HG22  VAL  18          HG22      VAL  18  -1.325   2.990  21.951
  138   HG23  VAL  18          HG23      VAL  18  -2.493   1.753  21.487
  139    H    ILE  19           HN       ILE  19  -5.388   4.404  19.837
  140    HA   ILE  19           HA       ILE  19  -6.765   6.563  21.044
  141    HB   ILE  19           HB       ILE  19  -6.811   5.466  18.222
  142   HG12  ILE  19          HG12      ILE  19  -5.491   7.954  19.335
  143   HG13  ILE  19          HG11      ILE  19  -4.662   6.401  19.213
  144   HG21  ILE  19          HG21      ILE  19  -8.836   6.714  18.451
  145   HG22  ILE  19          HG22      ILE  19  -7.680   7.820  17.707
  146   HG23  ILE  19          HG23      ILE  19  -8.045   7.952  19.428
  147   HD11  ILE  19          HD11      ILE  19  -4.266   7.920  17.245
  148   HD12  ILE  19          HD12      ILE  19  -5.984   7.793  16.868
  149   HD13  ILE  19          HD13      ILE  19  -4.960   6.357  16.812
  150    H    ALA  20           HN       ALA  20  -7.852   3.550  19.536
  151    HA   ALA  20           HA       ALA  20 -10.652   4.126  20.040
  152    HB1  ALA  20           HB1      ALA  20  -9.331   1.564  19.113
  153    HB2  ALA  20           HB2      ALA  20  -9.935   2.836  18.050
  154    HB3  ALA  20           HB3      ALA  20 -11.057   1.926  19.062
  155    HN1  NH2  21           H2       NH2  21  -9.156   2.340  23.231
  156    HN2  NH2  21           H1       NH2  21  -8.273   3.314  22.157
  Start of MODEL   12
    1    H1   ACE   0           HA2      ACE   0   4.734   0.030  -3.865
    2    H2   ACE   0           HA3      ACE   0   6.244   0.740  -3.296
    3    H3   ACE   0           HA1      ACE   0   5.020   0.232  -2.135
    4    H    LEU   1           HN       LEU   1   7.384  -0.765  -1.615
    5    HA   LEU   1           HA       LEU   1   8.176  -3.116  -2.961
    6    HB2  LEU   1           HB2      LEU   1   8.559  -2.214  -0.101
    7    HB3  LEU   1           HB1      LEU   1   9.343  -3.635  -0.780
    8    HG   LEU   1           HG       LEU   1   9.593  -0.863  -1.983
    9   HD11  LEU   1          HD11      LEU   1  11.801  -0.770  -0.858
   10   HD12  LEU   1          HD12      LEU   1  11.453  -2.310  -0.071
   11   HD13  LEU   1          HD13      LEU   1  10.488  -0.887   0.315
   12   HD21  LEU   1          HD21      LEU   1  10.258  -2.398  -3.647
   13   HD22  LEU   1          HD22      LEU   1  10.902  -3.545  -2.475
   14   HD23  LEU   1          HD23      LEU   1  11.783  -2.063  -2.832
   15    H    GLY   2           HN       GLY   2   5.977  -2.522  -0.264
   16    HA2  GLY   2           HA2      GLY   2   4.114  -4.433  -0.711
   17    HA3  GLY   2           HA1      GLY   2   5.383  -5.323   0.129
   18    H    LEU   3           HN       LEU   3   6.290  -3.290   1.819
   19    HA   LEU   3           HA       LEU   3   4.477  -3.527   3.976
   20    HB2  LEU   3           HB2      LEU   3   6.877  -1.728   3.580
   21    HB3  LEU   3           HB1      LEU   3   6.020  -1.914   5.111
   22    HG   LEU   3           HG       LEU   3   7.257  -4.198   3.549
   23   HD11  LEU   3          HD11      LEU   3   8.957  -4.190   5.397
   24   HD12  LEU   3          HD12      LEU   3   8.283  -2.657   5.948
   25   HD13  LEU   3          HD13      LEU   3   9.026  -2.768   4.353
   26   HD21  LEU   3          HD21      LEU   3   5.708  -5.292   4.870
   27   HD22  LEU   3          HD22      LEU   3   5.654  -4.013   6.081
   28   HD23  LEU   3          HD23      LEU   3   6.995  -5.157   6.064
   29    H    LEU   4           HN       LEU   4   5.127  -0.884   1.696
   30    HA   LEU   4           HA       LEU   4   3.552   1.067   3.001
   31    HB2  LEU   4           HB2      LEU   4   4.224   0.693   0.073
   32    HB3  LEU   4           HB1      LEU   4   3.416   2.118   0.719
   33    HG   LEU   4           HG       LEU   4   6.099   1.132   1.729
   34   HD11  LEU   4          HD11      LEU   4   6.321   1.699  -0.632
   35   HD12  LEU   4          HD12      LEU   4   7.060   2.968   0.341
   36   HD13  LEU   4          HD13      LEU   4   5.470   3.223  -0.377
   37   HD21  LEU   4          HD21      LEU   4   4.391   3.579   2.203
   38   HD22  LEU   4          HD22      LEU   4   6.144   3.705   2.329
   39   HD23  LEU   4          HD23      LEU   4   5.270   2.587   3.369
   40    H    SER   5           HN       SER   5   2.745  -1.327   0.498
   41    HA   SER   5           HA       SER   5   0.009  -0.519   0.268
   42    HB2  SER   5           HB2      SER   5   1.375  -3.106  -0.494
   43    HB3  SER   5           HB1      SER   5  -0.264  -2.654  -0.955
   44    HG   SER   5           HG       SER   5   2.204  -1.552  -1.736
   45    H    TYR   6           HN       TYR   6   1.667  -3.179   1.932
   46    HA   TYR   6           HA       TYR   6  -0.636  -4.343   3.098
   47    HB2  TYR   6           HB2      TYR   6   1.378  -5.625   2.970
   48    HB3  TYR   6           HB1      TYR   6   2.296  -4.395   3.836
   49    HD1  TYR   6           HD1      TYR   6  -0.635  -6.702   4.232
   50    HD2  TYR   6           HD2      TYR   6   2.536  -4.534   6.167
   51    HE1  TYR   6           HE1      TYR   6  -1.194  -7.796   6.390
   52    HE2  TYR   6           HE2      TYR   6   1.977  -5.624   8.316
   53    HH   TYR   6           HH       TYR   6   0.557  -8.173   8.783
   54    H    GLY   7           HN       GLY   7   1.754  -2.055   4.380
   55    HA2  GLY   7           HA2      GLY   7   0.435  -1.673   6.884
   56    HA3  GLY   7           HA1      GLY   7   1.708  -0.654   6.213
   57    H    ALA   8           HN       ALA   8   0.425   0.050   3.790
   58    HA   ALA   8           HA       ALA   8  -0.854   1.793   3.011
   59    HB1  ALA   8           HB1      ALA   8  -2.851   0.338   4.754
   60    HB2  ALA   8           HB2      ALA   8  -2.571   0.098   3.029
   61    HB3  ALA   8           HB3      ALA   8  -3.281   1.607   3.608
   62    H    GLY   9           HN       GLY   9   0.417   1.879   5.897
   63    HA2  GLY   9           HA2      GLY   9   0.860   3.915   7.051
   64    HA3  GLY   9           HA1      GLY   9  -0.702   4.532   6.524
   65    H    VAL  10           HN       VAL  10  -1.809   1.775   7.270
   66    HA   VAL  10           HA       VAL  10  -2.835   2.495   9.802
   67    HB   VAL  10           HB       VAL  10  -2.745  -0.311   8.693
   68   HG11  VAL  10          HG11      VAL  10  -3.627   0.256  11.050
   69   HG12  VAL  10          HG12      VAL  10  -4.703  -0.657   9.993
   70   HG13  VAL  10          HG13      VAL  10  -4.953   1.072  10.227
   71   HG21  VAL  10          HG21      VAL  10  -4.896   0.314   7.552
   72   HG22  VAL  10          HG22      VAL  10  -3.484   1.144   6.891
   73   HG23  VAL  10          HG23      VAL  10  -4.581   1.996   7.978
   74    H    ALA  11           HN       ALA  11  -0.293   0.200   8.848
   75    HA   ALA  11           HA       ALA  11   1.476  -0.663  10.032
   76    HB1  ALA  11           HB1      ALA  11   2.373   0.552  11.812
   77    HB2  ALA  11           HB2      ALA  11   0.793   1.066  12.403
   78    HB3  ALA  11           HB3      ALA  11   1.468   1.788  10.942
   79    H    SER  12           HN       SER  12  -1.057  -1.914  10.084
   80    HA   SER  12           HA       SER  12  -2.067  -3.698  11.100
   81    HB2  SER  12           HB2      SER  12   0.006  -3.633  13.281
   82    HB3  SER  12           HB1      SER  12  -0.859  -5.015  12.615
   83    HG   SER  12           HG       SER  12   0.769  -5.205  11.315
   84    H    LEU  13           HN       LEU  13  -2.418  -0.803  11.900
   85    HA   LEU  13           HA       LEU  13  -3.509   0.455  13.497
   86    HB2  LEU  13           HB2      LEU  13  -5.248  -1.135  12.492
   87    HB3  LEU  13           HB1      LEU  13  -5.068  -2.086  13.963
   88    HG   LEU  13           HG       LEU  13  -5.469   0.277  15.150
   89   HD11  LEU  13          HD11      LEU  13  -6.972   1.718  13.895
   90   HD12  LEU  13          HD12      LEU  13  -6.984   0.590  12.542
   91   HD13  LEU  13          HD13      LEU  13  -5.516   1.484  12.931
   92   HD21  LEU  13          HD21      LEU  13  -7.740  -1.257  13.839
   93   HD22  LEU  13          HD22      LEU  13  -7.854  -0.252  15.283
   94   HD23  LEU  13          HD23      LEU  13  -6.927  -1.750  15.327
   95    HA   PRO  14           HA       PRO  14  -1.573  -1.427  17.222
   96    HB2  PRO  14           HB2      PRO  14   0.760  -0.057  17.300
   97    HB3  PRO  14           HB1      PRO  14   0.535  -1.468  16.247
   98    HG2  PRO  14           HG2      PRO  14   0.708   1.392  15.526
   99    HG3  PRO  14           HG1      PRO  14   1.017  -0.040  14.535
  100    HD2  PRO  14           HD2      PRO  14  -1.412   1.564  14.642
  101    HD3  PRO  14           HD1      PRO  14  -1.059   0.176  13.590
  102    H    LEU  15           HN       LEU  15  -0.513   1.929  16.728
  103    HA   LEU  15           HA       LEU  15  -1.136   2.765  19.350
  104    HB2  LEU  15           HB2      LEU  15  -0.632   4.321  16.807
  105    HB3  LEU  15           HB1      LEU  15  -0.789   5.072  18.394
  106    HG   LEU  15           HG       LEU  15   1.203   2.873  17.790
  107   HD11  LEU  15          HD11      LEU  15   1.606   5.881  17.744
  108   HD12  LEU  15          HD12      LEU  15   1.670   4.799  16.351
  109   HD13  LEU  15          HD13      LEU  15   2.892   4.679  17.616
  110   HD21  LEU  15          HD21      LEU  15   0.701   4.737  20.116
  111   HD22  LEU  15          HD22      LEU  15   2.325   4.119  19.820
  112   HD23  LEU  15          HD23      LEU  15   1.004   3.000  20.129
  113    H    LEU  16           HN       LEU  16  -2.882   3.055  16.286
  114    HA   LEU  16           HA       LEU  16  -4.969   4.714  17.204
  115    HB2  LEU  16           HB2      LEU  16  -4.660   2.760  14.937
  116    HB3  LEU  16           HB1      LEU  16  -6.241   3.475  15.257
  117    HG   LEU  16           HG       LEU  16  -5.199   5.740  15.120
  118   HD11  LEU  16          HD11      LEU  16  -2.908   5.806  14.018
  119   HD12  LEU  16          HD12      LEU  16  -2.768   4.089  14.389
  120   HD13  LEU  16          HD13      LEU  16  -2.909   5.265  15.696
  121   HD21  LEU  16          HD21      LEU  16  -6.223   4.490  13.139
  122   HD22  LEU  16          HD22      LEU  16  -4.572   4.113  12.648
  123   HD23  LEU  16          HD23      LEU  16  -5.107   5.791  12.729
  124    H    ASN  17           HN       ASN  17  -4.566   1.200  17.199
  125    HA   ASN  17           HA       ASN  17  -7.161   0.524  18.060
  126    HB2  ASN  17           HB2      ASN  17  -5.606  -1.131  17.153
  127    HB3  ASN  17           HB1      ASN  17  -4.544  -0.918  18.543
  128   HD21  ASN  17          HD21      ASN  17  -5.663  -3.489  17.987
  129   HD22  ASN  17          HD22      ASN  17  -6.787  -3.857  19.203
  130    H    VAL  18           HN       VAL  18  -4.220   1.340  19.878
  131    HA   VAL  18           HA       VAL  18  -5.233   0.722  22.443
  132    HB   VAL  18           HB       VAL  18  -3.119   2.719  21.592
  133   HG11  VAL  18          HG11      VAL  18  -2.413   2.359  24.060
  134   HG12  VAL  18          HG12      VAL  18  -4.060   1.775  24.303
  135   HG13  VAL  18          HG13      VAL  18  -3.780   3.429  23.757
  136   HG21  VAL  18          HG21      VAL  18  -2.760   0.267  21.094
  137   HG22  VAL  18          HG22      VAL  18  -2.871  -0.041  22.826
  138   HG23  VAL  18          HG23      VAL  18  -1.565   0.961  22.193
  139    H    ILE  19           HN       ILE  19  -5.166   3.787  20.626
  140    HA   ILE  19           HA       ILE  19  -6.537   5.296  22.618
  141    HB   ILE  19           HB       ILE  19  -6.370   5.807  19.640
  142   HG12  ILE  19          HG12      ILE  19  -4.142   5.536  20.613
  143   HG13  ILE  19          HG11      ILE  19  -4.422   7.229  20.230
  144   HG21  ILE  19          HG21      ILE  19  -6.917   7.651  21.987
  145   HG22  ILE  19          HG22      ILE  19  -8.087   7.140  20.772
  146   HG23  ILE  19          HG23      ILE  19  -6.731   8.168  20.312
  147   HD11  ILE  19          HD11      ILE  19  -3.508   7.362  22.374
  148   HD12  ILE  19          HD12      ILE  19  -4.296   5.882  22.912
  149   HD13  ILE  19          HD13      ILE  19  -5.234   7.362  22.742
  150    H    ALA  20           HN       ALA  20  -7.563   3.576  19.700
  151    HA   ALA  20           HA       ALA  20 -10.334   4.279  19.984
  152    HB1  ALA  20           HB1      ALA  20  -9.014   2.062  18.397
  153    HB2  ALA  20           HB2      ALA  20  -9.370   3.685  17.803
  154    HB3  ALA  20           HB3      ALA  20 -10.688   2.590  18.223
  155    HN1  NH2  21           H2       NH2  21  -9.818   0.477  21.464
  156    HN2  NH2  21           H1       NH2  21  -8.810   1.019  20.211
  Start of MODEL   13
    1    H1   ACE   0           HA2      ACE   0   3.707  -8.482  -2.382
    2    H2   ACE   0           HA3      ACE   0   4.321  -8.319  -4.028
    3    H3   ACE   0           HA1      ACE   0   3.555  -6.945  -3.233
    4    H    LEU   1           HN       LEU   1   5.042  -5.448  -2.776
    5    HA   LEU   1           HA       LEU   1   7.817  -5.927  -2.549
    6    HB2  LEU   1           HB2      LEU   1   6.102  -3.599  -1.673
    7    HB3  LEU   1           HB1      LEU   1   7.860  -3.589  -1.590
    8    HG   LEU   1           HG       LEU   1   6.305  -4.143  -4.131
    9   HD11  LEU   1          HD11      LEU   1   7.022  -1.778  -4.728
   10   HD12  LEU   1          HD12      LEU   1   7.435  -1.560  -3.027
   11   HD13  LEU   1          HD13      LEU   1   5.768  -1.894  -3.493
   12   HD21  LEU   1          HD21      LEU   1   9.220  -3.836  -3.433
   13   HD22  LEU   1          HD22      LEU   1   8.671  -3.270  -5.009
   14   HD23  LEU   1          HD23      LEU   1   8.446  -4.955  -4.555
   15    H    GLY   2           HN       GLY   2   5.264  -5.514  -0.136
   16    HA2  GLY   2           HA2      GLY   2   6.019  -7.199   1.809
   17    HA3  GLY   2           HA1      GLY   2   7.116  -5.847   2.088
   18    H    LEU   3           HN       LEU   3   3.664  -6.167   1.232
   19    HA   LEU   3           HA       LEU   3   1.833  -4.945   1.957
   20    HB2  LEU   3           HB2      LEU   3   3.123  -5.559   4.628
   21    HB3  LEU   3           HB1      LEU   3   1.421  -5.193   4.348
   22    HG   LEU   3           HG       LEU   3   2.900  -7.567   3.169
   23   HD11  LEU   3          HD11      LEU   3   1.566  -8.891   4.776
   24   HD12  LEU   3          HD12      LEU   3   0.897  -7.402   5.444
   25   HD13  LEU   3          HD13      LEU   3   2.616  -7.749   5.613
   26   HD21  LEU   3          HD21      LEU   3   0.070  -6.528   2.971
   27   HD22  LEU   3          HD22      LEU   3   0.387  -8.258   2.825
   28   HD23  LEU   3          HD23      LEU   3   1.123  -7.131   1.691
   29    H    LEU   4           HN       LEU   4   4.513  -3.491   1.628
   30    HA   LEU   4           HA       LEU   4   4.680  -1.429   3.540
   31    HB2  LEU   4           HB2      LEU   4   6.504  -1.920   1.989
   32    HB3  LEU   4           HB1      LEU   4   5.497  -1.447   0.623
   33    HG   LEU   4           HG       LEU   4   5.380   0.857   1.483
   34   HD11  LEU   4          HD11      LEU   4   5.487   0.722   3.826
   35   HD12  LEU   4          HD12      LEU   4   7.082   1.343   3.418
   36   HD13  LEU   4          HD13      LEU   4   6.875  -0.367   3.799
   37   HD21  LEU   4          HD21      LEU   4   8.222  -0.204   1.423
   38   HD22  LEU   4          HD22      LEU   4   7.729   1.462   1.123
   39   HD23  LEU   4          HD23      LEU   4   7.253   0.187   0.003
   40    H    SER   5           HN       SER   5   2.953  -1.640   0.446
   41    HA   SER   5           HA       SER   5   2.006   1.008   0.359
   42    HB2  SER   5           HB2      SER   5   0.730  -1.512  -0.725
   43    HB3  SER   5           HB1      SER   5   0.290   0.132  -1.183
   44    HG   SER   5           HG       SER   5   1.808  -0.821  -2.628
   45    H    TYR   6           HN       TYR   6   0.555  -1.935   1.734
   46    HA   TYR   6           HA       TYR   6  -1.842  -0.671   2.602
   47    HB2  TYR   6           HB2      TYR   6  -0.467  -3.232   3.422
   48    HB3  TYR   6           HB1      TYR   6  -2.016  -2.720   4.091
   49    HD1  TYR   6           HD1      TYR   6  -0.247  -3.619   0.947
   50    HD2  TYR   6           HD2      TYR   6  -4.039  -2.906   2.833
   51    HE1  TYR   6           HE1      TYR   6  -1.411  -4.526  -1.047
   52    HE2  TYR   6           HE2      TYR   6  -5.202  -3.812   0.840
   53    HH   TYR   6           HH       TYR   6  -4.241  -5.654  -1.167
   54    H    GLY   7           HN       GLY   7   1.253  -1.371   4.179
   55    HA2  GLY   7           HA2      GLY   7   0.363  -0.060   6.653
   56    HA3  GLY   7           HA1      GLY   7   1.857  -0.966   6.429
   57    H    ALA   8           HN       ALA   8   0.886   1.411   4.083
   58    HA   ALA   8           HA       ALA   8   3.310   2.835   4.216
   59    HB1  ALA   8           HB1      ALA   8   2.067   4.577   2.892
   60    HB2  ALA   8           HB2      ALA   8   0.605   3.617   3.111
   61    HB3  ALA   8           HB3      ALA   8   1.973   2.951   2.217
   62    H    GLY   9           HN       GLY   9   0.217   3.296   5.807
   63    HA2  GLY   9           HA2      GLY   9   1.316   4.774   7.953
   64    HA3  GLY   9           HA1      GLY   9   0.561   5.880   6.816
   65    H    VAL  10           HN       VAL  10  -1.360   3.490   6.238
   66    HA   VAL  10           HA       VAL  10  -3.527   4.419   7.742
   67    HB   VAL  10           HB       VAL  10  -3.306   1.634   6.601
   68   HG11  VAL  10          HG11      VAL  10  -5.320   2.355   7.959
   69   HG12  VAL  10          HG12      VAL  10  -5.679   1.833   6.313
   70   HG13  VAL  10          HG13      VAL  10  -5.644   3.553   6.706
   71   HG21  VAL  10          HG21      VAL  10  -3.689   4.290   5.202
   72   HG22  VAL  10          HG22      VAL  10  -4.207   2.763   4.488
   73   HG23  VAL  10          HG23      VAL  10  -2.500   3.037   4.844
   74    H    ALA  11           HN       ALA  11  -1.457   1.567   8.210
   75    HA   ALA  11           HA       ALA  11  -2.765   0.409  10.381
   76    HB1  ALA  11           HB1      ALA  11   0.209   0.502   9.840
   77    HB2  ALA  11           HB2      ALA  11  -0.924  -0.670   9.166
   78    HB3  ALA  11           HB3      ALA  11  -0.611  -0.643  10.902
   79    H    SER  12           HN       SER  12  -1.253   3.420  10.232
   80    HA   SER  12           HA       SER  12  -0.167   3.615  12.840
   81    HB2  SER  12           HB2      SER  12   0.254   5.149  10.845
   82    HB3  SER  12           HB1      SER  12  -1.277   5.920  11.252
   83    HG   SER  12           HG       SER  12  -0.451   6.569  13.163
   84    H    LEU  13           HN       LEU  13  -3.465   3.633  11.777
   85    HA   LEU  13           HA       LEU  13  -4.320   4.970  14.277
   86    HB2  LEU  13           HB2      LEU  13  -5.260   5.085  11.562
   87    HB3  LEU  13           HB1      LEU  13  -6.569   4.464  12.560
   88    HG   LEU  13           HG       LEU  13  -5.002   6.950  13.306
   89   HD11  LEU  13          HD11      LEU  13  -6.910   8.222  12.350
   90   HD12  LEU  13          HD12      LEU  13  -7.575   6.715  11.717
   91   HD13  LEU  13          HD13      LEU  13  -6.032   7.323  11.111
   92   HD21  LEU  13          HD21      LEU  13  -7.826   6.149  14.041
   93   HD22  LEU  13          HD22      LEU  13  -6.792   7.340  14.832
   94   HD23  LEU  13          HD23      LEU  13  -6.439   5.619  14.990
   95    HA   PRO  14           HA       PRO  14  -7.062   0.913  14.136
   96    HB2  PRO  14           HB2      PRO  14  -5.104  -0.853  12.710
   97    HB3  PRO  14           HB1      PRO  14  -6.881  -0.845  12.637
   98    HG2  PRO  14           HG2      PRO  14  -5.440   0.146  10.640
   99    HG3  PRO  14           HG1      PRO  14  -6.945   0.933  11.156
  100    HD2  PRO  14           HD2      PRO  14  -4.116   1.755  11.703
  101    HD3  PRO  14           HD1      PRO  14  -5.528   2.764  11.356
  102    H    LEU  15           HN       LEU  15  -3.510   0.508  14.141
  103    HA   LEU  15           HA       LEU  15  -3.415  -1.361  16.256
  104    HB2  LEU  15           HB2      LEU  15  -1.377   0.638  15.255
  105    HB3  LEU  15           HB1      LEU  15  -1.025  -0.562  16.493
  106    HG   LEU  15           HG       LEU  15  -2.137  -1.300  13.772
  107   HD11  LEU  15          HD11      LEU  15   0.265  -1.962  13.275
  108   HD12  LEU  15          HD12      LEU  15   0.736  -1.031  14.696
  109   HD13  LEU  15          HD13      LEU  15  -0.035  -0.226  13.330
  110   HD21  LEU  15          HD21      LEU  15  -2.431  -3.148  15.214
  111   HD22  LEU  15          HD22      LEU  15  -0.944  -2.820  16.100
  112   HD23  LEU  15          HD23      LEU  15  -0.873  -3.489  14.473
  113    H    LEU  16           HN       LEU  16  -3.239   2.171  16.198
  114    HA   LEU  16           HA       LEU  16  -2.785   2.531  18.967
  115    HB2  LEU  16           HB2      LEU  16  -3.863   4.277  16.768
  116    HB3  LEU  16           HB1      LEU  16  -3.867   4.847  18.432
  117    HG   LEU  16           HG       LEU  16  -1.834   5.495  17.048
  118   HD11  LEU  16          HD11      LEU  16  -0.941   3.813  19.382
  119   HD12  LEU  16          HD12      LEU  16  -1.961   5.224  19.654
  120   HD13  LEU  16          HD13      LEU  16  -0.391   5.410  18.881
  121   HD21  LEU  16          HD21      LEU  16  -0.166   3.841  16.550
  122   HD22  LEU  16          HD22      LEU  16  -1.695   3.216  15.933
  123   HD23  LEU  16          HD23      LEU  16  -1.036   2.600  17.448
  124    H    ASN  17           HN       ASN  17  -5.708   2.257  17.023
  125    HA   ASN  17           HA       ASN  17  -7.583   2.936  19.007
  126    HB2  ASN  17           HB2      ASN  17  -8.169   2.806  16.638
  127    HB3  ASN  17           HB1      ASN  17  -7.865   1.071  16.641
  128   HD21  ASN  17          HD21      ASN  17 -10.427   2.029  15.920
  129   HD22  ASN  17          HD22      ASN  17 -11.533   1.607  17.136
  130    H    VAL  18           HN       VAL  18  -6.091  -0.177  18.163
  131    HA   VAL  18           HA       VAL  18  -7.691  -1.800  19.825
  132    HB   VAL  18           HB       VAL  18  -4.821  -2.139  18.919
  133   HG11  VAL  18          HG11      VAL  18  -5.335  -4.592  19.451
  134   HG12  VAL  18          HG12      VAL  18  -6.703  -3.993  20.389
  135   HG13  VAL  18          HG13      VAL  18  -5.059  -3.536  20.837
  136   HG21  VAL  18          HG21      VAL  18  -5.723  -3.483  17.174
  137   HG22  VAL  18          HG22      VAL  18  -6.754  -2.054  17.225
  138   HG23  VAL  18          HG23      VAL  18  -7.306  -3.564  17.948
  139    H    ILE  19           HN       ILE  19  -4.584  -0.173  20.425
  140    HA   ILE  19           HA       ILE  19  -4.335  -1.028  23.127
  141    HB   ILE  19           HB       ILE  19  -3.190   1.453  21.824
  142   HG12  ILE  19          HG12      ILE  19  -2.566  -0.514  20.528
  143   HG13  ILE  19          HG11      ILE  19  -1.171   0.015  21.465
  144   HG21  ILE  19          HG21      ILE  19  -2.497  -0.101  24.325
  145   HG22  ILE  19          HG22      ILE  19  -2.955   1.597  24.201
  146   HG23  ILE  19          HG23      ILE  19  -1.394   1.056  23.581
  147   HD11  ILE  19          HD11      ILE  19  -1.146  -2.279  21.868
  148   HD12  ILE  19          HD12      ILE  19  -2.903  -2.408  21.845
  149   HD13  ILE  19          HD13      ILE  19  -2.089  -1.716  23.246
  150    H    ALA  20           HN       ALA  20  -5.670   1.881  21.606
  151    HA   ALA  20           HA       ALA  20  -6.254   3.306  23.966
  152    HB1  ALA  20           HB1      ALA  20  -7.801   3.366  21.366
  153    HB2  ALA  20           HB2      ALA  20  -6.307   4.254  21.653
  154    HB3  ALA  20           HB3      ALA  20  -7.750   4.630  22.593
  155    HN1  NH2  21           H2       NH2  21  -9.520   0.893  23.319
  156    HN2  NH2  21           H1       NH2  21  -8.448   1.183  22.037
  Start of MODEL   14
    1    H1   ACE   0           HA2      ACE   0   1.944  -7.673  -0.763
    2    H2   ACE   0           HA3      ACE   0   2.150  -6.306   0.333
    3    H3   ACE   0           HA1      ACE   0   0.532  -6.798  -0.173
    4    H    LEU   1           HN       LEU   1   3.101  -7.319   2.066
    5    HA   LEU   1           HA       LEU   1   2.429  -9.872   3.052
    6    HB2  LEU   1           HB2      LEU   1   3.691  -7.484   4.415
    7    HB3  LEU   1           HB1      LEU   1   3.580  -9.081   5.148
    8    HG   LEU   1           HG       LEU   1   4.879  -8.614   2.449
    9   HD11  LEU   1          HD11      LEU   1   7.028  -8.543   3.565
   10   HD12  LEU   1          HD12      LEU   1   6.275  -8.826   5.133
   11   HD13  LEU   1          HD13      LEU   1   6.003  -7.303   4.286
   12   HD21  LEU   1          HD21      LEU   1   4.422 -10.931   2.703
   13   HD22  LEU   1          HD22      LEU   1   4.788 -10.906   4.428
   14   HD23  LEU   1          HD23      LEU   1   6.088 -10.777   3.247
   15    H    GLY   2           HN       GLY   2   1.312  -6.632   3.921
   16    HA2  GLY   2           HA2      GLY   2  -1.278  -7.352   4.622
   17    HA3  GLY   2           HA1      GLY   2  -0.331  -7.417   6.105
   18    H    LEU   3           HN       LEU   3  -0.282  -5.247   3.286
   19    HA   LEU   3           HA       LEU   3  -0.186  -2.944   3.160
   20    HB2  LEU   3           HB2      LEU   3  -2.279  -3.192   5.333
   21    HB3  LEU   3           HB1      LEU   3  -2.036  -1.812   4.264
   22    HG   LEU   3           HG       LEU   3  -2.774  -4.610   3.354
   23   HD11  LEU   3          HD11      LEU   3  -4.399  -2.074   3.696
   24   HD12  LEU   3          HD12      LEU   3  -4.656  -3.629   4.490
   25   HD13  LEU   3          HD13      LEU   3  -4.952  -3.465   2.759
   26   HD21  LEU   3          HD21      LEU   3  -3.320  -3.159   1.217
   27   HD22  LEU   3          HD22      LEU   3  -1.662  -3.663   1.519
   28   HD23  LEU   3          HD23      LEU   3  -2.169  -2.024   1.923
   29    H    LEU   4           HN       LEU   4   1.325  -4.448   5.482
   30    HA   LEU   4           HA       LEU   4   1.547  -2.613   7.626
   31    HB2  LEU   4           HB2      LEU   4   3.479  -4.674   6.545
   32    HB3  LEU   4           HB1      LEU   4   3.767  -3.760   8.021
   33    HG   LEU   4           HG       LEU   4   1.271  -5.417   7.562
   34   HD11  LEU   4          HD11      LEU   4   2.462  -7.018   9.187
   35   HD12  LEU   4          HD12      LEU   4   3.942  -6.160   8.761
   36   HD13  LEU   4          HD13      LEU   4   3.028  -7.011   7.517
   37   HD21  LEU   4          HD21      LEU   4   2.458  -3.922   9.900
   38   HD22  LEU   4          HD22      LEU   4   1.457  -5.340  10.197
   39   HD23  LEU   4          HD23      LEU   4   0.788  -3.959   9.336
   40    H    SER   5           HN       SER   5   3.464  -3.016   4.653
   41    HA   SER   5           HA       SER   5   5.274  -0.892   5.185
   42    HB2  SER   5           HB2      SER   5   5.936  -2.432   3.505
   43    HB3  SER   5           HB1      SER   5   4.406  -2.276   2.647
   44    HG   SER   5           HG       SER   5   5.349   0.139   2.804
   45    H    TYR   6           HN       TYR   6   2.247  -1.097   3.370
   46    HA   TYR   6           HA       TYR   6   2.169   1.567   2.457
   47    HB2  TYR   6           HB2      TYR   6   0.730  -0.054   1.442
   48    HB3  TYR   6           HB1      TYR   6  -0.003  -0.471   2.989
   49    HD1  TYR   6           HD2      TYR   6   0.409   2.321   0.539
   50    HD2  TYR   6           HD1      TYR   6  -1.878   0.709   3.798
   51    HE1  TYR   6           HE2      TYR   6  -1.309   4.081   0.208
   52    HE2  TYR   6           HE1      TYR   6  -3.591   2.462   3.469
   53    HH   TYR   6           HH       TYR   6  -4.343   4.045   2.007
   54    H    GLY   7           HN       GLY   7   0.762   0.038   5.344
   55    HA2  GLY   7           HA2      GLY   7  -0.454   2.375   6.386
   56    HA3  GLY   7           HA1      GLY   7  -0.069   0.917   7.297
   57    H    ALA   8           HN       ALA   8   2.773   1.019   6.610
   58    HA   ALA   8           HA       ALA   8   3.752   2.385   8.819
   59    HB1  ALA   8           HB1      ALA   8   4.956   0.598   7.530
   60    HB2  ALA   8           HB2      ALA   8   5.955   1.996   7.928
   61    HB3  ALA   8           HB3      ALA   8   5.314   1.806   6.295
   62    H    GLY   9           HN       GLY   9   2.664   4.435   8.705
   63    HA2  GLY   9           HA2      GLY   9   3.903   6.697   8.434
   64    HA3  GLY   9           HA1      GLY   9   3.699   6.358   6.716
   65    H    VAL  10           HN       VAL  10   1.103   4.982   7.332
   66    HA   VAL  10           HA       VAL  10  -0.627   7.163   6.840
   67    HB   VAL  10           HB       VAL  10  -1.159   4.312   7.706
   68   HG11  VAL  10          HG11      VAL  10  -3.528   4.937   6.774
   69   HG12  VAL  10          HG12      VAL  10  -3.049   6.594   7.142
   70   HG13  VAL  10          HG13      VAL  10  -3.114   5.387   8.426
   71   HG21  VAL  10          HG21      VAL  10  -0.169   4.688   5.450
   72   HG22  VAL  10          HG22      VAL  10  -1.522   5.749   5.054
   73   HG23  VAL  10          HG23      VAL  10  -1.805   4.035   5.361
   74    H    ALA  11           HN       ALA  11   0.001   5.259   9.778
   75    HA   ALA  11           HA       ALA  11  -0.289   5.759  12.000
   76    HB1  ALA  11           HB1      ALA  11  -0.158   7.990  12.704
   77    HB2  ALA  11           HB2      ALA  11  -0.964   8.597  11.259
   78    HB3  ALA  11           HB3      ALA  11   0.693   7.999  11.160
   79    H    SER  12           HN       SER  12  -2.726   6.579   9.685
   80    HA   SER  12           HA       SER  12  -4.825   6.925  11.668
   81    HB2  SER  12           HB2      SER  12  -5.006   6.728   8.652
   82    HB3  SER  12           HB1      SER  12  -6.302   7.212   9.743
   83    HG   SER  12           HG       SER  12  -4.639   8.842  10.468
   84    H    LEU  13           HN       LEU  13  -3.210   4.309  10.933
   85    HA   LEU  13           HA       LEU  13  -5.470   2.555  11.394
   86    HB2  LEU  13           HB2      LEU  13  -4.828   2.965   8.767
   87    HB3  LEU  13           HB1      LEU  13  -3.800   1.586   9.131
   88    HG   LEU  13           HG       LEU  13  -5.975   0.577  10.215
   89   HD11  LEU  13          HD11      LEU  13  -7.326   2.646  10.022
   90   HD12  LEU  13          HD12      LEU  13  -8.038   1.330   9.091
   91   HD13  LEU  13          HD13      LEU  13  -7.132   2.599   8.269
   92   HD21  LEU  13          HD21      LEU  13  -6.645  -0.323   7.979
   93   HD22  LEU  13          HD22      LEU  13  -4.903  -0.378   8.236
   94   HD23  LEU  13          HD23      LEU  13  -5.605   0.880   7.217
   95    HA   PRO  14           HA       PRO  14  -1.271   0.097  11.815
   96    HB2  PRO  14           HB2      PRO  14   0.552   2.404  12.376
   97    HB3  PRO  14           HB1      PRO  14   0.874   0.903  11.481
   98    HG2  PRO  14           HG2      PRO  14   0.545   3.183  10.182
   99    HG3  PRO  14           HG1      PRO  14  -0.159   1.679   9.553
  100    HD2  PRO  14           HD2      PRO  14  -1.509   3.919  11.030
  101    HD3  PRO  14           HD1      PRO  14  -2.081   3.009   9.612
  102    H    LEU  15           HN       LEU  15  -1.159   3.185  13.638
  103    HA   LEU  15           HA       LEU  15  -0.619   1.976  16.139
  104    HB2  LEU  15           HB2      LEU  15  -1.819   4.661  15.438
  105    HB3  LEU  15           HB1      LEU  15  -1.348   4.191  17.067
  106    HG   LEU  15           HG       LEU  15   0.539   4.183  14.692
  107   HD11  LEU  15          HD11      LEU  15   1.459   6.262  15.667
  108   HD12  LEU  15          HD12      LEU  15   0.195   6.239  16.897
  109   HD13  LEU  15          HD13      LEU  15  -0.230   6.467  15.201
  110   HD21  LEU  15          HD21      LEU  15   1.548   2.770  16.253
  111   HD22  LEU  15          HD22      LEU  15   0.815   3.587  17.633
  112   HD23  LEU  15          HD23      LEU  15   2.177   4.324  16.792
  113    H    LEU  16           HN       LEU  16  -3.618   3.058  14.604
  114    HA   LEU  16           HA       LEU  16  -5.333   2.514  16.783
  115    HB2  LEU  16           HB2      LEU  16  -5.865   2.645  13.809
  116    HB3  LEU  16           HB1      LEU  16  -7.129   2.537  15.031
  117    HG   LEU  16           HG       LEU  16  -5.031   4.725  14.954
  118   HD11  LEU  16          HD11      LEU  16  -6.668   6.155  13.953
  119   HD12  LEU  16          HD12      LEU  16  -7.939   4.950  14.151
  120   HD13  LEU  16          HD13      LEU  16  -6.644   4.682  12.986
  121   HD21  LEU  16          HD21      LEU  16  -6.977   5.802  16.411
  122   HD22  LEU  16          HD22      LEU  16  -5.810   4.717  17.157
  123   HD23  LEU  16          HD23      LEU  16  -7.406   4.117  16.707
  124    H    ASN  17           HN       ASN  17  -4.293   0.581  14.025
  125    HA   ASN  17           HA       ASN  17  -5.986  -1.629  14.432
  126    HB2  ASN  17           HB2      ASN  17  -4.747  -1.339  12.362
  127    HB3  ASN  17           HB1      ASN  17  -3.216  -1.482  13.225
  128   HD21  ASN  17          HD21      ASN  17  -5.967  -3.310  11.969
  129   HD22  ASN  17          HD22      ASN  17  -5.308  -4.844  12.278
  130    H    VAL  18           HN       VAL  18  -2.754  -0.886  15.694
  131    HA   VAL  18           HA       VAL  18  -2.362  -3.351  17.044
  132    HB   VAL  18           HB       VAL  18  -1.200  -0.593  17.522
  133   HG11  VAL  18          HG11      VAL  18  -0.974  -1.795  19.590
  134   HG12  VAL  18          HG12      VAL  18   0.580  -1.925  18.765
  135   HG13  VAL  18          HG13      VAL  18  -0.546  -3.284  18.747
  136   HG21  VAL  18          HG21      VAL  18  -0.754  -1.851  15.337
  137   HG22  VAL  18          HG22      VAL  18   0.086  -3.052  16.317
  138   HG23  VAL  18          HG23      VAL  18   0.673  -1.391  16.266
  139    H    ILE  19           HN       ILE  19  -3.625  -0.200  18.077
  140    HA   ILE  19           HA       ILE  19  -4.079  -0.892  20.781
  141    HB   ILE  19           HB       ILE  19  -5.400   1.165  18.993
  142   HG12  ILE  19          HG12      ILE  19  -3.376   1.513  21.219
  143   HG13  ILE  19          HG11      ILE  19  -2.919   1.331  19.525
  144   HG21  ILE  19          HG21      ILE  19  -5.646   0.630  21.964
  145   HG22  ILE  19          HG22      ILE  19  -6.946   0.763  20.777
  146   HG23  ILE  19          HG23      ILE  19  -6.031   2.196  21.248
  147   HD11  ILE  19          HD11      ILE  19  -4.137   3.323  18.908
  148   HD12  ILE  19          HD12      ILE  19  -3.115   3.730  20.287
  149   HD13  ILE  19          HD13      ILE  19  -4.840   3.451  20.521
  150    H    ALA  20           HN       ALA  20  -6.140  -1.016  17.895
  151    HA   ALA  20           HA       ALA  20  -8.366  -2.152  19.383
  152    HB1  ALA  20           HB1      ALA  20  -7.981  -1.774  16.402
  153    HB2  ALA  20           HB2      ALA  20  -8.777  -0.634  17.489
  154    HB3  ALA  20           HB3      ALA  20  -9.489  -2.222  17.201
  155    HN1  NH2  21           H2       NH2  21  -6.034  -5.058  17.950
  156    HN2  NH2  21           H1       NH2  21  -5.509  -3.454  18.133
  Start of MODEL   15
    1    H1   ACE   0           HA2      ACE   0  -0.800  -7.075   2.886
    2    H2   ACE   0           HA3      ACE   0  -0.402  -8.788   3.028
    3    H3   ACE   0           HA1      ACE   0  -2.031  -8.296   2.565
    4    H    LEU   1           HN       LEU   1  -0.946  -6.128   0.865
    5    HA   LEU   1           HA       LEU   1  -0.507  -7.730  -1.537
    6    HB2  LEU   1           HB2      LEU   1  -0.933  -4.757  -1.138
    7    HB3  LEU   1           HB1      LEU   1  -0.788  -5.558  -2.701
    8    HG   LEU   1           HG       LEU   1  -2.753  -7.099  -1.662
    9   HD11  LEU   1          HD11      LEU   1  -2.716  -5.780   0.495
   10   HD12  LEU   1          HD12      LEU   1  -4.287  -5.822  -0.298
   11   HD13  LEU   1          HD13      LEU   1  -3.278  -4.382  -0.419
   12   HD21  LEU   1          HD21      LEU   1  -3.231  -4.334  -2.825
   13   HD22  LEU   1          HD22      LEU   1  -4.369  -5.681  -2.850
   14   HD23  LEU   1          HD23      LEU   1  -2.865  -5.779  -3.767
   15    H    GLY   2           HN       GLY   2   1.388  -6.324   0.809
   16    HA2  GLY   2           HA2      GLY   2   3.748  -6.402   0.834
   17    HA3  GLY   2           HA1      GLY   2   3.756  -6.390  -0.927
   18    H    LEU   3           HN       LEU   3   1.565  -4.167  -0.288
   19    HA   LEU   3           HA       LEU   3   3.426  -1.955  -0.649
   20    HB2  LEU   3           HB2      LEU   3   0.400  -2.024  -0.570
   21    HB3  LEU   3           HB1      LEU   3   1.374  -0.618  -0.994
   22    HG   LEU   3           HG       LEU   3   1.449  -3.271  -2.469
   23   HD11  LEU   3          HD11      LEU   3  -0.722  -2.128  -2.728
   24   HD12  LEU   3          HD12      LEU   3   0.197  -2.077  -4.232
   25   HD13  LEU   3          HD13      LEU   3   0.110  -0.648  -3.203
   26   HD21  LEU   3          HD21      LEU   3   2.510  -1.603  -4.224
   27   HD22  LEU   3          HD22      LEU   3   3.511  -2.252  -2.932
   28   HD23  LEU   3          HD23      LEU   3   2.856  -0.621  -2.801
   29    H    LEU   4           HN       LEU   4   1.896  -3.517   1.918
   30    HA   LEU   4           HA       LEU   4   1.283  -1.380   3.645
   31    HB2  LEU   4           HB2      LEU   4   0.470  -3.637   4.056
   32    HB3  LEU   4           HB1      LEU   4   2.117  -4.222   4.269
   33    HG   LEU   4           HG       LEU   4   2.396  -2.823   6.260
   34   HD11  LEU   4          HD11      LEU   4   0.170  -1.728   7.118
   35   HD12  LEU   4          HD12      LEU   4  -0.306  -1.775   5.420
   36   HD13  LEU   4          HD13      LEU   4   1.129  -0.875   5.911
   37   HD21  LEU   4          HD21      LEU   4   1.244  -5.107   6.340
   38   HD22  LEU   4          HD22      LEU   4  -0.276  -4.226   6.480
   39   HD23  LEU   4          HD23      LEU   4   0.962  -4.050   7.722
   40    H    SER   5           HN       SER   5   4.277  -3.217   3.168
   41    HA   SER   5           HA       SER   5   5.719  -2.107   5.316
   42    HB2  SER   5           HB2      SER   5   6.417  -4.129   4.058
   43    HB3  SER   5           HB1      SER   5   6.806  -3.108   2.676
   44    HG   SER   5           HG       SER   5   8.245  -1.968   4.116
   45    H    TYR   6           HN       TYR   6   4.742  -0.706   2.353
   46    HA   TYR   6           HA       TYR   6   6.880   1.269   2.271
   47    HB2  TYR   6           HB2      TYR   6   4.354   0.901   0.654
   48    HB3  TYR   6           HB1      TYR   6   5.486   2.230   0.406
   49    HD1  TYR   6           HD2      TYR   6   5.333  -1.504   0.615
   50    HD2  TYR   6           HD1      TYR   6   7.384   1.925  -0.962
   51    HE1  TYR   6           HE2      TYR   6   6.770  -2.993  -0.748
   52    HE2  TYR   6           HE1      TYR   6   8.826   0.435  -2.322
   53    HH   TYR   6           HH       TYR   6   9.377  -1.667  -2.787
   54    H    GLY   7           HN       GLY   7   4.578   0.888   4.419
   55    HA2  GLY   7           HA2      GLY   7   3.761   2.373   6.005
   56    HA3  GLY   7           HA1      GLY   7   4.426   3.700   5.057
   57    H    ALA   8           HN       ALA   8   2.249   1.234   3.793
   58    HA   ALA   8           HA       ALA   8   0.519   3.082   2.571
   59    HB1  ALA   8           HB1      ALA   8   0.731   0.590   2.078
   60    HB2  ALA   8           HB2      ALA   8  -0.907   1.240   2.091
   61    HB3  ALA   8           HB3      ALA   8  -0.312   0.323   3.475
   62    H    GLY   9           HN       GLY   9   0.964   2.534   5.806
   63    HA2  GLY   9           HA2      GLY   9  -1.054   4.233   6.694
   64    HA3  GLY   9           HA1      GLY   9  -1.681   2.592   6.833
   65    H    VAL  10           HN       VAL  10   1.098   4.617   7.712
   66    HA   VAL  10           HA       VAL  10   2.205   2.845   9.614
   67    HB   VAL  10           HB       VAL  10   2.376   5.849   9.327
   68   HG11  VAL  10          HG11      VAL  10   3.748   3.940  11.228
   69   HG12  VAL  10          HG12      VAL  10   2.914   5.446  11.609
   70   HG13  VAL  10          HG13      VAL  10   4.471   5.487  10.785
   71   HG21  VAL  10          HG21      VAL  10   4.278   3.585   8.642
   72   HG22  VAL  10          HG22      VAL  10   4.611   5.302   8.414
   73   HG23  VAL  10          HG23      VAL  10   3.333   4.520   7.482
   74    H    ALA  11           HN       ALA  11  -0.108   5.517   9.921
   75    HA   ALA  11           HA       ALA  11  -0.380   5.319  12.754
   76    HB1  ALA  11           HB1      ALA  11  -2.424   6.430  10.829
   77    HB2  ALA  11           HB2      ALA  11  -0.977   7.317  11.306
   78    HB3  ALA  11           HB3      ALA  11  -2.176   6.871  12.518
   79    H    SER  12           HN       SER  12  -1.453   3.366  10.211
   80    HA   SER  12           HA       SER  12  -3.974   2.505  11.174
   81    HB2  SER  12           HB2      SER  12  -2.938   2.090   8.864
   82    HB3  SER  12           HB1      SER  12  -2.051   0.773   9.625
   83    HG   SER  12           HG       SER  12  -4.700   0.800  10.279
   84    H    LEU  13           HN       LEU  13  -0.881   2.098  12.441
   85    HA   LEU  13           HA       LEU  13  -1.453  -0.482  13.711
   86    HB2  LEU  13           HB2      LEU  13   0.958   1.165  13.190
   87    HB3  LEU  13           HB1      LEU  13   0.971   0.315  14.735
   88    HG   LEU  13           HG       LEU  13   0.462  -1.807  13.523
   89   HD11  LEU  13          HD11      LEU  13   0.651   0.050  11.144
   90   HD12  LEU  13          HD12      LEU  13  -0.661  -1.050  11.562
   91   HD13  LEU  13          HD13      LEU  13   0.879  -1.692  10.994
   92   HD21  LEU  13          HD21      LEU  13   2.697  -2.078  12.557
   93   HD22  LEU  13          HD22      LEU  13   2.805  -1.110  14.027
   94   HD23  LEU  13          HD23      LEU  13   2.886  -0.327  12.449
   95    HA   PRO  14           HA       PRO  14  -0.883   2.152  17.715
   96    HB2  PRO  14           HB2      PRO  14  -0.954   4.913  17.377
   97    HB3  PRO  14           HB1      PRO  14   0.530   3.948  17.499
   98    HG2  PRO  14           HG2      PRO  14  -0.874   4.951  15.058
   99    HG3  PRO  14           HG1      PRO  14   0.861   4.924  15.428
  100    HD2  PRO  14           HD2      PRO  14  -0.215   3.087  13.800
  101    HD3  PRO  14           HD1      PRO  14   1.063   2.642  14.955
  102    H    LEU  15           HN       LEU  15  -2.919   3.607  15.178
  103    HA   LEU  15           HA       LEU  15  -4.945   4.584  16.882
  104    HB2  LEU  15           HB2      LEU  15  -5.025   3.652  14.008
  105    HB3  LEU  15           HB1      LEU  15  -6.397   4.405  14.815
  106    HG   LEU  15           HG       LEU  15  -3.657   5.692  14.628
  107   HD11  LEU  15          HD11      LEU  15  -4.851   7.151  12.884
  108   HD12  LEU  15          HD12      LEU  15  -6.063   5.872  12.808
  109   HD13  LEU  15          HD13      LEU  15  -4.389   5.528  12.374
  110   HD21  LEU  15          HD21      LEU  15  -6.366   6.552  15.640
  111   HD22  LEU  15          HD22      LEU  15  -5.285   7.764  14.959
  112   HD23  LEU  15          HD23      LEU  15  -4.775   6.818  16.350
  113    H    LEU  16           HN       LEU  16  -4.545   1.473  15.252
  114    HA   LEU  16           HA       LEU  16  -6.998   0.353  16.156
  115    HB2  LEU  16           HB2      LEU  16  -4.461  -0.760  14.988
  116    HB3  LEU  16           HB1      LEU  16  -5.667  -1.861  15.655
  117    HG   LEU  16           HG       LEU  16  -7.373  -1.005  14.162
  118   HD11  LEU  16          HD11      LEU  16  -6.587   0.722  12.393
  119   HD12  LEU  16          HD12      LEU  16  -5.275   1.064  13.516
  120   HD13  LEU  16          HD13      LEU  16  -6.944   1.310  14.015
  121   HD21  LEU  16          HD21      LEU  16  -6.201  -1.435  11.910
  122   HD22  LEU  16          HD22      LEU  16  -6.096  -2.718  13.114
  123   HD23  LEU  16          HD23      LEU  16  -4.723  -1.645  12.848
  124    H    ASN  17           HN       ASN  17  -3.714   0.384  17.449
  125    HA   ASN  17           HA       ASN  17  -4.094  -1.467  19.537
  126    HB2  ASN  17           HB2      ASN  17  -2.217   0.866  19.166
  127    HB3  ASN  17           HB1      ASN  17  -2.182  -0.127  20.623
  128   HD21  ASN  17          HD21      ASN  17   0.045  -0.062  18.822
  129   HD22  ASN  17          HD22      ASN  17   0.180  -1.588  18.088
  130    H    VAL  18           HN       VAL  18  -4.609   2.044  19.385
  131    HA   VAL  18           HA       VAL  18  -5.260   2.402  22.117
  132    HB   VAL  18           HB       VAL  18  -6.039   3.973  19.650
  133   HG11  VAL  18          HG11      VAL  18  -6.469   5.797  21.412
  134   HG12  VAL  18          HG12      VAL  18  -6.516   4.487  22.592
  135   HG13  VAL  18          HG13      VAL  18  -7.687   4.530  21.276
  136   HG21  VAL  18          HG21      VAL  18  -3.591   3.781  20.393
  137   HG22  VAL  18          HG22      VAL  18  -4.069   4.672  21.837
  138   HG23  VAL  18          HG23      VAL  18  -4.235   5.416  20.246
  139    H    ILE  19           HN       ILE  19  -7.267   1.840  19.239
  140    HA   ILE  19           HA       ILE  19  -9.762   1.850  20.587
  141    HB   ILE  19           HB       ILE  19  -8.881   0.537  18.004
  142   HG12  ILE  19          HG12      ILE  19  -8.733   2.986  17.975
  143   HG13  ILE  19          HG11      ILE  19 -10.059   2.448  16.953
  144   HG21  ILE  19          HG21      ILE  19 -11.609   0.804  19.268
  145   HG22  ILE  19          HG22      ILE  19 -10.823  -0.653  18.664
  146   HG23  ILE  19          HG23      ILE  19 -11.399   0.570  17.532
  147   HD11  ILE  19          HD11      ILE  19 -11.459   2.802  19.215
  148   HD12  ILE  19          HD12      ILE  19 -11.130   4.135  18.114
  149   HD13  ILE  19          HD13      ILE  19 -10.140   3.919  19.554
  150    H    ALA  20           HN       ALA  20  -7.505  -0.728  19.701
  151    HA   ALA  20           HA       ALA  20  -9.135  -2.803  20.875
  152    HB1  ALA  20           HB1      ALA  20  -6.298  -2.779  19.828
  153    HB2  ALA  20           HB2      ALA  20  -7.734  -3.387  19.002
  154    HB3  ALA  20           HB3      ALA  20  -7.115  -4.224  20.426
  155    HN1  NH2  21           H2       NH2  21  -6.532  -1.331  23.596
  156    HN2  NH2  21           H1       NH2  21  -6.743  -0.587  22.084
  Start of MODEL   16
    1    H1   ACE   0           HA2      ACE   0   2.618  -7.763  -2.256
    2    H2   ACE   0           HA3      ACE   0   2.803  -8.778  -3.688
    3    H3   ACE   0           HA1      ACE   0   1.666  -7.430  -3.702
    4    H    LEU   1           HN       LEU   1   2.464  -5.294  -3.775
    5    HA   LEU   1           HA       LEU   1   4.714  -4.896  -5.427
    6    HB2  LEU   1           HB2      LEU   1   3.139  -2.985  -3.690
    7    HB3  LEU   1           HB1      LEU   1   4.391  -2.468  -4.816
    8    HG   LEU   1           HG       LEU   1   1.995  -4.132  -5.639
    9   HD11  LEU   1          HD11      LEU   1   1.056  -2.009  -6.517
   10   HD12  LEU   1          HD12      LEU   1   2.396  -1.129  -5.782
   11   HD13  LEU   1          HD13      LEU   1   1.231  -1.972  -4.762
   12   HD21  LEU   1          HD21      LEU   1   4.252  -2.756  -7.097
   13   HD22  LEU   1          HD22      LEU   1   2.694  -2.947  -7.898
   14   HD23  LEU   1          HD23      LEU   1   3.581  -4.364  -7.354
   15    H    GLY   2           HN       GLY   2   4.238  -4.640  -1.938
   16    HA2  GLY   2           HA2      GLY   2   6.080  -5.244  -0.459
   17    HA3  GLY   2           HA1      GLY   2   7.178  -4.446  -1.582
   18    H    LEU   3           HN       LEU   3   4.673  -2.513  -1.731
   19    HA   LEU   3           HA       LEU   3   5.679  -0.701   0.377
   20    HB2  LEU   3           HB2      LEU   3   3.940  -0.143  -2.039
   21    HB3  LEU   3           HB1      LEU   3   4.509   1.063  -0.887
   22    HG   LEU   3           HG       LEU   3   6.314  -0.708  -2.563
   23   HD11  LEU   3          HD11      LEU   3   6.728   1.281  -3.906
   24   HD12  LEU   3          HD12      LEU   3   5.674   2.241  -2.869
   25   HD13  LEU   3          HD13      LEU   3   4.993   0.965  -3.876
   26   HD21  LEU   3          HD21      LEU   3   7.621  -0.102  -0.712
   27   HD22  LEU   3          HD22      LEU   3   6.786   1.436  -0.490
   28   HD23  LEU   3          HD23      LEU   3   7.943   1.239  -1.806
   29    H    LEU   4           HN       LEU   4   3.264  -2.922  -0.060
   30    HA   LEU   4           HA       LEU   4   0.971  -1.586   0.908
   31    HB2  LEU   4           HB2      LEU   4   1.808  -4.488   1.073
   32    HB3  LEU   4           HB1      LEU   4   0.218  -3.902   1.557
   33    HG   LEU   4           HG       LEU   4   1.407  -3.462  -1.200
   34   HD11  LEU   4          HD11      LEU   4  -0.473  -5.607  -0.180
   35   HD12  LEU   4          HD12      LEU   4   1.114  -5.840  -0.909
   36   HD13  LEU   4          HD13      LEU   4  -0.230  -5.255  -1.891
   37   HD21  LEU   4          HD21      LEU   4  -1.205  -3.224  -1.620
   38   HD22  LEU   4          HD22      LEU   4  -0.289  -1.863  -0.989
   39   HD23  LEU   4          HD23      LEU   4  -1.246  -2.860   0.104
   40    H    SER   5           HN       SER   5   3.599  -3.291   2.540
   41    HA   SER   5           HA       SER   5   2.478  -2.869   5.171
   42    HB2  SER   5           HB2      SER   5   5.155  -3.909   4.230
   43    HB3  SER   5           HB1      SER   5   4.688  -3.795   5.926
   44    HG   SER   5           HG       SER   5   3.488  -5.317   3.854
   45    H    TYR   6           HN       TYR   6   3.906  -0.825   3.025
   46    HA   TYR   6           HA       TYR   6   5.851   0.575   4.483
   47    HB2  TYR   6           HB2      TYR   6   5.365   0.894   2.058
   48    HB3  TYR   6           HB1      TYR   6   3.868   1.714   2.501
   49    HD1  TYR   6           HD2      TYR   6   3.893   3.920   3.561
   50    HD2  TYR   6           HD1      TYR   6   7.533   1.933   2.448
   51    HE1  TYR   6           HE2      TYR   6   5.133   6.051   3.820
   52    HE2  TYR   6           HE1      TYR   6   8.775   4.063   2.705
   53    HH   TYR   6           HH       TYR   6   7.228   6.946   4.020
   54    H    GLY   7           HN       GLY   7   2.338   1.088   4.258
   55    HA2  GLY   7           HA2      GLY   7   1.800   1.750   6.853
   56    HA3  GLY   7           HA1      GLY   7   2.345   3.266   6.143
   57    H    ALA   8           HN       ALA   8   0.595   0.788   4.363
   58    HA   ALA   8           HA       ALA   8  -1.501   2.723   3.725
   59    HB1  ALA   8           HB1      ALA   8  -2.132   1.226   1.990
   60    HB2  ALA   8           HB2      ALA   8  -1.275  -0.122   2.738
   61    HB3  ALA   8           HB3      ALA   8  -0.368   1.206   2.013
   62    H    GLY   9           HN       GLY   9  -1.184   1.290   6.415
   63    HA2  GLY   9           HA2      GLY   9  -3.689   1.204   7.368
   64    HA3  GLY   9           HA1      GLY   9  -3.582  -0.357   6.562
   65    H    VAL  10           HN       VAL  10  -0.562  -0.122   7.297
   66    HA   VAL  10           HA       VAL  10  -0.617  -1.875   9.502
   67    HB   VAL  10           HB       VAL  10   1.613  -0.122   8.458
   68   HG11  VAL  10          HG11      VAL  10   3.046  -1.876   9.641
   69   HG12  VAL  10          HG12      VAL  10   1.578  -2.363  10.486
   70   HG13  VAL  10          HG13      VAL  10   2.210  -0.729  10.687
   71   HG21  VAL  10          HG21      VAL  10   0.832  -1.716   6.796
   72   HG22  VAL  10          HG22      VAL  10   0.850  -3.018   7.984
   73   HG23  VAL  10          HG23      VAL  10   2.366  -2.294   7.445
   74    H    ALA  11           HN       ALA  11   0.034   1.612   9.286
   75    HA   ALA  11           HA       ALA  11   0.350   1.902  12.142
   76    HB1  ALA  11           HB1      ALA  11   0.465   4.316  11.629
   77    HB2  ALA  11           HB2      ALA  11   0.020   3.973   9.958
   78    HB3  ALA  11           HB3      ALA  11   1.553   3.382  10.601
   79    H    SER  12           HN       SER  12  -2.242   1.056  10.554
   80    HA   SER  12           HA       SER  12  -4.113   2.843  12.006
   81    HB2  SER  12           HB2      SER  12  -4.281   2.885   9.504
   82    HB3  SER  12           HB1      SER  12  -4.668   1.168   9.543
   83    HG   SER  12           HG       SER  12  -6.153   3.378  10.406
   84    H    LEU  13           HN       LEU  13  -2.858   0.771  13.347
   85    HA   LEU  13           HA       LEU  13  -5.164  -0.857  14.059
   86    HB2  LEU  13           HB2      LEU  13  -4.367  -2.379  12.494
   87    HB3  LEU  13           HB1      LEU  13  -2.685  -1.988  12.788
   88    HG   LEU  13           HG       LEU  13  -2.827  -3.126  15.006
   89   HD11  LEU  13          HD11      LEU  13  -5.664  -3.705  14.103
   90   HD12  LEU  13          HD12      LEU  13  -5.191  -2.716  15.484
   91   HD13  LEU  13          HD13      LEU  13  -4.881  -4.452  15.495
   92   HD21  LEU  13          HD21      LEU  13  -3.847  -4.772  12.671
   93   HD22  LEU  13          HD22      LEU  13  -3.112  -5.427  14.135
   94   HD23  LEU  13          HD23      LEU  13  -2.155  -4.431  13.038
   95    HA   PRO  14           HA       PRO  14  -1.898  -1.438  17.569
   96    HB2  PRO  14           HB2      PRO  14   0.483  -0.050  17.321
   97    HB3  PRO  14           HB1      PRO  14   0.263  -1.732  16.797
   98    HG2  PRO  14           HG2      PRO  14   0.112   0.778  15.172
   99    HG3  PRO  14           HG1      PRO  14   0.955  -0.741  14.811
  100    HD2  PRO  14           HD2      PRO  14  -1.417  -0.231  13.689
  101    HD3  PRO  14           HD1      PRO  14  -1.023  -1.866  14.272
  102    H    LEU  15           HN       LEU  15  -1.335   1.744  16.025
  103    HA   LEU  15           HA       LEU  15  -1.404   3.253  18.402
  104    HB2  LEU  15           HB2      LEU  15  -1.987   4.025  15.537
  105    HB3  LEU  15           HB1      LEU  15  -1.863   5.187  16.854
  106    HG   LEU  15           HG       LEU  15   0.328   3.208  16.172
  107   HD11  LEU  15          HD11      LEU  15   1.447   5.279  15.177
  108   HD12  LEU  15          HD12      LEU  15  -0.148   6.035  15.207
  109   HD13  LEU  15          HD13      LEU  15   0.123   4.586  14.238
  110   HD21  LEU  15          HD21      LEU  15   0.048   5.530  18.077
  111   HD22  LEU  15          HD22      LEU  15   1.632   5.181  17.389
  112   HD23  LEU  15          HD23      LEU  15   0.797   3.956  18.337
  113    H    LEU  16           HN       LEU  16  -3.950   2.446  16.067
  114    HA   LEU  16           HA       LEU  16  -6.004   3.977  17.267
  115    HB2  LEU  16           HB2      LEU  16  -6.161   1.449  15.609
  116    HB3  LEU  16           HB1      LEU  16  -7.541   2.466  16.022
  117    HG   LEU  16           HG       LEU  16  -5.095   3.402  14.492
  118   HD11  LEU  16          HD11      LEU  16  -6.443   3.293  12.516
  119   HD12  LEU  16          HD12      LEU  16  -7.898   2.939  13.448
  120   HD13  LEU  16          HD13      LEU  16  -6.615   1.735  13.325
  121   HD21  LEU  16          HD21      LEU  16  -7.590   4.753  15.501
  122   HD22  LEU  16          HD22      LEU  16  -6.916   5.279  13.960
  123   HD23  LEU  16          HD23      LEU  16  -5.939   5.366  15.421
  124    H    ASN  17           HN       ASN  17  -4.860   0.691  17.758
  125    HA   ASN  17           HA       ASN  17  -6.892  -0.215  19.471
  126    HB2  ASN  17           HB2      ASN  17  -3.992  -0.967  19.126
  127    HB3  ASN  17           HB1      ASN  17  -5.002  -1.754  20.338
  128   HD21  ASN  17          HD21      ASN  17  -3.954  -3.258  18.171
  129   HD22  ASN  17          HD22      ASN  17  -5.233  -3.709  17.150
  130    H    VAL  18           HN       VAL  18  -3.901   1.578  20.146
  131    HA   VAL  18           HA       VAL  18  -4.040   1.443  22.964
  132    HB   VAL  18           HB       VAL  18  -2.823   3.512  21.121
  133   HG11  VAL  18          HG11      VAL  18  -3.173   4.644  23.198
  134   HG12  VAL  18          HG12      VAL  18  -1.495   4.100  23.227
  135   HG13  VAL  18          HG13      VAL  18  -2.725   3.217  24.132
  136   HG21  VAL  18          HG21      VAL  18  -1.561   1.331  22.810
  137   HG22  VAL  18          HG22      VAL  18  -0.742   2.370  21.643
  138   HG23  VAL  18          HG23      VAL  18  -1.909   1.168  21.088
  139    H    ILE  19           HN       ILE  19  -5.247   3.871  20.661
  140    HA   ILE  19           HA       ILE  19  -6.438   5.557  22.622
  141    HB   ILE  19           HB       ILE  19  -7.190   5.260  19.707
  142   HG12  ILE  19          HG12      ILE  19  -4.797   5.680  19.883
  143   HG13  ILE  19          HG11      ILE  19  -5.598   7.159  19.364
  144   HG21  ILE  19          HG21      ILE  19  -7.566   7.482  21.732
  145   HG22  ILE  19          HG22      ILE  19  -8.830   6.537  20.946
  146   HG23  ILE  19          HG23      ILE  19  -7.856   7.664  20.002
  147   HD11  ILE  19          HD11      ILE  19  -5.656   7.684  21.958
  148   HD12  ILE  19          HD12      ILE  19  -4.183   7.962  21.033
  149   HD13  ILE  19          HD13      ILE  19  -4.345   6.506  22.013
  150    H    ALA  20           HN       ALA  20  -7.658   2.942  20.577
  151    HA   ALA  20           HA       ALA  20 -10.349   3.150  21.618
  152    HB1  ALA  20           HB1      ALA  20 -10.843   1.283  20.175
  153    HB2  ALA  20           HB2      ALA  20  -9.128   0.925  19.975
  154    HB3  ALA  20           HB3      ALA  20  -9.807   2.400  19.286
  155    HN1  NH2  21           H2       NH2  21  -8.232   0.681  23.931
  156    HN2  NH2  21           H1       NH2  21  -7.528   1.854  22.926
  Start of MODEL   17
    1    H1   ACE   0           HA2      ACE   0  -1.253  -5.506   8.764
    2    H2   ACE   0           HA3      ACE   0  -0.066  -5.824  10.028
    3    H3   ACE   0           HA1      ACE   0  -1.332  -7.003   9.690
    4    H    LEU   1           HN       LEU   1  -1.229  -8.217   7.734
    5    HA   LEU   1           HA       LEU   1   1.501  -8.710   6.820
    6    HB2  LEU   1           HB2      LEU   1  -1.131 -10.106   6.305
    7    HB3  LEU   1           HB1      LEU   1   0.408 -10.641   5.635
    8    HG   LEU   1           HG       LEU   1  -0.072 -10.273   8.607
    9   HD11  LEU   1          HD11      LEU   1  -1.609 -11.978   7.815
   10   HD12  LEU   1          HD12      LEU   1  -0.271 -12.777   8.642
   11   HD13  LEU   1          HD13      LEU   1  -0.329 -12.752   6.880
   12   HD21  LEU   1          HD21      LEU   1   2.141 -11.451   6.917
   13   HD22  LEU   1          HD22      LEU   1   1.891 -12.017   8.566
   14   HD23  LEU   1          HD23      LEU   1   2.262 -10.323   8.267
   15    H    GLY   2           HN       GLY   2  -1.093  -6.796   5.895
   16    HA2  GLY   2           HA2      GLY   2   0.027  -6.466   3.180
   17    HA3  GLY   2           HA1      GLY   2  -1.699  -6.746   3.367
   18    H    LEU   3           HN       LEU   3  -1.710  -5.160   5.919
   19    HA   LEU   3           HA       LEU   3  -2.150  -2.585   4.664
   20    HB2  LEU   3           HB2      LEU   3  -2.546  -3.549   7.500
   21    HB3  LEU   3           HB1      LEU   3  -2.972  -1.935   6.936
   22    HG   LEU   3           HG       LEU   3  -4.051  -4.506   5.742
   23   HD11  LEU   3          HD11      LEU   3  -5.363  -2.553   7.657
   24   HD12  LEU   3          HD12      LEU   3  -4.796  -4.170   8.077
   25   HD13  LEU   3          HD13      LEU   3  -6.129  -3.972   6.940
   26   HD21  LEU   3          HD21      LEU   3  -4.347  -2.928   4.051
   27   HD22  LEU   3          HD22      LEU   3  -4.451  -1.573   5.175
   28   HD23  LEU   3          HD23      LEU   3  -5.823  -2.662   4.973
   29    H    LEU   4           HN       LEU   4   0.444  -4.099   6.274
   30    HA   LEU   4           HA       LEU   4   1.556  -1.915   7.666
   31    HB2  LEU   4           HB2      LEU   4   2.341  -4.217   7.985
   32    HB3  LEU   4           HB1      LEU   4   2.943  -4.257   6.331
   33    HG   LEU   4           HG       LEU   4   4.538  -2.459   6.841
   34   HD11  LEU   4          HD11      LEU   4   3.585  -1.079   8.465
   35   HD12  LEU   4          HD12      LEU   4   4.750  -1.976   9.433
   36   HD13  LEU   4          HD13      LEU   4   3.049  -2.434   9.458
   37   HD21  LEU   4          HD21      LEU   4   5.257  -4.766   7.234
   38   HD22  LEU   4          HD22      LEU   4   4.562  -4.730   8.855
   39   HD23  LEU   4          HD23      LEU   4   5.950  -3.713   8.468
   40    H    SER   5           HN       SER   5   2.051  -3.067   4.334
   41    HA   SER   5           HA       SER   5   3.914  -1.067   3.579
   42    HB2  SER   5           HB2      SER   5   3.558  -3.131   2.276
   43    HB3  SER   5           HB1      SER   5   1.932  -2.594   1.868
   44    HG   SER   5           HG       SER   5   3.102  -0.637   1.053
   45    H    TYR   6           HN       TYR   6   0.393  -1.295   3.346
   46    HA   TYR   6           HA       TYR   6  -0.059   1.126   1.979
   47    HB2  TYR   6           HB2      TYR   6  -1.780  -0.577   2.145
   48    HB3  TYR   6           HB1      TYR   6  -1.820  -0.410   3.898
   49    HD1  TYR   6           HD2      TYR   6  -2.193   1.639   0.778
   50    HD2  TYR   6           HD1      TYR   6  -3.367   1.052   4.871
   51    HE1  TYR   6           HE2      TYR   6  -3.864   3.463   0.566
   52    HE2  TYR   6           HE1      TYR   6  -5.032   2.868   4.658
   53    HH   TYR   6           HH       TYR   6  -5.783   4.532   3.362
   54    H    GLY   7           HN       GLY   7   0.148   0.360   5.430
   55    HA2  GLY   7           HA2      GLY   7  -0.628   2.859   6.456
   56    HA3  GLY   7           HA1      GLY   7   0.410   1.701   7.282
   57    H    ALA   8           HN       ALA   8   2.456   1.684   5.236
   58    HA   ALA   8           HA       ALA   8   4.450   2.724   4.805
   59    HB1  ALA   8           HB1      ALA   8   2.726   5.197   4.655
   60    HB2  ALA   8           HB2      ALA   8   2.946   4.044   3.340
   61    HB3  ALA   8           HB3      ALA   8   4.318   4.980   3.935
   62    H    GLY   9           HN       GLY   9   2.904   3.129   7.639
   63    HA2  GLY   9           HA2      GLY   9   3.884   3.603   9.704
   64    HA3  GLY   9           HA1      GLY   9   5.243   4.347   8.870
   65    H    VAL  10           HN       VAL  10   2.038   5.274   7.968
   66    HA   VAL  10           HA       VAL  10   2.479   8.017   8.508
   67    HB   VAL  10           HB       VAL  10  -0.083   6.487   8.006
   68   HG11  VAL  10          HG11      VAL  10  -0.712   8.522   9.107
   69   HG12  VAL  10          HG12      VAL  10  -0.937   8.807   7.381
   70   HG13  VAL  10          HG13      VAL  10   0.481   9.456   8.203
   71   HG21  VAL  10          HG21      VAL  10   1.795   6.639   6.226
   72   HG22  VAL  10          HG22      VAL  10   1.384   8.348   6.129
   73   HG23  VAL  10          HG23      VAL  10   0.175   7.127   5.739
   74    H    ALA  11           HN       ALA  11   1.394   5.393  10.434
   75    HA   ALA  11           HA       ALA  11   1.121   5.285  12.726
   76    HB1  ALA  11           HB1      ALA  11   0.838   8.267  12.978
   77    HB2  ALA  11           HB2      ALA  11   2.430   7.571  12.677
   78    HB3  ALA  11           HB3      ALA  11   1.523   7.106  14.115
   79    H    SER  12           HN       SER  12  -0.845   6.902  10.484
   80    HA   SER  12           HA       SER  12  -3.170   7.120  12.231
   81    HB2  SER  12           HB2      SER  12  -2.845   7.565   9.255
   82    HB3  SER  12           HB1      SER  12  -4.325   7.859  10.160
   83    HG   SER  12           HG       SER  12  -3.237   9.777  10.097
   84    H    LEU  13           HN       LEU  13  -1.647   4.724  10.432
   85    HA   LEU  13           HA       LEU  13  -4.125   3.111  10.263
   86    HB2  LEU  13           HB2      LEU  13  -2.162   3.738   8.258
   87    HB3  LEU  13           HB1      LEU  13  -2.063   2.014   8.577
   88    HG   LEU  13           HG       LEU  13  -3.643   2.445   6.775
   89   HD11  LEU  13          HD11      LEU  13  -5.240   0.957   7.477
   90   HD12  LEU  13          HD12      LEU  13  -5.541   1.801   8.994
   91   HD13  LEU  13          HD13      LEU  13  -4.123   0.766   8.825
   92   HD21  LEU  13          HD21      LEU  13  -5.536   3.905   8.594
   93   HD22  LEU  13          HD22      LEU  13  -5.374   3.982   6.842
   94   HD23  LEU  13          HD23      LEU  13  -4.207   4.812   7.867
   95    HA   PRO  14           HA       PRO  14  -0.486   0.131  11.635
   96    HB2  PRO  14           HB2      PRO  14   1.246   2.167  12.992
   97    HB3  PRO  14           HB1      PRO  14   1.711   0.721  12.072
   98    HG2  PRO  14           HG2      PRO  14   1.971   3.141  11.016
   99    HG3  PRO  14           HG1      PRO  14   1.428   1.771  10.028
  100    HD2  PRO  14           HD2      PRO  14  -0.189   4.019  11.193
  101    HD3  PRO  14           HD1      PRO  14  -0.346   3.220   9.613
  102    H    LEU  15           HN       LEU  15  -0.992   3.044  13.653
  103    HA   LEU  15           HA       LEU  15  -1.121   1.669  16.116
  104    HB2  LEU  15           HB2      LEU  15  -2.247   4.333  15.244
  105    HB3  LEU  15           HB1      LEU  15  -2.345   3.745  16.901
  106    HG   LEU  15           HG       LEU  15   0.244   4.063  15.350
  107   HD11  LEU  15          HD11      LEU  15  -1.049   5.854  17.428
  108   HD12  LEU  15          HD12      LEU  15  -0.783   6.246  15.729
  109   HD13  LEU  15          HD13      LEU  15   0.593   6.049  16.815
  110   HD21  LEU  15          HD21      LEU  15   0.804   2.557  17.029
  111   HD22  LEU  15          HD22      LEU  15  -0.465   3.116  18.114
  112   HD23  LEU  15          HD23      LEU  15   1.011   4.058  17.924
  113    H    LEU  16           HN       LEU  16  -3.638   2.615  13.808
  114    HA   LEU  16           HA       LEU  16  -5.846   1.788  15.361
  115    HB2  LEU  16           HB2      LEU  16  -5.391   2.199  12.412
  116    HB3  LEU  16           HB1      LEU  16  -6.910   1.509  12.982
  117    HG   LEU  16           HG       LEU  16  -7.240   3.464  14.461
  118   HD11  LEU  16          HD11      LEU  16  -5.699   5.459  13.980
  119   HD12  LEU  16          HD12      LEU  16  -4.603   4.297  13.232
  120   HD13  LEU  16          HD13      LEU  16  -5.007   4.152  14.942
  121   HD21  LEU  16          HD21      LEU  16  -8.176   3.501  12.187
  122   HD22  LEU  16          HD22      LEU  16  -6.661   4.151  11.560
  123   HD23  LEU  16          HD23      LEU  16  -7.651   5.122  12.652
  124    H    ASN  17           HN       ASN  17  -3.805   0.062  13.036
  125    HA   ASN  17           HA       ASN  17  -5.264  -2.347  12.974
  126    HB2  ASN  17           HB2      ASN  17  -3.529  -1.845  11.339
  127    HB3  ASN  17           HB1      ASN  17  -2.303  -1.846  12.607
  128   HD21  ASN  17          HD21      ASN  17  -4.684  -3.983  10.982
  129   HD22  ASN  17          HD22      ASN  17  -3.841  -5.420  11.302
  130    H    VAL  18           HN       VAL  18  -2.629  -1.244  15.083
  131    HA   VAL  18           HA       VAL  18  -2.334  -3.673  16.525
  132    HB   VAL  18           HB       VAL  18  -1.664  -0.809  17.234
  133   HG11  VAL  18          HG11      VAL  18  -1.198  -3.400  18.722
  134   HG12  VAL  18          HG12      VAL  18  -1.858  -1.888  19.345
  135   HG13  VAL  18          HG13      VAL  18  -0.144  -2.006  18.950
  136   HG21  VAL  18          HG21      VAL  18   0.002  -3.186  16.343
  137   HG22  VAL  18          HG22      VAL  18   0.642  -1.600  16.766
  138   HG23  VAL  18          HG23      VAL  18  -0.398  -1.782  15.356
  139    H    ILE  19           HN       ILE  19  -4.171  -0.702  17.186
  140    HA   ILE  19           HA       ILE  19  -5.277  -1.564  19.650
  141    HB   ILE  19           HB       ILE  19  -6.223   0.472  17.621
  142   HG12  ILE  19          HG12      ILE  19  -4.064   0.987  18.680
  143   HG13  ILE  19          HG11      ILE  19  -5.307   2.104  19.222
  144   HG21  ILE  19          HG21      ILE  19  -7.525   1.353  19.671
  145   HG22  ILE  19          HG22      ILE  19  -7.302  -0.265  20.336
  146   HG23  ILE  19          HG23      ILE  19  -8.183  -0.048  18.823
  147   HD11  ILE  19          HD11      ILE  19  -5.503   0.186  21.165
  148   HD12  ILE  19          HD12      ILE  19  -4.463   1.600  21.286
  149   HD13  ILE  19          HD13      ILE  19  -3.795   0.061  20.751
  150    H    ALA  20           HN       ALA  20  -6.436  -1.701  16.303
  151    HA   ALA  20           HA       ALA  20  -8.932  -2.942  17.000
  152    HB1  ALA  20           HB1      ALA  20  -7.622  -3.012  14.283
  153    HB2  ALA  20           HB2      ALA  20  -8.435  -1.573  14.899
  154    HB3  ALA  20           HB3      ALA  20  -9.342  -3.067  14.669
  155    HN1  NH2  21           H2       NH2  21  -6.132  -5.810  16.245
  156    HN2  NH2  21           H1       NH2  21  -5.738  -4.173  16.038
  Start of MODEL   18
    1    H1   ACE   0           HA2      ACE   0   3.863  -4.320  -3.669
    2    H2   ACE   0           HA3      ACE   0   5.052  -3.018  -3.747
    3    H3   ACE   0           HA1      ACE   0   4.048  -3.211  -2.309
    4    H    LEU   1           HN       LEU   1   6.862  -3.110  -2.232
    5    HA   LEU   1           HA       LEU   1   8.116  -5.636  -2.188
    6    HB2  LEU   1           HB2      LEU   1   8.718  -3.070  -0.713
    7    HB3  LEU   1           HB1      LEU   1   9.776  -4.477  -0.680
    8    HG   LEU   1           HG       LEU   1   8.876  -3.113  -3.234
    9   HD11  LEU   1          HD11      LEU   1  11.520  -2.817  -1.778
   10   HD12  LEU   1          HD12      LEU   1  10.233  -1.612  -1.762
   11   HD13  LEU   1          HD13      LEU   1  11.045  -2.012  -3.275
   12   HD21  LEU   1          HD21      LEU   1  10.764  -5.368  -2.566
   13   HD22  LEU   1          HD22      LEU   1  11.123  -4.338  -3.952
   14   HD23  LEU   1          HD23      LEU   1   9.609  -5.232  -3.892
   15    H    GLY   2           HN       GLY   2   6.433  -3.781   0.313
   16    HA2  GLY   2           HA2      GLY   2   6.054  -6.246   1.870
   17    HA3  GLY   2           HA1      GLY   2   6.845  -4.886   2.666
   18    H    LEU   3           HN       LEU   3   4.161  -4.961   0.342
   19    HA   LEU   3           HA       LEU   3   2.132  -3.861   0.388
   20    HB2  LEU   3           HB2      LEU   3   2.091  -5.065   3.164
   21    HB3  LEU   3           HB1      LEU   3   0.689  -4.577   2.214
   22    HG   LEU   3           HG       LEU   3   2.678  -6.722   1.407
   23   HD11  LEU   3          HD11      LEU   3   1.142  -7.212   3.385
   24   HD12  LEU   3          HD12      LEU   3   1.010  -8.322   2.021
   25   HD13  LEU   3          HD13      LEU   3  -0.205  -7.067   2.257
   26   HD21  LEU   3          HD21      LEU   3   1.791  -5.922  -0.617
   27   HD22  LEU   3          HD22      LEU   3   0.234  -5.518   0.106
   28   HD23  LEU   3          HD23      LEU   3   0.651  -7.201  -0.210
   29    H    LEU   4           HN       LEU   4   4.580  -2.484   1.643
   30    HA   LEU   4           HA       LEU   4   3.700  -0.852   3.776
   31    HB2  LEU   4           HB2      LEU   4   5.812  -0.435   1.656
   32    HB3  LEU   4           HB1      LEU   4   5.564   0.679   2.998
   33    HG   LEU   4           HG       LEU   4   6.081  -2.288   3.366
   34   HD11  LEU   4          HD11      LEU   4   8.042  -1.425   2.308
   35   HD12  LEU   4          HD12      LEU   4   8.408  -1.478   4.032
   36   HD13  LEU   4          HD13      LEU   4   7.993   0.055   3.266
   37   HD21  LEU   4          HD21      LEU   4   5.827   0.093   5.205
   38   HD22  LEU   4          HD22      LEU   4   6.901  -1.226   5.662
   39   HD23  LEU   4          HD23      LEU   4   5.192  -1.541   5.397
   40    H    SER   5           HN       SER   5   3.663  -0.341   0.256
   41    HA   SER   5           HA       SER   5   2.649   2.292   0.315
   42    HB2  SER   5           HB2      SER   5   2.450   0.130  -1.784
   43    HB3  SER   5           HB1      SER   5   1.906   1.785  -2.037
   44    HG   SER   5           HG       SER   5   3.927   2.449  -2.081
   45    H    TYR   6           HN       TYR   6   0.991  -0.843   0.043
   46    HA   TYR   6           HA       TYR   6  -1.626   0.279  -0.109
   47    HB2  TYR   6           HB2      TYR   6  -0.672  -2.496   0.625
   48    HB3  TYR   6           HB1      TYR   6  -2.366  -2.058   0.393
   49    HD1  TYR   6           HD1      TYR   6  -3.106  -1.128  -1.845
   50    HD2  TYR   6           HD2      TYR   6   0.762  -2.890  -1.237
   51    HE1  TYR   6           HE1      TYR   6  -2.839  -1.391  -4.297
   52    HE2  TYR   6           HE2      TYR   6   1.030  -3.154  -3.686
   53    HH   TYR   6           HH       TYR   6  -0.367  -1.622  -5.862
   54    H    GLY   7           HN       GLY   7   0.344  -1.011   2.534
   55    HA2  GLY   7           HA2      GLY   7  -1.638  -0.870   4.550
   56    HA3  GLY   7           HA1      GLY   7   0.101  -0.917   4.820
   57    H    ALA   8           HN       ALA   8   0.734   1.468   3.359
   58    HA   ALA   8           HA       ALA   8   1.090   3.689   3.875
   59    HB1  ALA   8           HB1      ALA   8  -1.888   3.711   4.396
   60    HB2  ALA   8           HB2      ALA   8  -1.188   3.701   2.777
   61    HB3  ALA   8           HB3      ALA   8  -0.879   5.056   3.862
   62    H    GLY   9           HN       GLY   9   0.909   1.594   6.112
   63    HA2  GLY   9           HA2      GLY   9   1.877   2.585   8.287
   64    HA3  GLY   9           HA1      GLY   9   0.301   3.365   8.405
   65    H    VAL  10           HN       VAL  10   1.868   0.187   8.149
   66    HA   VAL  10           HA       VAL  10  -0.407  -1.369   8.741
   67    HB   VAL  10           HB       VAL  10   2.540  -1.908   9.160
   68   HG11  VAL  10          HG11      VAL  10   1.700  -4.341   9.179
   69   HG12  VAL  10          HG12      VAL  10   0.106  -3.667   9.518
   70   HG13  VAL  10          HG13      VAL  10   1.435  -3.399  10.647
   71   HG21  VAL  10          HG21      VAL  10   2.156  -3.353   7.134
   72   HG22  VAL  10          HG22      VAL  10   1.932  -1.632   6.826
   73   HG23  VAL  10          HG23      VAL  10   0.529  -2.682   7.024
   74    H    ALA  11           HN       ALA  11   2.137  -0.047  10.844
   75    HA   ALA  11           HA       ALA  11   1.061  -1.151  13.250
   76    HB1  ALA  11           HB1      ALA  11   2.879   1.248  13.009
   77    HB2  ALA  11           HB2      ALA  11   3.450  -0.417  12.887
   78    HB3  ALA  11           HB3      ALA  11   2.713   0.156  14.383
   79    H    SER  12           HN       SER  12   0.277   1.595  11.344
   80    HA   SER  12           HA       SER  12  -0.772   3.299  13.352
   81    HB2  SER  12           HB2      SER  12  -0.217   4.004  11.019
   82    HB3  SER  12           HB1      SER  12  -1.628   3.112  10.458
   83    HG   SER  12           HG       SER  12  -2.546   4.986  10.852
   84    H    LEU  13           HN       LEU  13  -1.839   0.290  12.323
   85    HA   LEU  13           HA       LEU  13  -4.683   0.852  12.707
   86    HB2  LEU  13           HB2      LEU  13  -3.064  -1.362  11.571
   87    HB3  LEU  13           HB1      LEU  13  -4.561  -1.852  12.355
   88    HG   LEU  13           HG       LEU  13  -4.795  -1.405   9.899
   89   HD11  LEU  13          HD11      LEU  13  -6.614  -0.915  11.800
   90   HD12  LEU  13          HD12      LEU  13  -6.919  -0.537  10.109
   91   HD13  LEU  13          HD13      LEU  13  -6.426   0.739  11.215
   92   HD21  LEU  13          HD21      LEU  13  -3.098   0.587  10.104
   93   HD22  LEU  13          HD22      LEU  13  -4.530   1.538  10.500
   94   HD23  LEU  13          HD23      LEU  13  -4.426   0.706   8.951
   95    HA   PRO  14           HA       PRO  14  -4.162  -2.323  16.300
   96    HB2  PRO  14           HB2      PRO  14  -1.547  -2.849  17.091
   97    HB3  PRO  14           HB1      PRO  14  -2.486  -3.869  15.985
   98    HG2  PRO  14           HG2      PRO  14  -0.473  -1.752  15.349
   99    HG3  PRO  14           HG1      PRO  14  -0.675  -3.364  14.631
  100    HD2  PRO  14           HD2      PRO  14  -1.576  -1.192  13.356
  101    HD3  PRO  14           HD1      PRO  14  -2.513  -2.705  13.339
  102    H    LEU  15           HN       LEU  15  -1.587   0.141  16.117
  103    HA   LEU  15           HA       LEU  15  -1.521   0.755  18.871
  104    HB2  LEU  15           HB2      LEU  15  -0.857   2.436  16.446
  105    HB3  LEU  15           HB1      LEU  15  -0.518   2.929  18.103
  106    HG   LEU  15           HG       LEU  15   0.500   0.357  16.860
  107   HD11  LEU  15          HD11      LEU  15   2.682   1.535  16.726
  108   HD12  LEU  15          HD12      LEU  15   1.890   3.024  17.245
  109   HD13  LEU  15          HD13      LEU  15   1.460   2.290  15.701
  110   HD21  LEU  15          HD21      LEU  15   2.188   0.768  18.869
  111   HD22  LEU  15          HD22      LEU  15   0.630   0.010  19.170
  112   HD23  LEU  15          HD23      LEU  15   0.859   1.721  19.526
  113    H    LEU  16           HN       LEU  16  -3.379   2.116  16.196
  114    HA   LEU  16           HA       LEU  16  -4.671   4.148  17.685
  115    HB2  LEU  16           HB2      LEU  16  -5.203   2.781  15.063
  116    HB3  LEU  16           HB1      LEU  16  -6.414   3.866  15.734
  117    HG   LEU  16           HG       LEU  16  -4.721   4.897  14.107
  118   HD11  LEU  16          HD11      LEU  16  -4.626   6.260  16.797
  119   HD12  LEU  16          HD12      LEU  16  -6.135   6.134  15.898
  120   HD13  LEU  16          HD13      LEU  16  -4.760   6.979  15.196
  121   HD21  LEU  16          HD21      LEU  16  -2.773   3.649  15.263
  122   HD22  LEU  16          HD22      LEU  16  -2.855   4.918  16.482
  123   HD23  LEU  16          HD23      LEU  16  -2.507   5.327  14.805
  124    H    ASN  17           HN       ASN  17  -5.475   0.780  17.017
  125    HA   ASN  17           HA       ASN  17  -8.102   0.783  18.016
  126    HB2  ASN  17           HB2      ASN  17  -7.223  -1.089  16.729
  127    HB3  ASN  17           HB1      ASN  17  -6.047  -1.439  17.995
  128   HD21  ASN  17          HD21      ASN  17  -9.274  -2.053  16.941
  129   HD22  ASN  17          HD22      ASN  17  -9.802  -2.866  18.334
  130    H    VAL  18           HN       VAL  18  -4.985   0.309  19.646
  131    HA   VAL  18           HA       VAL  18  -6.016  -0.407  22.180
  132    HB   VAL  18           HB       VAL  18  -3.435   0.986  21.423
  133   HG11  VAL  18          HG11      VAL  18  -4.419  -0.177  24.036
  134   HG12  VAL  18          HG12      VAL  18  -3.804   1.450  23.740
  135   HG13  VAL  18          HG13      VAL  18  -2.708   0.069  23.694
  136   HG21  VAL  18          HG21      VAL  18  -2.459  -1.207  21.535
  137   HG22  VAL  18          HG22      VAL  18  -3.904  -1.351  20.536
  138   HG23  VAL  18          HG23      VAL  18  -3.935  -1.896  22.212
  139    H    ILE  19           HN       ILE  19  -5.100   2.727  20.788
  140    HA   ILE  19           HA       ILE  19  -5.716   4.300  23.064
  141    HB   ILE  19           HB       ILE  19  -5.667   4.970  20.111
  142   HG12  ILE  19          HG12      ILE  19  -3.497   4.265  21.018
  143   HG13  ILE  19          HG11      ILE  19  -3.476   5.986  20.657
  144   HG21  ILE  19          HG21      ILE  19  -5.421   7.353  20.977
  145   HG22  ILE  19          HG22      ILE  19  -5.971   6.745  22.538
  146   HG23  ILE  19          HG23      ILE  19  -7.027   6.643  21.130
  147   HD11  ILE  19          HD11      ILE  19  -3.406   4.599  23.305
  148   HD12  ILE  19          HD12      ILE  19  -4.218   6.160  23.230
  149   HD13  ILE  19          HD13      ILE  19  -2.526   6.024  22.764
  150    H    ALA  20           HN       ALA  20  -7.588   3.334  20.219
  151    HA   ALA  20           HA       ALA  20  -9.953   4.761  20.999
  152    HB1  ALA  20           HB1      ALA  20  -9.423   2.592  18.965
  153    HB2  ALA  20           HB2      ALA  20  -9.688   4.310  18.673
  154    HB3  ALA  20           HB3      ALA  20 -11.021   3.291  19.221
  155    HN1  NH2  21           H2       NH2  21 -10.000   1.067  22.676
  156    HN2  NH2  21           H1       NH2  21  -8.646   1.615  21.813
  Start of MODEL   19
    1    H1   ACE   0           HA2      ACE   0   7.198  -0.595  -0.348
    2    H2   ACE   0           HA3      ACE   0   6.160  -0.317  -1.746
    3    H3   ACE   0           HA1      ACE   0   7.905  -0.099  -1.887
    4    H    LEU   1           HN       LEU   1   7.762  -2.643   0.054
    5    HA   LEU   1           HA       LEU   1   8.515  -4.535  -1.904
    6    HB2  LEU   1           HB2      LEU   1   7.616  -4.878   0.964
    7    HB3  LEU   1           HB1      LEU   1   8.247  -6.192  -0.023
    8    HG   LEU   1           HG       LEU   1   9.756  -3.610   0.467
    9   HD11  LEU   1          HD11      LEU   1   9.429  -4.692   2.614
   10   HD12  LEU   1          HD12      LEU   1  11.092  -4.970   2.097
   11   HD13  LEU   1          HD13      LEU   1   9.895  -6.255   1.941
   12   HD21  LEU   1          HD21      LEU   1  10.755  -4.619  -1.401
   13   HD22  LEU   1          HD22      LEU   1  10.396  -6.252  -0.845
   14   HD23  LEU   1          HD23      LEU   1  11.688  -5.326  -0.088
   15    H    GLY   2           HN       GLY   2   5.480  -3.934  -0.200
   16    HA2  GLY   2           HA2      GLY   2   3.694  -4.557  -2.140
   17    HA3  GLY   2           HA1      GLY   2   4.110  -6.137  -1.482
   18    H    LEU   3           HN       LEU   3   4.512  -5.287   1.220
   19    HA   LEU   3           HA       LEU   3   1.697  -4.937   2.037
   20    HB2  LEU   3           HB2      LEU   3   4.112  -5.884   3.600
   21    HB3  LEU   3           HB1      LEU   3   2.462  -5.798   4.216
   22    HG   LEU   3           HG       LEU   3   3.328  -7.454   1.826
   23   HD11  LEU   3          HD11      LEU   3   3.192  -9.374   3.267
   24   HD12  LEU   3          HD12      LEU   3   2.537  -8.409   4.590
   25   HD13  LEU   3          HD13      LEU   3   4.214  -8.193   4.087
   26   HD21  LEU   3          HD21      LEU   3   1.045  -7.077   1.478
   27   HD22  LEU   3          HD22      LEU   3   0.693  -6.947   3.201
   28   HD23  LEU   3          HD23      LEU   3   0.989  -8.526   2.476
   29    H    LEU   4           HN       LEU   4   4.701  -3.290   1.935
   30    HA   LEU   4           HA       LEU   4   4.441  -1.617   4.187
   31    HB2  LEU   4           HB2      LEU   4   6.556  -1.846   2.980
   32    HB3  LEU   4           HB1      LEU   4   5.839  -1.110   1.550
   33    HG   LEU   4           HG       LEU   4   5.509   0.998   2.757
   34   HD11  LEU   4          HD11      LEU   4   6.454  -0.649   5.098
   35   HD12  LEU   4          HD12      LEU   4   5.084   0.458   5.001
   36   HD13  LEU   4          HD13      LEU   4   6.725   1.093   5.085
   37   HD21  LEU   4          HD21      LEU   4   7.848   1.629   3.007
   38   HD22  LEU   4          HD22      LEU   4   7.703   0.508   1.655
   39   HD23  LEU   4          HD23      LEU   4   8.317  -0.059   3.206
   40    H    SER   5           HN       SER   5   3.330  -1.250   0.838
   41    HA   SER   5           HA       SER   5   2.420   1.399   1.021
   42    HB2  SER   5           HB2      SER   5   2.639   0.201  -1.112
   43    HB3  SER   5           HB1      SER   5   1.313  -0.864  -0.657
   44    HG   SER   5           HG       SER   5   0.515   0.818  -1.910
   45    H    TYR   6           HN       TYR   6   0.682  -1.659   1.624
   46    HA   TYR   6           HA       TYR   6  -1.798  -0.417   2.251
   47    HB2  TYR   6           HB2      TYR   6  -0.687  -3.132   2.989
   48    HB3  TYR   6           HB1      TYR   6  -2.348  -2.625   3.296
   49    HD1  TYR   6           HD2      TYR   6  -3.787  -1.886   1.322
   50    HD2  TYR   6           HD1      TYR   6  -0.027  -3.904   0.843
   51    HE1  TYR   6           HE2      TYR   6  -4.401  -2.479  -1.006
   52    HE2  TYR   6           HE1      TYR   6  -0.640  -4.496  -1.484
   53    HH   TYR   6           HH       TYR   6  -3.774  -4.257  -2.676
   54    H    GLY   7           HN       GLY   7   0.953  -1.481   4.202
   55    HA2  GLY   7           HA2      GLY   7  -0.305  -0.444   6.656
   56    HA3  GLY   7           HA1      GLY   7   1.145  -1.441   6.568
   57    H    ALA   8           HN       ALA   8   0.660   1.324   4.487
   58    HA   ALA   8           HA       ALA   8   3.142   2.491   5.065
   59    HB1  ALA   8           HB1      ALA   8   2.326   4.439   3.856
   60    HB2  ALA   8           HB2      ALA   8   0.662   3.883   4.031
   61    HB3  ALA   8           HB3      ALA   8   1.794   2.972   3.033
   62    H    GLY   9           HN       GLY   9  -0.104   3.265   6.302
   63    HA2  GLY   9           HA2      GLY   9   1.157   4.630   8.612
   64    HA3  GLY   9           HA1      GLY   9  -0.154   5.405   7.726
   65    H    VAL  10           HN       VAL  10  -1.619   2.955   7.223
   66    HA   VAL  10           HA       VAL  10  -3.236   2.891   9.538
   67    HB   VAL  10           HB       VAL  10  -3.049   0.964   7.210
   68   HG11  VAL  10          HG11      VAL  10  -4.122  -0.240   8.959
   69   HG12  VAL  10          HG12      VAL  10  -5.437   0.420   7.989
   70   HG13  VAL  10          HG13      VAL  10  -4.995   1.188   9.512
   71   HG21  VAL  10          HG21      VAL  10  -4.955   2.194   6.345
   72   HG22  VAL  10          HG22      VAL  10  -3.678   3.351   6.717
   73   HG23  VAL  10          HG23      VAL  10  -5.046   3.166   7.813
   74    H    ALA  11           HN       ALA  11  -0.826   0.598   8.287
   75    HA   ALA  11           HA       ALA  11   0.215  -1.206   9.269
   76    HB1  ALA  11           HB1      ALA  11  -0.053   0.541  11.726
   77    HB2  ALA  11           HB2      ALA  11   1.235   0.659  10.527
   78    HB3  ALA  11           HB3      ALA  11   1.081  -0.793  11.515
   79    H    SER  12           HN       SER  12  -2.622  -1.434   9.078
   80    HA   SER  12           HA       SER  12  -4.273  -2.876   9.763
   81    HB2  SER  12           HB2      SER  12  -2.168  -4.339  10.194
   82    HB3  SER  12           HB1      SER  12  -2.442  -3.961  11.890
   83    HG   SER  12           HG       SER  12  -4.005  -5.349  11.864
   84    H    LEU  13           HN       LEU  13  -3.423  -0.276  11.244
   85    HA   LEU  13           HA       LEU  13  -4.158   0.977  13.012
   86    HB2  LEU  13           HB2      LEU  13  -6.311   0.024  11.770
   87    HB3  LEU  13           HB1      LEU  13  -6.546  -0.837  13.285
   88    HG   LEU  13           HG       LEU  13  -6.046   2.154  13.280
   89   HD11  LEU  13          HD11      LEU  13  -7.923   1.868  11.785
   90   HD12  LEU  13          HD12      LEU  13  -8.539   2.408  13.347
   91   HD13  LEU  13          HD13      LEU  13  -8.678   0.712  12.883
   92   HD21  LEU  13          HD21      LEU  13  -5.944   0.863  15.418
   93   HD22  LEU  13          HD22      LEU  13  -7.593   0.316  15.134
   94   HD23  LEU  13          HD23      LEU  13  -7.266   2.028  15.399
   95    HA   PRO  14           HA       PRO  14  -3.026  -2.107  16.248
   96    HB2  PRO  14           HB2      PRO  14  -0.362  -1.708  16.414
   97    HB3  PRO  14           HB1      PRO  14  -1.075  -2.698  15.125
   98    HG2  PRO  14           HG2      PRO  14   0.103   0.012  14.967
   99    HG3  PRO  14           HG1      PRO  14  -0.076  -1.214  13.704
  100    HD2  PRO  14           HD2      PRO  14  -1.804   1.065  14.219
  101    HD3  PRO  14           HD1      PRO  14  -1.949  -0.147  12.933
  102    H    LEU  15           HN       LEU  15  -0.965   0.806  16.175
  103    HA   LEU  15           HA       LEU  15  -1.064   1.288  18.949
  104    HB2  LEU  15           HB2      LEU  15  -0.401   3.101  16.622
  105    HB3  LEU  15           HB1      LEU  15  -0.184   3.564  18.308
  106    HG   LEU  15           HG       LEU  15   1.064   1.087  17.078
  107   HD11  LEU  15          HD11      LEU  15   3.170   2.439  17.055
  108   HD12  LEU  15          HD12      LEU  15   2.219   3.864  17.474
  109   HD13  LEU  15          HD13      LEU  15   1.950   3.045  15.935
  110   HD21  LEU  15          HD21      LEU  15   1.263   2.486  19.746
  111   HD22  LEU  15          HD22      LEU  15   2.652   1.595  19.134
  112   HD23  LEU  15          HD23      LEU  15   1.127   0.763  19.402
  113    H    LEU  16           HN       LEU  16  -2.933   2.618  16.258
  114    HA   LEU  16           HA       LEU  16  -4.342   4.579  17.704
  115    HB2  LEU  16           HB2      LEU  16  -5.080   3.005  15.234
  116    HB3  LEU  16           HB1      LEU  16  -6.028   4.358  15.840
  117    HG   LEU  16           HG       LEU  16  -3.078   4.554  15.169
  118   HD11  LEU  16          HD11      LEU  16  -3.894   5.707  13.086
  119   HD12  LEU  16          HD12      LEU  16  -5.521   5.150  13.478
  120   HD13  LEU  16          HD13      LEU  16  -4.247   3.979  13.134
  121   HD21  LEU  16          HD21      LEU  16  -5.238   6.513  15.953
  122   HD22  LEU  16          HD22      LEU  16  -3.909   7.053  14.929
  123   HD23  LEU  16          HD23      LEU  16  -3.576   6.400  16.529
  124    H    ASN  17           HN       ASN  17  -4.987   1.163  17.118
  125    HA   ASN  17           HA       ASN  17  -7.587   1.036  18.174
  126    HB2  ASN  17           HB2      ASN  17  -6.585  -0.814  16.918
  127    HB3  ASN  17           HB1      ASN  17  -5.416  -1.073  18.210
  128   HD21  ASN  17          HD21      ASN  17  -6.849  -3.289  17.766
  129   HD22  ASN  17          HD22      ASN  17  -8.099  -3.494  18.895
  130    H    VAL  18           HN       VAL  18  -4.424   0.769  19.763
  131    HA   VAL  18           HA       VAL  18  -5.378   0.056  22.325
  132    HB   VAL  18           HB       VAL  18  -2.869   1.506  21.455
  133   HG11  VAL  18          HG11      VAL  18  -2.064   0.740  23.771
  134   HG12  VAL  18          HG12      VAL  18  -3.769   0.526  24.170
  135   HG13  VAL  18          HG13      VAL  18  -3.158   2.123  23.736
  136   HG21  VAL  18          HG21      VAL  18  -3.469  -1.354  22.273
  137   HG22  VAL  18          HG22      VAL  18  -1.853  -0.723  21.954
  138   HG23  VAL  18          HG23      VAL  18  -3.044  -0.796  20.655
  139    H    ILE  19           HN       ILE  19  -4.596   3.227  20.907
  140    HA   ILE  19           HA       ILE  19  -5.324   4.740  23.205
  141    HB   ILE  19           HB       ILE  19  -5.308   5.618  20.308
  142   HG12  ILE  19          HG12      ILE  19  -3.149   4.637  20.880
  143   HG13  ILE  19          HG11      ILE  19  -2.986   6.388  20.808
  144   HG21  ILE  19          HG21      ILE  19  -4.884   7.854  21.293
  145   HG22  ILE  19          HG22      ILE  19  -5.059   7.160  22.906
  146   HG23  ILE  19          HG23      ILE  19  -6.437   7.191  21.805
  147   HD11  ILE  19          HD11      ILE  19  -3.001   4.588  23.221
  148   HD12  ILE  19          HD12      ILE  19  -3.458   6.282  23.389
  149   HD13  ILE  19          HD13      ILE  19  -1.856   5.856  22.792
  150    H    ALA  20           HN       ALA  20  -7.043   3.799  20.253
  151    HA   ALA  20           HA       ALA  20  -9.498   5.104  21.111
  152    HB1  ALA  20           HB1      ALA  20  -9.171   3.189  18.801
  153    HB2  ALA  20           HB2      ALA  20  -8.709   4.887  18.693
  154    HB3  ALA  20           HB3      ALA  20 -10.387   4.449  19.010
  155    HN1  NH2  21           H2       NH2  21  -9.448   1.403  22.497
  156    HN2  NH2  21           H1       NH2  21  -8.066   2.335  22.177
  Start of MODEL   20
    1    H1   ACE   0           HA2      ACE   0   4.699  -2.468  -5.944
    2    H2   ACE   0           HA3      ACE   0   5.058  -2.105  -4.257
    3    H3   ACE   0           HA1      ACE   0   3.394  -2.051  -4.836
    4    H    LEU   1           HN       LEU   1   5.990  -4.435  -5.307
    5    HA   LEU   1           HA       LEU   1   4.309  -6.691  -5.098
    6    HB2  LEU   1           HB2      LEU   1   7.293  -6.352  -4.787
    7    HB3  LEU   1           HB1      LEU   1   6.501  -7.924  -4.793
    8    HG   LEU   1           HG       LEU   1   6.171  -5.892  -7.017
    9   HD11  LEU   1          HD11      LEU   1   8.053  -8.270  -6.942
   10   HD12  LEU   1          HD12      LEU   1   8.554  -6.591  -6.746
   11   HD13  LEU   1          HD13      LEU   1   7.851  -7.127  -8.271
   12   HD21  LEU   1          HD21      LEU   1   4.428  -7.413  -7.303
   13   HD22  LEU   1          HD22      LEU   1   5.318  -8.748  -6.574
   14   HD23  LEU   1          HD23      LEU   1   5.694  -8.227  -8.214
   15    H    GLY   2           HN       GLY   2   6.411  -5.092  -2.723
   16    HA2  GLY   2           HA2      GLY   2   4.979  -6.512  -0.555
   17    HA3  GLY   2           HA1      GLY   2   6.737  -6.441  -0.577
   18    H    LEU   3           HN       LEU   3   6.178  -3.624  -1.842
   19    HA   LEU   3           HA       LEU   3   6.661  -2.197   0.557
   20    HB2  LEU   3           HB2      LEU   3   5.961  -1.200  -2.207
   21    HB3  LEU   3           HB1      LEU   3   6.558  -0.193  -0.888
   22    HG   LEU   3           HG       LEU   3   8.033  -2.588  -2.031
   23   HD11  LEU   3          HD11      LEU   3   9.456  -0.998  -3.167
   24   HD12  LEU   3          HD12      LEU   3   8.637   0.363  -2.399
   25   HD13  LEU   3          HD13      LEU   3   7.786  -0.620  -3.591
   26   HD21  LEU   3          HD21      LEU   3   8.586  -0.631   0.195
   27   HD22  LEU   3          HD22      LEU   3   9.947  -1.228  -0.755
   28   HD23  LEU   3          HD23      LEU   3   8.918  -2.362   0.113
   29    H    LEU   4           HN       LEU   4   3.785  -3.059  -1.143
   30    HA   LEU   4           HA       LEU   4   2.049  -1.009  -0.267
   31    HB2  LEU   4           HB2      LEU   4   1.524  -3.908  -0.948
   32    HB3  LEU   4           HB1      LEU   4   0.252  -2.729  -0.647
   33    HG   LEU   4           HG       LEU   4   2.401  -2.407  -2.758
   34   HD11  LEU   4          HD11      LEU   4  -0.482  -3.300  -3.066
   35   HD12  LEU   4          HD12      LEU   4   0.929  -4.348  -3.214
   36   HD13  LEU   4          HD13      LEU   4   0.671  -3.046  -4.377
   37   HD21  LEU   4          HD21      LEU   4   0.007  -0.792  -1.896
   38   HD22  LEU   4          HD22      LEU   4   0.449  -0.798  -3.603
   39   HD23  LEU   4          HD23      LEU   4   1.605  -0.243  -2.398
   40    H    SER   5           HN       SER   5   3.000  -4.095   1.159
   41    HA   SER   5           HA       SER   5   1.274  -3.798   3.449
   42    HB2  SER   5           HB2      SER   5   3.498  -5.731   2.784
   43    HB3  SER   5           HB1      SER   5   2.570  -5.798   4.281
   44    HG   SER   5           HG       SER   5   1.928  -6.792   1.931
   45    H    TYR   6           HN       TYR   6   4.053  -2.263   2.569
   46    HA   TYR   6           HA       TYR   6   5.683  -2.306   4.854
   47    HB2  TYR   6           HB2      TYR   6   6.192  -1.276   2.592
   48    HB3  TYR   6           HB1      TYR   6   5.224   0.104   3.092
   49    HD1  TYR   6           HD1      TYR   6   5.885   1.377   5.191
   50    HD2  TYR   6           HD2      TYR   6   8.414  -1.571   3.359
   51    HE1  TYR   6           HE1      TYR   6   7.842   2.290   6.414
   52    HE2  TYR   6           HE2      TYR   6  10.366  -0.661   4.576
   53    HH   TYR   6           HH       TYR   6  10.664   0.688   6.824
   54    H    GLY   7           HN       GLY   7   2.994  -0.155   3.967
   55    HA2  GLY   7           HA2      GLY   7   1.737   0.167   6.336
   56    HA3  GLY   7           HA1      GLY   7   3.109   1.262   6.495
   57    H    ALA   8           HN       ALA   8   0.896   0.413   3.829
   58    HA   ALA   8           HA       ALA   8   0.857   2.997   2.699
   59    HB1  ALA   8           HB1      ALA   8   0.171   0.770   1.628
   60    HB2  ALA   8           HB2      ALA   8  -0.823   2.177   1.254
   61    HB3  ALA   8           HB3      ALA   8  -1.379   0.994   2.436
   62    H    GLY   9           HN       GLY   9  -0.896   1.612   5.357
   63    HA2  GLY   9           HA2      GLY   9  -2.550   4.073   5.561
   64    HA3  GLY   9           HA1      GLY   9  -3.170   2.475   5.963
   65    H    VAL  10           HN       VAL  10  -0.585   1.650   7.156
   66    HA   VAL  10           HA       VAL  10   0.228   1.501   9.306
   67    HB   VAL  10           HB       VAL  10   0.057   4.504   9.430
   68   HG11  VAL  10          HG11      VAL  10   2.384   2.669  10.036
   69   HG12  VAL  10          HG12      VAL  10   1.126   2.994  11.227
   70   HG13  VAL  10          HG13      VAL  10   2.115   4.316  10.609
   71   HG21  VAL  10          HG21      VAL  10   0.703   4.155   7.153
   72   HG22  VAL  10          HG22      VAL  10   1.775   2.827   7.595
   73   HG23  VAL  10          HG23      VAL  10   2.191   4.480   8.044
   74    H    ALA  11           HN       ALA  11  -2.752   1.784   8.819
   75    HA   ALA  11           HA       ALA  11  -3.816   3.133  11.125
   76    HB1  ALA  11           HB1      ALA  11  -5.226   3.002   9.209
   77    HB2  ALA  11           HB2      ALA  11  -5.937   1.931  10.417
   78    HB3  ALA  11           HB3      ALA  11  -5.003   1.257   9.082
   79    H    SER  12           HN       SER  12  -2.032   0.409  10.893
   80    HA   SER  12           HA       SER  12  -3.542  -1.398  12.537
   81    HB2  SER  12           HB2      SER  12  -0.641  -1.378  11.705
   82    HB3  SER  12           HB1      SER  12  -1.407  -2.685  12.603
   83    HG   SER  12           HG       SER  12  -1.642  -3.260  10.516
   84    H    LEU  13           HN       LEU  13  -1.820   1.410  13.281
   85    HA   LEU  13           HA       LEU  13  -1.259   0.461  16.036
   86    HB2  LEU  13           HB2      LEU  13   0.300   2.045  14.175
   87    HB3  LEU  13           HB1      LEU  13  -0.009   2.997  15.621
   88    HG   LEU  13           HG       LEU  13   0.789   0.942  16.953
   89   HD11  LEU  13          HD11      LEU  13   0.635  -0.727  15.183
   90   HD12  LEU  13          HD12      LEU  13   2.327  -0.547  15.649
   91   HD13  LEU  13          HD13      LEU  13   1.736   0.202  14.167
   92   HD21  LEU  13          HD21      LEU  13   2.632   2.495  15.115
   93   HD22  LEU  13          HD22      LEU  13   3.210   1.496  16.450
   94   HD23  LEU  13          HD23      LEU  13   2.188   2.896  16.774
   95    HA   PRO  14           HA       PRO  14  -3.352   4.907  16.499
   96    HB2  PRO  14           HB2      PRO  14  -5.052   4.696  14.032
   97    HB3  PRO  14           HB1      PRO  14  -4.347   6.136  14.795
   98    HG2  PRO  14           HG2      PRO  14  -3.287   5.109  12.588
   99    HG3  PRO  14           HG1      PRO  14  -2.258   5.761  13.877
  100    HD2  PRO  14           HD2      PRO  14  -2.790   2.905  13.166
  101    HD3  PRO  14           HD1      PRO  14  -1.317   3.652  13.803
  102    H    LEU  15           HN       LEU  15  -5.178   2.331  14.794
  103    HA   LEU  15           HA       LEU  15  -7.554   2.615  16.300
  104    HB2  LEU  15           HB2      LEU  15  -6.395   0.256  14.803
  105    HB3  LEU  15           HB1      LEU  15  -7.992   0.236  15.544
  106    HG   LEU  15           HG       LEU  15  -7.129   2.337  13.535
  107   HD11  LEU  15          HD11      LEU  15  -8.472  -0.344  13.128
  108   HD12  LEU  15          HD12      LEU  15  -6.998   0.254  12.366
  109   HD13  LEU  15          HD13      LEU  15  -8.559   0.955  11.937
  110   HD21  LEU  15          HD21      LEU  15  -9.045   3.156  14.643
  111   HD22  LEU  15          HD22      LEU  15  -9.739   1.549  14.843
  112   HD23  LEU  15          HD23      LEU  15  -9.747   2.321  13.262
  113    H    LEU  16           HN       LEU  16  -4.702   0.569  16.715
  114    HA   LEU  16           HA       LEU  16  -5.630  -0.855  18.978
  115    HB2  LEU  16           HB2      LEU  16  -2.908  -0.271  17.826
  116    HB3  LEU  16           HB1      LEU  16  -3.063  -1.106  19.371
  117    HG   LEU  16           HG       LEU  16  -4.466  -2.830  18.319
  118   HD11  LEU  16          HD11      LEU  16  -5.618  -1.739  16.578
  119   HD12  LEU  16          HD12      LEU  16  -4.461  -2.745  15.709
  120   HD13  LEU  16          HD13      LEU  16  -4.149  -1.023  15.923
  121   HD21  LEU  16          HD21      LEU  16  -2.694  -3.746  16.743
  122   HD22  LEU  16          HD22      LEU  16  -2.098  -3.278  18.336
  123   HD23  LEU  16          HD23      LEU  16  -1.830  -2.221  16.950
  124    H    ASN  17           HN       ASN  17  -3.861   2.177  18.583
  125    HA   ASN  17           HA       ASN  17  -3.250   2.639  21.291
  126    HB2  ASN  17           HB2      ASN  17  -3.723   4.548  18.992
  127    HB3  ASN  17           HB1      ASN  17  -3.147   5.055  20.579
  128   HD21  ASN  17          HD21      ASN  17  -1.496   2.562  20.948
  129   HD22  ASN  17          HD22      ASN  17  -0.165   2.756  19.916
  130    H    VAL  18           HN       VAL  18  -6.099   3.482  19.347
  131    HA   VAL  18           HA       VAL  18  -7.405   5.003  21.357
  132    HB   VAL  18           HB       VAL  18  -8.505   3.474  18.988
  133   HG11  VAL  18          HG11      VAL  18 -10.350   3.754  20.465
  134   HG12  VAL  18          HG12      VAL  18 -10.458   5.115  19.347
  135   HG13  VAL  18          HG13      VAL  18  -9.804   5.353  20.968
  136   HG21  VAL  18          HG21      VAL  18  -8.139   6.457  19.351
  137   HG22  VAL  18          HG22      VAL  18  -8.446   5.577  17.854
  138   HG23  VAL  18          HG23      VAL  18  -6.883   5.435  18.656
  139    H    ILE  19           HN       ILE  19  -7.653   1.593  20.390
  140    HA   ILE  19           HA       ILE  19  -9.612   0.856  22.308
  141    HB   ILE  19           HB       ILE  19  -7.503  -0.775  20.870
  142   HG12  ILE  19          HG12      ILE  19 -10.490  -0.619  20.404
  143   HG13  ILE  19          HG11      ILE  19  -9.343   0.422  19.562
  144   HG21  ILE  19          HG21      ILE  19  -8.119  -2.037  22.809
  145   HG22  ILE  19          HG22      ILE  19  -9.092  -2.684  21.486
  146   HG23  ILE  19          HG23      ILE  19  -9.814  -1.575  22.653
  147   HD11  ILE  19          HD11      ILE  19  -9.974  -1.699  18.318
  148   HD12  ILE  19          HD12      ILE  19  -9.123  -2.597  19.575
  149   HD13  ILE  19          HD13      ILE  19  -8.244  -1.459  18.555
  150    H    ALA  20           HN       ALA  20  -6.077   0.764  22.295
  151    HA   ALA  20           HA       ALA  20  -5.870  -0.349  24.940
  152    HB1  ALA  20           HB1      ALA  20  -3.467   0.124  24.691
  153    HB2  ALA  20           HB2      ALA  20  -3.799   1.047  23.225
  154    HB3  ALA  20           HB3      ALA  20  -4.104  -0.690  23.262
  155    HN1  NH2  21           H2       NH2  21  -5.880   3.721  25.106
  156    HN2  NH2  21           H1       NH2  21  -6.039   2.919  23.618
  Start of MODEL   21
    1    H1   ACE   0           HA2      ACE   0   1.935  -7.144   0.715
    2    H2   ACE   0           HA3      ACE   0   3.506  -7.834   0.309
    3    H3   ACE   0           HA1      ACE   0   3.412  -6.364   1.280
    4    H    LEU   1           HN       LEU   1   4.150  -6.890   3.259
    5    HA   LEU   1           HA       LEU   1   3.984  -9.448   4.443
    6    HB2  LEU   1           HB2      LEU   1   4.436  -6.710   5.635
    7    HB3  LEU   1           HB1      LEU   1   4.561  -8.201   6.565
    8    HG   LEU   1           HG       LEU   1   6.136  -7.671   4.027
    9   HD11  LEU   1          HD11      LEU   1   7.174  -7.482   6.865
   10   HD12  LEU   1          HD12      LEU   1   6.651  -6.073   5.940
   11   HD13  LEU   1          HD13      LEU   1   8.011  -7.045   5.377
   12   HD21  LEU   1          HD21      LEU   1   6.057  -9.884   6.070
   13   HD22  LEU   1          HD22      LEU   1   7.596  -9.504   5.303
   14   HD23  LEU   1          HD23      LEU   1   6.220  -9.983   4.317
   15    H    GLY   2           HN       GLY   2   1.981  -6.544   4.777
   16    HA2  GLY   2           HA2      GLY   2  -0.425  -7.856   5.211
   17    HA3  GLY   2           HA1      GLY   2   0.279  -7.594   6.804
   18    H    LEU   3           HN       LEU   3  -0.457  -5.847   3.784
   19    HA   LEU   3           HA       LEU   3  -1.128  -3.675   3.407
   20    HB2  LEU   3           HB2      LEU   3  -2.365  -3.994   6.155
   21    HB3  LEU   3           HB1      LEU   3  -2.835  -2.820   4.927
   22    HG   LEU   3           HG       LEU   3  -2.977  -5.831   4.601
   23   HD11  LEU   3          HD11      LEU   3  -5.181  -3.787   5.014
   24   HD12  LEU   3          HD12      LEU   3  -4.627  -4.947   6.222
   25   HD13  LEU   3          HD13      LEU   3  -5.411  -5.515   4.748
   26   HD21  LEU   3          HD21      LEU   3  -2.746  -5.007   2.419
   27   HD22  LEU   3          HD22      LEU   3  -3.571  -3.492   2.789
   28   HD23  LEU   3          HD23      LEU   3  -4.496  -4.983   2.618
   29    H    LEU   4           HN       LEU   4   1.236  -4.421   5.396
   30    HA   LEU   4           HA       LEU   4   1.614  -2.199   7.083
   31    HB2  LEU   4           HB2      LEU   4   2.863  -4.317   7.312
   32    HB3  LEU   4           HB1      LEU   4   3.700  -3.983   5.798
   33    HG   LEU   4           HG       LEU   4   4.621  -1.891   6.801
   34   HD11  LEU   4          HD11      LEU   4   4.453  -1.930   9.434
   35   HD12  LEU   4          HD12      LEU   4   2.973  -2.839   9.138
   36   HD13  LEU   4          HD13      LEU   4   3.153  -1.209   8.490
   37   HD21  LEU   4          HD21      LEU   4   5.157  -4.363   8.477
   38   HD22  LEU   4          HD22      LEU   4   6.255  -3.006   8.218
   39   HD23  LEU   4          HD23      LEU   4   5.842  -4.076   6.876
   40    H    SER   5           HN       SER   5   2.532  -2.798   3.716
   41    HA   SER   5           HA       SER   5   4.242  -0.641   3.302
   42    HB2  SER   5           HB2      SER   5   2.228  -1.838   1.387
   43    HB3  SER   5           HB1      SER   5   3.555  -0.778   0.926
   44    HG   SER   5           HG       SER   5   4.793  -2.462   0.979
   45    H    TYR   6           HN       TYR   6   0.686  -0.748   3.064
   46    HA   TYR   6           HA       TYR   6   0.370   1.965   2.286
   47    HB2  TYR   6           HB2      TYR   6  -1.493  -0.003   3.627
   48    HB3  TYR   6           HB1      TYR   6  -1.985   1.632   3.183
   49    HD1  TYR   6           HD1      TYR   6  -1.979   2.349   0.809
   50    HD2  TYR   6           HD2      TYR   6  -1.157  -1.709   1.950
   51    HE1  TYR   6           HE1      TYR   6  -2.356   1.616  -1.531
   52    HE2  TYR   6           HE2      TYR   6  -1.538  -2.444  -0.388
   53    HH   TYR   6           HH       TYR   6  -1.479  -0.504  -2.956
   54    H    GLY   7           HN       GLY   7   0.396   0.326   5.419
   55    HA2  GLY   7           HA2      GLY   7  -0.145   2.684   6.961
   56    HA3  GLY   7           HA1      GLY   7   0.421   1.134   7.577
   57    H    ALA   8           HN       ALA   8   2.426   1.972   5.107
   58    HA   ALA   8           HA       ALA   8   4.635   2.487   6.834
   59    HB1  ALA   8           HB1      ALA   8   4.712   1.338   4.574
   60    HB2  ALA   8           HB2      ALA   8   5.956   2.557   4.852
   61    HB3  ALA   8           HB3      ALA   8   4.556   2.939   3.850
   62    H    GLY   9           HN       GLY   9   2.186   4.510   5.738
   63    HA2  GLY   9           HA2      GLY   9   3.793   6.893   6.415
   64    HA3  GLY   9           HA1      GLY   9   2.929   6.868   4.882
   65    H    VAL  10           HN       VAL  10   0.624   5.421   5.858
   66    HA   VAL  10           HA       VAL  10  -0.957   7.585   6.742
   67    HB   VAL  10           HB       VAL  10  -1.486   4.609   6.898
   68   HG11  VAL  10          HG11      VAL  10  -3.064   5.585   8.354
   69   HG12  VAL  10          HG12      VAL  10  -3.921   5.519   6.815
   70   HG13  VAL  10          HG13      VAL  10  -3.216   7.037   7.367
   71   HG21  VAL  10          HG21      VAL  10  -2.477   6.628   4.869
   72   HG22  VAL  10          HG22      VAL  10  -2.572   4.870   4.780
   73   HG23  VAL  10          HG23      VAL  10  -1.012   5.675   4.625
   74    H    ALA  11           HN       ALA  11   0.327   4.761   8.479
   75    HA   ALA  11           HA       ALA  11   0.289   4.274  10.765
   76    HB1  ALA  11           HB1      ALA  11   1.651   6.974  10.714
   77    HB2  ALA  11           HB2      ALA  11   2.420   5.443  10.296
   78    HB3  ALA  11           HB3      ALA  11   1.849   5.723  11.941
   79    H    SER  12           HN       SER  12  -2.098   5.793   9.850
   80    HA   SER  12           HA       SER  12  -2.831   7.066  12.437
   81    HB2  SER  12           HB2      SER  12  -2.602   8.631  10.438
   82    HB3  SER  12           HB1      SER  12  -3.988   7.796   9.744
   83    HG   SER  12           HG       SER  12  -4.209   8.606  12.390
   84    H    LEU  13           HN       LEU  13  -3.110   4.296  11.818
   85    HA   LEU  13           HA       LEU  13  -5.760   3.877  12.584
   86    HB2  LEU  13           HB2      LEU  13  -5.444   4.288   9.753
   87    HB3  LEU  13           HB1      LEU  13  -5.867   2.597   9.997
   88    HG   LEU  13           HG       LEU  13  -7.416   4.855  11.299
   89   HD11  LEU  13          HD11      LEU  13  -9.071   4.479   9.453
   90   HD12  LEU  13          HD12      LEU  13  -7.874   3.467   8.643
   91   HD13  LEU  13          HD13      LEU  13  -7.553   5.183   8.893
   92   HD21  LEU  13          HD21      LEU  13  -8.207   2.007  10.616
   93   HD22  LEU  13          HD22      LEU  13  -9.104   3.152  11.614
   94   HD23  LEU  13          HD23      LEU  13  -7.576   2.484  12.189
   95    HA   PRO  14           HA       PRO  14  -3.587  -0.349  11.359
   96    HB2  PRO  14           HB2      PRO  14  -0.786   0.691  11.150
   97    HB3  PRO  14           HB1      PRO  14  -1.590  -0.582  10.210
   98    HG2  PRO  14           HG2      PRO  14  -1.129   1.819   9.161
   99    HG3  PRO  14           HG1      PRO  14  -2.621   0.931   8.798
  100    HD2  PRO  14           HD2      PRO  14  -2.217   3.268  10.637
  101    HD3  PRO  14           HD1      PRO  14  -3.592   2.886   9.585
  102    H    LEU  15           HN       LEU  15  -1.479   2.031  13.002
  103    HA   LEU  15           HA       LEU  15  -0.636   0.282  15.060
  104    HB2  LEU  15           HB2      LEU  15  -0.747   3.297  14.898
  105    HB3  LEU  15           HB1      LEU  15  -0.026   2.430  16.249
  106    HG   LEU  15           HG       LEU  15   0.807   1.988  13.368
  107   HD11  LEU  15          HD11      LEU  15   2.790   3.407  13.965
  108   HD12  LEU  15          HD12      LEU  15   1.968   3.850  15.461
  109   HD13  LEU  15          HD13      LEU  15   1.274   4.305  13.904
  110   HD21  LEU  15          HD21      LEU  15   1.819   1.079  16.065
  111   HD22  LEU  15          HD22      LEU  15   2.957   1.263  14.734
  112   HD23  LEU  15          HD23      LEU  15   1.606   0.148  14.584
  113    H    LEU  16           HN       LEU  16  -3.253   2.655  14.871
  114    HA   LEU  16           HA       LEU  16  -4.134   2.374  17.544
  115    HB2  LEU  16           HB2      LEU  16  -5.413   3.386  15.013
  116    HB3  LEU  16           HB1      LEU  16  -6.367   3.230  16.485
  117    HG   LEU  16           HG       LEU  16  -5.323   5.514  16.102
  118   HD11  LEU  16          HD11      LEU  16  -4.177   4.380  18.644
  119   HD12  LEU  16          HD12      LEU  16  -5.925   4.393  18.418
  120   HD13  LEU  16          HD13      LEU  16  -5.019   5.902  18.374
  121   HD21  LEU  16          HD21      LEU  16  -3.152   4.455  15.242
  122   HD22  LEU  16          HD22      LEU  16  -2.747   4.170  16.934
  123   HD23  LEU  16          HD23      LEU  16  -2.976   5.817  16.348
  124    H    ASN  17           HN       ASN  17  -4.966   0.706  14.550
  125    HA   ASN  17           HA       ASN  17  -7.140  -0.795  15.526
  126    HB2  ASN  17           HB2      ASN  17  -5.163  -1.297  13.296
  127    HB3  ASN  17           HB1      ASN  17  -6.539  -2.353  13.617
  128   HD21  ASN  17          HD21      ASN  17  -6.200  -0.756  11.182
  129   HD22  ASN  17          HD22      ASN  17  -7.485   0.351  11.138
  130    H    VAL  18           HN       VAL  18  -3.656  -1.461  15.462
  131    HA   VAL  18           HA       VAL  18  -3.805  -4.116  16.447
  132    HB   VAL  18           HB       VAL  18  -1.604  -2.041  16.555
  133   HG11  VAL  18          HG11      VAL  18  -1.643  -4.946  17.404
  134   HG12  VAL  18          HG12      VAL  18  -1.124  -3.550  18.349
  135   HG13  VAL  18          HG13      VAL  18  -0.151  -4.104  16.987
  136   HG21  VAL  18          HG21      VAL  18  -2.398  -2.979  14.327
  137   HG22  VAL  18          HG22      VAL  18  -1.847  -4.557  14.886
  138   HG23  VAL  18          HG23      VAL  18  -0.691  -3.240  14.685
  139    H    ILE  19           HN       ILE  19  -3.327  -0.983  18.045
  140    HA   ILE  19           HA       ILE  19  -3.103  -1.996  20.681
  141    HB   ILE  19           HB       ILE  19  -3.939   0.716  19.625
  142   HG12  ILE  19          HG12      ILE  19  -1.371  -0.204  20.946
  143   HG13  ILE  19          HG11      ILE  19  -1.601  -0.154  19.199
  144   HG21  ILE  19          HG21      ILE  19  -3.314   1.417  22.024
  145   HG22  ILE  19          HG22      ILE  19  -3.488  -0.287  22.443
  146   HG23  ILE  19          HG23      ILE  19  -4.868   0.611  21.812
  147   HD11  ILE  19          HD11      ILE  19  -2.192   2.286  19.422
  148   HD12  ILE  19          HD12      ILE  19  -0.523   1.908  19.854
  149   HD13  ILE  19          HD13      ILE  19  -1.723   2.187  21.119
  150    H    ALA  20           HN       ALA  20  -5.844  -0.797  18.784
  151    HA   ALA  20           HA       ALA  20  -7.738  -1.201  20.923
  152    HB1  ALA  20           HB1      ALA  20  -8.092  -0.632  17.972
  153    HB2  ALA  20           HB2      ALA  20  -8.210   0.520  19.302
  154    HB3  ALA  20           HB3      ALA  20  -9.426  -0.744  19.121
  155    HN1  NH2  21           H2       NH2  21  -7.312  -4.647  18.967
  156    HN2  NH2  21           H1       NH2  21  -6.155  -3.404  18.936
  Start of MODEL   22
    1    H1   ACE   0           HA2      ACE   0   6.556  -1.531  -4.136
    2    H2   ACE   0           HA3      ACE   0   8.247  -1.950  -4.408
    3    H3   ACE   0           HA1      ACE   0   7.615  -1.861  -2.765
    4    H    LEU   1           HN       LEU   1   7.424  -3.826  -1.906
    5    HA   LEU   1           HA       LEU   1   7.373  -6.241  -3.370
    6    HB2  LEU   1           HB2      LEU   1   6.631  -5.602  -0.510
    7    HB3  LEU   1           HB1      LEU   1   6.692  -7.242  -1.146
    8    HG   LEU   1           HG       LEU   1   9.041  -5.334  -1.327
    9   HD11  LEU   1          HD11      LEU   1   8.251  -7.262   0.866
   10   HD12  LEU   1          HD12      LEU   1   8.657  -5.551   1.016
   11   HD13  LEU   1          HD13      LEU   1   9.917  -6.728   0.640
   12   HD21  LEU   1          HD21      LEU   1   8.627  -8.299  -1.760
   13   HD22  LEU   1          HD22      LEU   1  10.221  -7.670  -1.353
   14   HD23  LEU   1          HD23      LEU   1   9.413  -7.130  -2.820
   15    H    GLY   2           HN       GLY   2   4.813  -4.326  -1.848
   16    HA2  GLY   2           HA2      GLY   2   2.810  -4.922  -3.669
   17    HA3  GLY   2           HA1      GLY   2   2.698  -6.152  -2.412
   18    H    LEU   3           HN       LEU   3   3.068  -2.613  -2.706
   19    HA   LEU   3           HA       LEU   3   2.297  -0.904  -1.347
   20    HB2  LEU   3           HB2      LEU   3  -0.190  -2.629  -1.435
   21    HB3  LEU   3           HB1      LEU   3  -0.128  -0.901  -1.091
   22    HG   LEU   3           HG       LEU   3   0.776  -2.190  -3.685
   23   HD11  LEU   3          HD11      LEU   3  -1.615  -2.335  -3.570
   24   HD12  LEU   3          HD12      LEU   3  -1.258  -0.929  -4.573
   25   HD13  LEU   3          HD13      LEU   3  -1.746  -0.711  -2.893
   26   HD21  LEU   3          HD21      LEU   3   2.022  -0.208  -3.536
   27   HD22  LEU   3          HD22      LEU   3   0.770   0.636  -2.624
   28   HD23  LEU   3          HD23      LEU   3   0.569   0.360  -4.354
   29    H    LEU   4           HN       LEU   4   3.350  -3.476  -0.033
   30    HA   LEU   4           HA       LEU   4   1.973  -3.880   2.404
   31    HB2  LEU   4           HB2      LEU   4   3.943  -5.201   1.237
   32    HB3  LEU   4           HB1      LEU   4   4.965  -4.136   2.188
   33    HG   LEU   4           HG       LEU   4   4.634  -6.162   3.446
   34   HD11  LEU   4          HD11      LEU   4   4.421  -3.856   4.601
   35   HD12  LEU   4          HD12      LEU   4   3.914  -5.286   5.495
   36   HD13  LEU   4          HD13      LEU   4   2.706  -4.248   4.743
   37   HD21  LEU   4          HD21      LEU   4   2.628  -7.273   3.753
   38   HD22  LEU   4          HD22      LEU   4   2.327  -6.568   2.169
   39   HD23  LEU   4          HD23      LEU   4   1.653  -5.814   3.613
   40    H    SER   5           HN       SER   5   4.643  -1.740   1.487
   41    HA   SER   5           HA       SER   5   4.836  -0.546   4.111
   42    HB2  SER   5           HB2      SER   5   6.755  -0.813   2.472
   43    HB3  SER   5           HB1      SER   5   6.025   0.486   1.534
   44    HG   SER   5           HG       SER   5   6.197   1.055   4.196
   45    H    TYR   6           HN       TYR   6   2.612  -0.246   1.687
   46    HA   TYR   6           HA       TYR   6   2.255   2.520   1.377
   47    HB2  TYR   6           HB2      TYR   6   1.108   0.743   0.034
   48    HB3  TYR   6           HB1      TYR   6   0.082   0.416   1.430
   49    HD1  TYR   6           HD1      TYR   6  -1.582   2.040   2.196
   50    HD2  TYR   6           HD2      TYR   6   0.892   2.811  -1.231
   51    HE1  TYR   6           HE1      TYR   6  -3.075   3.909   1.538
   52    HE2  TYR   6           HE2      TYR   6  -0.596   4.680  -1.888
   53    HH   TYR   6           HH       TYR   6  -2.258   6.055  -1.141
   54    H    GLY   7           HN       GLY   7   0.828   0.263   3.732
   55    HA2  GLY   7           HA2      GLY   7   0.870   1.613   6.024
   56    HA3  GLY   7           HA1      GLY   7  -0.430   2.464   5.194
   57    H    ALA   8           HN       ALA   8   0.386  -0.991   5.091
   58    HA   ALA   8           HA       ALA   8  -2.296  -1.840   5.333
   59    HB1  ALA   8           HB1      ALA   8  -1.364  -4.076   5.614
   60    HB2  ALA   8           HB2      ALA   8   0.227  -3.394   5.953
   61    HB3  ALA   8           HB3      ALA   8  -0.486  -3.215   4.350
   62    H    GLY   9           HN       GLY   9   0.290  -1.421   7.708
   63    HA2  GLY   9           HA2      GLY   9  -1.342  -0.840   9.869
   64    HA3  GLY   9           HA1      GLY   9  -1.106  -2.585   9.903
   65    H    VAL  10           HN       VAL  10   1.066   0.094   9.024
   66    HA   VAL  10           HA       VAL  10   3.349  -1.057  10.213
   67    HB   VAL  10           HB       VAL  10   2.721   1.803   9.452
   68   HG11  VAL  10          HG11      VAL  10   5.288   0.505  10.395
   69   HG12  VAL  10          HG12      VAL  10   4.491   1.931  11.060
   70   HG13  VAL  10          HG13      VAL  10   5.264   2.009   9.476
   71   HG21  VAL  10          HG21      VAL  10   4.175   1.251   7.515
   72   HG22  VAL  10          HG22      VAL  10   2.752   0.213   7.580
   73   HG23  VAL  10          HG23      VAL  10   4.317  -0.403   8.112
   74    H    ALA  11           HN       ALA  11   1.107   1.449  11.372
   75    HA   ALA  11           HA       ALA  11   1.469   0.718  14.106
   76    HB1  ALA  11           HB1      ALA  11   3.630   1.914  13.627
   77    HB2  ALA  11           HB2      ALA  11   2.673   2.626  14.924
   78    HB3  ALA  11           HB3      ALA  11   2.686   3.372  13.327
   79    H    SER  12           HN       SER  12   0.285   2.930  11.679
   80    HA   SER  12           HA       SER  12  -1.321   4.576  13.314
   81    HB2  SER  12           HB2      SER  12  -2.521   5.106  11.227
   82    HB3  SER  12           HB1      SER  12  -0.774   5.157  11.001
   83    HG   SER  12           HG       SER  12  -1.014   3.657   9.564
   84    H    LEU  13           HN       LEU  13  -1.627   1.285  12.501
   85    HA   LEU  13           HA       LEU  13  -4.531   1.232  12.767
   86    HB2  LEU  13           HB2      LEU  13  -2.406  -0.672  11.938
   87    HB3  LEU  13           HB1      LEU  13  -3.820  -1.394  12.700
   88    HG   LEU  13           HG       LEU  13  -3.981  -1.244  10.208
   89   HD11  LEU  13          HD11      LEU  13  -6.245  -0.836  10.236
   90   HD12  LEU  13          HD12      LEU  13  -6.095   0.640  11.185
   91   HD13  LEU  13          HD13      LEU  13  -5.982  -0.933  11.975
   92   HD21  LEU  13          HD21      LEU  13  -3.987   0.799   9.055
   93   HD22  LEU  13          HD22      LEU  13  -2.729   1.059  10.261
   94   HD23  LEU  13          HD23      LEU  13  -4.340   1.735  10.505
   95    HA   PRO  14           HA       PRO  14  -3.478  -1.377  16.699
   96    HB2  PRO  14           HB2      PRO  14  -0.860  -1.151  17.613
   97    HB3  PRO  14           HB1      PRO  14  -1.469  -2.487  16.616
   98    HG2  PRO  14           HG2      PRO  14   0.009  -0.028  15.778
   99    HG3  PRO  14           HG1      PRO  14   0.233  -1.710  15.254
  100    HD2  PRO  14           HD2      PRO  14  -1.085   0.020  13.702
  101    HD3  PRO  14           HD1      PRO  14  -1.648  -1.663  13.857
  102    H    LEU  15           HN       LEU  15  -1.552   1.614  16.340
  103    HA   LEU  15           HA       LEU  15  -1.774   2.460  19.018
  104    HB2  LEU  15           HB2      LEU  15  -1.428   4.044  16.464
  105    HB3  LEU  15           HB1      LEU  15  -1.303   4.746  18.077
  106    HG   LEU  15           HG       LEU  15   0.368   2.413  17.094
  107   HD11  LEU  15          HD11      LEU  15   2.214   4.164  17.093
  108   HD12  LEU  15          HD12      LEU  15   0.944   5.382  17.212
  109   HD13  LEU  15          HD13      LEU  15   1.020   4.320  15.805
  110   HD21  LEU  15          HD21      LEU  15   0.493   2.231  19.404
  111   HD22  LEU  15          HD22      LEU  15   0.185   3.946  19.676
  112   HD23  LEU  15          HD23      LEU  15   1.778   3.407  19.150
  113    H    LEU  16           HN       LEU  16  -3.802   3.126  16.193
  114    HA   LEU  16           HA       LEU  16  -5.613   4.840  17.567
  115    HB2  LEU  16           HB2      LEU  16  -5.604   3.405  14.938
  116    HB3  LEU  16           HB1      LEU  16  -7.139   4.035  15.534
  117    HG   LEU  16           HG       LEU  16  -6.222   6.276  15.695
  118   HD11  LEU  16          HD11      LEU  16  -3.624   4.888  15.033
  119   HD12  LEU  16          HD12      LEU  16  -3.973   5.979  16.370
  120   HD13  LEU  16          HD13      LEU  16  -3.842   6.611  14.730
  121   HD21  LEU  16          HD21      LEU  16  -5.628   4.858  13.086
  122   HD22  LEU  16          HD22      LEU  16  -5.581   6.612  13.258
  123   HD23  LEU  16          HD23      LEU  16  -7.090   5.739  13.523
  124    H    ASN  17           HN       ASN  17  -5.533   1.366  16.954
  125    HA   ASN  17           HA       ASN  17  -8.120   0.751  17.879
  126    HB2  ASN  17           HB2      ASN  17  -5.571  -0.878  17.834
  127    HB3  ASN  17           HB1      ASN  17  -7.146  -1.540  18.273
  128   HD21  ASN  17          HD21      ASN  17  -5.373  -2.066  15.834
  129   HD22  ASN  17          HD22      ASN  17  -6.390  -1.777  14.508
  130    H    VAL  18           HN       VAL  18  -5.012   1.025  19.572
  131    HA   VAL  18           HA       VAL  18  -5.935   0.137  22.101
  132    HB   VAL  18           HB       VAL  18  -3.639   1.944  21.312
  133   HG11  VAL  18          HG11      VAL  18  -4.104   2.530  23.574
  134   HG12  VAL  18          HG12      VAL  18  -2.821   1.323  23.671
  135   HG13  VAL  18          HG13      VAL  18  -4.491   0.865  24.006
  136   HG21  VAL  18          HG21      VAL  18  -3.694  -0.525  20.638
  137   HG22  VAL  18          HG22      VAL  18  -3.617  -0.896  22.360
  138   HG23  VAL  18          HG23      VAL  18  -2.295  -0.020  21.586
  139    H    ILE  19           HN       ILE  19  -5.625   3.378  20.671
  140    HA   ILE  19           HA       ILE  19  -6.589   4.814  22.915
  141    HB   ILE  19           HB       ILE  19  -6.600   5.480  19.959
  142   HG12  ILE  19          HG12      ILE  19  -4.843   6.527  22.195
  143   HG13  ILE  19          HG11      ILE  19  -4.395   5.155  21.181
  144   HG21  ILE  19          HG21      ILE  19  -7.309   7.132  22.396
  145   HG22  ILE  19          HG22      ILE  19  -8.292   6.850  20.958
  146   HG23  ILE  19          HG23      ILE  19  -6.847   7.856  20.857
  147   HD11  ILE  19          HD11      ILE  19  -3.494   7.392  20.396
  148   HD12  ILE  19          HD12      ILE  19  -5.158   7.860  20.057
  149   HD13  ILE  19          HD13      ILE  19  -4.430   6.506  19.193
  150    H    ALA  20           HN       ALA  20  -8.160   3.487  20.036
  151    HA   ALA  20           HA       ALA  20 -10.801   4.347  20.885
  152    HB1  ALA  20           HB1      ALA  20 -11.578   3.310  18.853
  153    HB2  ALA  20           HB2      ALA  20 -10.052   2.451  18.649
  154    HB3  ALA  20           HB3      ALA  20 -10.105   4.206  18.479
  155    HN1  NH2  21           H2       NH2  21 -10.000   0.668  22.252
  156    HN2  NH2  21           H1       NH2  21  -8.792   1.732  21.712
  Start of MODEL   23
    1    H1   ACE   0           HA2      ACE   0   3.740  -3.825  -5.614
    2    H2   ACE   0           HA3      ACE   0   4.847  -2.776  -6.500
    3    H3   ACE   0           HA1      ACE   0   4.405  -2.389  -4.836
    4    H    LEU   1           HN       LEU   1   6.442  -2.471  -3.930
    5    HA   LEU   1           HA       LEU   1   8.391  -4.445  -4.451
    6    HB2  LEU   1           HB2      LEU   1   7.952  -2.627  -2.077
    7    HB3  LEU   1           HB1      LEU   1   9.361  -3.671  -2.242
    8    HG   LEU   1           HG       LEU   1   8.540  -1.643  -4.343
    9   HD11  LEU   1          HD11      LEU   1  10.326  -0.206  -3.400
   10   HD12  LEU   1          HD12      LEU   1  10.549  -1.362  -2.088
   11   HD13  LEU   1          HD13      LEU   1   9.028  -0.484  -2.238
   12   HD21  LEU   1          HD21      LEU   1  11.135  -1.922  -4.770
   13   HD22  LEU   1          HD22      LEU   1  10.021  -3.130  -5.394
   14   HD23  LEU   1          HD23      LEU   1  10.922  -3.449  -3.914
   15    H    GLY   2           HN       GLY   2   5.864  -4.208  -1.980
   16    HA2  GLY   2           HA2      GLY   2   5.407  -6.944  -1.756
   17    HA3  GLY   2           HA1      GLY   2   6.601  -6.531  -0.530
   18    H    LEU   3           HN       LEU   3   3.368  -5.742  -1.727
   19    HA   LEU   3           HA       LEU   3   1.570  -4.710  -0.703
   20    HB2  LEU   3           HB2      LEU   3   2.578  -6.389   1.606
   21    HB3  LEU   3           HB1      LEU   3   0.940  -5.764   1.411
   22    HG   LEU   3           HG       LEU   3   2.313  -7.680  -0.499
   23   HD11  LEU   3          HD11      LEU   3   0.008  -8.246   1.378
   24   HD12  LEU   3          HD12      LEU   3   1.688  -8.562   1.809
   25   HD13  LEU   3          HD13      LEU   3   0.955  -9.405   0.446
   26   HD21  LEU   3          HD21      LEU   3  -0.375  -6.310  -0.464
   27   HD22  LEU   3          HD22      LEU   3  -0.220  -7.905  -1.205
   28   HD23  LEU   3          HD23      LEU   3   0.731  -6.555  -1.817
   29    H    LEU   4           HN       LEU   4   4.155  -3.318  -0.513
   30    HA   LEU   4           HA       LEU   4   4.510  -2.174   2.041
   31    HB2  LEU   4           HB2      LEU   4   6.241  -2.036   0.328
   32    HB3  LEU   4           HB1      LEU   4   5.180  -1.080  -0.704
   33    HG   LEU   4           HG       LEU   4   5.168   0.742   0.933
   34   HD11  LEU   4          HD11      LEU   4   6.686  -1.264   2.600
   35   HD12  LEU   4          HD12      LEU   4   5.312  -0.256   3.058
   36   HD13  LEU   4          HD13      LEU   4   6.907   0.465   2.871
   37   HD21  LEU   4          HD21      LEU   4   7.386   1.505   0.580
   38   HD22  LEU   4          HD22      LEU   4   7.087   0.397  -0.758
   39   HD23  LEU   4          HD23      LEU   4   8.045  -0.130   0.626
   40    H    SER   5           HN       SER   5   2.521  -1.233  -0.730
   41    HA   SER   5           HA       SER   5   1.711   1.294   0.169
   42    HB2  SER   5           HB2      SER   5   1.282   0.486  -2.106
   43    HB3  SER   5           HB1      SER   5   0.153  -0.712  -1.476
   44    HG   SER   5           HG       SER   5  -0.046   2.109  -1.472
   45    H    TYR   6           HN       TYR   6   0.261  -1.908   0.736
   46    HA   TYR   6           HA       TYR   6  -1.975  -0.994   2.205
   47    HB2  TYR   6           HB2      TYR   6  -0.507  -3.634   2.193
   48    HB3  TYR   6           HB1      TYR   6  -1.983  -3.357   3.118
   49    HD1  TYR   6           HD1      TYR   6  -4.105  -2.759   1.945
   50    HD2  TYR   6           HD2      TYR   6  -0.558  -3.889  -0.194
   51    HE1  TYR   6           HE1      TYR   6  -5.462  -3.154  -0.092
   52    HE2  TYR   6           HE2      TYR   6  -1.913  -4.282  -2.234
   53    HH   TYR   6           HH       TYR   6  -5.434  -4.128  -2.156
   54    H    GLY   7           HN       GLY   7   1.270  -2.006   3.223
   55    HA2  GLY   7           HA2      GLY   7   0.664  -1.415   6.030
   56    HA3  GLY   7           HA1      GLY   7   2.153  -2.117   5.403
   57    H    ALA   8           HN       ALA   8   0.915   0.659   3.778
   58    HA   ALA   8           HA       ALA   8   3.268   2.181   4.302
   59    HB1  ALA   8           HB1      ALA   8   0.644   3.217   3.219
   60    HB2  ALA   8           HB2      ALA   8   1.826   2.353   2.238
   61    HB3  ALA   8           HB3      ALA   8   2.252   3.896   2.972
   62    H    GLY   9           HN       GLY   9   0.534   1.594   6.149
   63    HA2  GLY   9           HA2      GLY   9   1.233   3.733   8.014
   64    HA3  GLY   9           HA1      GLY   9  -0.410   3.758   7.375
   65    H    VAL  10           HN       VAL  10   1.848   1.291   8.615
   66    HA   VAL  10           HA       VAL  10  -0.162  -0.403   9.649
   67    HB   VAL  10           HB       VAL  10   2.767  -0.118  10.336
   68   HG11  VAL  10          HG11      VAL  10   1.745  -1.181  12.230
   69   HG12  VAL  10          HG12      VAL  10   2.439  -2.474  11.253
   70   HG13  VAL  10          HG13      VAL  10   0.705  -2.161  11.195
   71   HG21  VAL  10          HG21      VAL  10   3.068  -1.991   8.859
   72   HG22  VAL  10          HG22      VAL  10   2.064  -0.823   7.997
   73   HG23  VAL  10          HG23      VAL  10   1.328  -2.247   8.735
   74    H    ALA  11           HN       ALA  11   1.364   2.462  10.866
   75    HA   ALA  11           HA       ALA  11   0.834   2.125  13.631
   76    HB1  ALA  11           HB1      ALA  11   2.388   3.832  12.693
   77    HB2  ALA  11           HB2      ALA  11   1.202   4.522  13.801
   78    HB3  ALA  11           HB3      ALA  11   0.993   4.706  12.059
   79    H    SER  12           HN       SER  12  -1.294   2.089  11.192
   80    HA   SER  12           HA       SER  12  -3.363   3.783  12.359
   81    HB2  SER  12           HB2      SER  12  -3.350   2.021   9.900
   82    HB3  SER  12           HB1      SER  12  -4.686   3.061  10.390
   83    HG   SER  12           HG       SER  12  -3.382   4.836  10.100
   84    H    LEU  13           HN       LEU  13  -2.344   1.321  13.748
   85    HA   LEU  13           HA       LEU  13  -4.982   0.168  14.283
   86    HB2  LEU  13           HB2      LEU  13  -3.181  -1.200  12.633
   87    HB3  LEU  13           HB1      LEU  13  -2.958  -1.967  14.199
   88    HG   LEU  13           HG       LEU  13  -5.558  -2.085  14.282
   89   HD11  LEU  13          HD11      LEU  13  -5.063  -1.625  11.323
   90   HD12  LEU  13          HD12      LEU  13  -6.066  -0.646  12.392
   91   HD13  LEU  13          HD13      LEU  13  -6.557  -2.285  11.983
   92   HD21  LEU  13          HD21      LEU  13  -4.007  -3.754  12.275
   93   HD22  LEU  13          HD22      LEU  13  -5.527  -4.215  13.040
   94   HD23  LEU  13          HD23      LEU  13  -4.067  -4.041  14.015
   95    HA   PRO  14           HA       PRO  14  -1.927  -1.008  17.883
   96    HB2  PRO  14           HB2      PRO  14   0.213   1.035  17.447
   97    HB3  PRO  14           HB1      PRO  14   0.358  -0.659  17.957
   98    HG2  PRO  14           HG2      PRO  14   1.042   0.069  15.503
   99    HG3  PRO  14           HG1      PRO  14   0.184  -1.460  15.785
  100    HD2  PRO  14           HD2      PRO  14  -0.917   1.158  14.794
  101    HD3  PRO  14           HD1      PRO  14  -1.245  -0.486  14.203
  102    H    LEU  15           HN       LEU  15  -1.608   2.439  16.960
  103    HA   LEU  15           HA       LEU  15  -2.071   3.458  19.559
  104    HB2  LEU  15           HB2      LEU  15  -2.400   4.717  16.831
  105    HB3  LEU  15           HB1      LEU  15  -2.544   5.608  18.343
  106    HG   LEU  15           HG       LEU  15  -0.098   3.997  17.562
  107   HD11  LEU  15          HD11      LEU  15   0.936   6.197  17.057
  108   HD12  LEU  15          HD12      LEU  15  -0.620   6.978  17.337
  109   HD13  LEU  15          HD13      LEU  15  -0.428   5.854  15.992
  110   HD21  LEU  15          HD21      LEU  15   0.067   4.249  19.876
  111   HD22  LEU  15          HD22      LEU  15  -0.831   5.766  19.890
  112   HD23  LEU  15          HD23      LEU  15   0.845   5.738  19.347
  113    H    LEU  16           HN       LEU  16  -4.220   2.878  16.810
  114    HA   LEU  16           HA       LEU  16  -6.549   4.008  17.943
  115    HB2  LEU  16           HB2      LEU  16  -6.434   1.722  15.968
  116    HB3  LEU  16           HB1      LEU  16  -7.749   2.872  16.197
  117    HG   LEU  16           HG       LEU  16  -4.960   3.509  15.186
  118   HD11  LEU  16          HD11      LEU  16  -7.582   3.908  13.741
  119   HD12  LEU  16          HD12      LEU  16  -6.718   2.373  13.659
  120   HD13  LEU  16          HD13      LEU  16  -5.953   3.848  13.068
  121   HD21  LEU  16          HD21      LEU  16  -7.291   5.252  15.993
  122   HD22  LEU  16          HD22      LEU  16  -6.151   5.799  14.763
  123   HD23  LEU  16          HD23      LEU  16  -5.581   5.438  16.390
  124    H    ASN  17           HN       ASN  17  -5.178   0.752  18.067
  125    HA   ASN  17           HA       ASN  17  -7.361  -0.537  19.289
  126    HB2  ASN  17           HB2      ASN  17  -5.484  -1.769  18.309
  127    HB3  ASN  17           HB1      ASN  17  -4.401  -1.119  19.539
  128   HD21  ASN  17          HD21      ASN  17  -4.474  -3.828  19.523
  129   HD22  ASN  17          HD22      ASN  17  -5.426  -4.438  20.790
  130    H    VAL  18           HN       VAL  18  -4.570   1.169  20.686
  131    HA   VAL  18           HA       VAL  18  -5.165   0.594  23.395
  132    HB   VAL  18           HB       VAL  18  -3.671   2.910  22.139
  133   HG11  VAL  18          HG11      VAL  18  -4.006   2.043  25.018
  134   HG12  VAL  18          HG12      VAL  18  -4.328   3.631  24.323
  135   HG13  VAL  18          HG13      VAL  18  -2.667   3.060  24.482
  136   HG21  VAL  18          HG21      VAL  18  -1.688   1.613  22.844
  137   HG22  VAL  18          HG22      VAL  18  -2.692   0.682  21.734
  138   HG23  VAL  18          HG23      VAL  18  -2.742   0.341  23.463
  139    H    ILE  19           HN       ILE  19  -5.936   3.381  21.328
  140    HA   ILE  19           HA       ILE  19  -7.399   4.833  23.276
  141    HB   ILE  19           HB       ILE  19  -7.517   4.854  20.250
  142   HG12  ILE  19          HG12      ILE  19  -5.343   5.527  21.167
  143   HG13  ILE  19          HG11      ILE  19  -6.172   6.918  20.483
  144   HG21  ILE  19          HG21      ILE  19  -9.590   5.775  20.991
  145   HG22  ILE  19          HG22      ILE  19  -8.549   7.149  20.622
  146   HG23  ILE  19          HG23      ILE  19  -8.808   6.664  22.297
  147   HD11  ILE  19          HD11      ILE  19  -5.575   6.279  23.346
  148   HD12  ILE  19          HD12      ILE  19  -7.039   7.196  22.999
  149   HD13  ILE  19          HD13      ILE  19  -5.471   7.818  22.498
  150    H    ALA  20           HN       ALA  20  -8.359   2.522  20.773
  151    HA   ALA  20           HA       ALA  20 -11.160   2.696  21.298
  152    HB1  ALA  20           HB1      ALA  20 -11.389   0.878  19.790
  153    HB2  ALA  20           HB2      ALA  20  -9.738   0.330  20.081
  154    HB3  ALA  20           HB3      ALA  20 -10.026   1.819  19.182
  155    HN1  NH2  21           H2       NH2  21  -9.720  -0.516  23.430
  156    HN2  NH2  21           H1       NH2  21  -8.852   0.025  22.077
  Start of MODEL   24
    1    H1   ACE   0           HA2      ACE   0  -0.001  -3.461  -2.706
    2    H2   ACE   0           HA3      ACE   0  -0.714  -4.536  -3.908
    3    H3   ACE   0           HA1      ACE   0   0.041  -3.024  -4.413
    4    H    LEU   1           HN       LEU   1   1.976  -3.291  -5.307
    5    HA   LEU   1           HA       LEU   1   3.529  -5.717  -4.802
    6    HB2  LEU   1           HB2      LEU   1   3.914  -3.423  -6.737
    7    HB3  LEU   1           HB1      LEU   1   4.968  -4.832  -6.641
    8    HG   LEU   1           HG       LEU   1   1.979  -5.006  -7.121
    9   HD11  LEU   1          HD11      LEU   1   4.301  -4.873  -9.059
   10   HD12  LEU   1          HD12      LEU   1   2.869  -3.845  -9.013
   11   HD13  LEU   1          HD13      LEU   1   2.727  -5.533  -9.506
   12   HD21  LEU   1          HD21      LEU   1   2.861  -7.279  -8.129
   13   HD22  LEU   1          HD22      LEU   1   2.661  -7.132  -6.388
   14   HD23  LEU   1          HD23      LEU   1   4.264  -6.982  -7.106
   15    H    GLY   2           HN       GLY   2   3.219  -2.815  -3.335
   16    HA2  GLY   2           HA2      GLY   2   5.686  -3.052  -1.895
   17    HA3  GLY   2           HA1      GLY   2   5.699  -1.677  -2.996
   18    H    LEU   3           HN       LEU   3   2.826  -1.222  -2.726
   19    HA   LEU   3           HA       LEU   3   2.834   0.662  -0.648
   20    HB2  LEU   3           HB2      LEU   3   0.512  -0.651  -2.075
   21    HB3  LEU   3           HB1      LEU   3   0.398   0.800  -1.079
   22    HG   LEU   3           HG       LEU   3   2.146   0.529  -3.548
   23   HD11  LEU   3          HD11      LEU   3  -0.540   1.868  -3.108
   24   HD12  LEU   3          HD12      LEU   3  -0.193   0.523  -4.194
   25   HD13  LEU   3          HD13      LEU   3   0.466   2.124  -4.533
   26   HD21  LEU   3          HD21      LEU   3   3.182   2.213  -2.306
   27   HD22  LEU   3          HD22      LEU   3   1.682   2.710  -1.522
   28   HD23  LEU   3          HD23      LEU   3   1.996   3.164  -3.195
   29    H    LEU   4           HN       LEU   4   1.683  -2.671  -0.764
   30    HA   LEU   4           HA       LEU   4   0.273  -2.691   1.667
   31    HB2  LEU   4           HB2      LEU   4   0.090  -4.469   0.003
   32    HB3  LEU   4           HB1      LEU   4   1.757  -4.949   0.312
   33    HG   LEU   4           HG       LEU   4   0.067  -4.782   2.763
   34   HD11  LEU   4          HD11      LEU   4  -1.049  -6.961   2.317
   35   HD12  LEU   4          HD12      LEU   4  -0.505  -6.867   0.640
   36   HD13  LEU   4          HD13      LEU   4  -1.627  -5.661   1.274
   37   HD21  LEU   4          HD21      LEU   4   1.636  -7.169   1.787
   38   HD22  LEU   4          HD22      LEU   4   1.348  -6.631   3.441
   39   HD23  LEU   4          HD23      LEU   4   2.469  -5.744   2.411
   40    H    SER   5           HN       SER   5   3.720  -3.288   0.989
   41    HA   SER   5           HA       SER   5   4.457  -4.193   3.541
   42    HB2  SER   5           HB2      SER   5   6.736  -3.448   2.942
   43    HB3  SER   5           HB1      SER   5   5.970  -4.341   1.631
   44    HG   SER   5           HG       SER   5   5.910  -2.573   0.466
   45    H    TYR   6           HN       TYR   6   4.357  -0.872   2.242
   46    HA   TYR   6           HA       TYR   6   5.316   0.370   4.617
   47    HB2  TYR   6           HB2      TYR   6   3.639   1.485   2.357
   48    HB3  TYR   6           HB1      TYR   6   4.386   2.453   3.626
   49    HD1  TYR   6           HD1      TYR   6   6.951   2.215   3.955
   50    HD2  TYR   6           HD2      TYR   6   4.875   0.918   0.434
   51    HE1  TYR   6           HE1      TYR   6   9.080   2.257   2.682
   52    HE2  TYR   6           HE2      TYR   6   6.998   0.956  -0.840
   53    HH   TYR   6           HH       TYR   6   9.946   0.971   0.504
   54    H    GLY   7           HN       GLY   7   2.086  -0.377   3.393
   55    HA2  GLY   7           HA2      GLY   7   0.786   0.823   5.713
   56    HA3  GLY   7           HA1      GLY   7  -0.010   0.057   4.342
   57    H    ALA   8           HN       ALA   8   2.611  -1.609   5.867
   58    HA   ALA   8           HA       ALA   8   1.175  -3.950   6.371
   59    HB1  ALA   8           HB1      ALA   8   3.602  -3.958   6.271
   60    HB2  ALA   8           HB2      ALA   8   3.092  -4.558   7.849
   61    HB3  ALA   8           HB3      ALA   8   3.693  -2.907   7.686
   62    H    GLY   9           HN       GLY   9   1.854  -1.180   8.466
   63    HA2  GLY   9           HA2      GLY   9  -0.360  -1.076   9.979
   64    HA3  GLY   9           HA1      GLY   9   0.517  -2.394  10.750
   65    H    VAL  10           HN       VAL  10   1.497   0.746   9.357
   66    HA   VAL  10           HA       VAL  10   3.337   1.207  11.552
   67    HB   VAL  10           HB       VAL  10   2.559   2.872   9.154
   68   HG11  VAL  10          HG11      VAL  10   4.608   3.312  11.338
   69   HG12  VAL  10          HG12      VAL  10   3.312   4.402  10.840
   70   HG13  VAL  10          HG13      VAL  10   4.689   4.124   9.775
   71   HG21  VAL  10          HG21      VAL  10   5.107   1.350   9.770
   72   HG22  VAL  10          HG22      VAL  10   4.703   2.168   8.261
   73   HG23  VAL  10          HG23      VAL  10   3.811   0.727   8.745
   74    H    ALA  11           HN       ALA  11   0.964   3.426  10.117
   75    HA   ALA  11           HA       ALA  11   0.361   4.489  12.803
   76    HB1  ALA  11           HB1      ALA  11  -0.192   5.559  10.028
   77    HB2  ALA  11           HB2      ALA  11   0.999   6.158  11.183
   78    HB3  ALA  11           HB3      ALA  11  -0.722   6.339  11.520
   79    H    SER  12           HN       SER  12  -0.874   2.376  10.488
   80    HA   SER  12           HA       SER  12  -3.679   2.884  10.934
   81    HB2  SER  12           HB2      SER  12  -2.889   1.965   8.805
   82    HB3  SER  12           HB1      SER  12  -2.277   0.538   9.635
   83    HG   SER  12           HG       SER  12  -4.928   1.379   9.198
   84    H    LEU  13           HN       LEU  13  -1.321   1.472  12.838
   85    HA   LEU  13           HA       LEU  13  -3.283  -0.342  14.132
   86    HB2  LEU  13           HB2      LEU  13  -0.559  -0.776  13.301
   87    HB3  LEU  13           HB1      LEU  13  -0.617  -0.902  15.056
   88    HG   LEU  13           HG       LEU  13  -2.635  -2.465  14.726
   89   HD11  LEU  13          HD11      LEU  13  -3.127  -1.903  12.392
   90   HD12  LEU  13          HD12      LEU  13  -2.685  -3.607  12.514
   91   HD13  LEU  13          HD13      LEU  13  -1.516  -2.436  11.904
   92   HD21  LEU  13          HD21      LEU  13  -1.083  -4.384  14.050
   93   HD22  LEU  13          HD22      LEU  13  -0.553  -3.406  15.419
   94   HD23  LEU  13          HD23      LEU  13   0.170  -3.161  13.831
   95    HA   PRO  14           HA       PRO  14  -0.924   1.880  17.786
   96    HB2  PRO  14           HB2      PRO  14  -0.248   4.440  16.386
   97    HB3  PRO  14           HB1      PRO  14   0.670   3.553  17.621
   98    HG2  PRO  14           HG2      PRO  14   1.407   3.522  15.062
   99    HG3  PRO  14           HG1      PRO  14   1.568   2.081  16.084
  100    HD2  PRO  14           HD2      PRO  14  -0.468   2.662  13.960
  101    HD3  PRO  14           HD1      PRO  14   0.284   1.122  14.405
  102    H    LEU  15           HN       LEU  15  -2.482   4.024  15.377
  103    HA   LEU  15           HA       LEU  15  -3.932   5.553  17.262
  104    HB2  LEU  15           HB2      LEU  15  -4.397   5.006  14.329
  105    HB3  LEU  15           HB1      LEU  15  -5.383   6.129  15.263
  106    HG   LEU  15           HG       LEU  15  -2.363   6.314  15.012
  107   HD11  LEU  15          HD11      LEU  15  -3.193   6.728  12.829
  108   HD12  LEU  15          HD12      LEU  15  -2.995   8.330  13.541
  109   HD13  LEU  15          HD13      LEU  15  -4.598   7.600  13.438
  110   HD21  LEU  15          HD21      LEU  15  -2.870   7.551  16.926
  111   HD22  LEU  15          HD22      LEU  15  -4.489   7.970  16.363
  112   HD23  LEU  15          HD23      LEU  15  -3.079   8.789  15.693
  113    H    LEU  16           HN       LEU  16  -4.823   2.685  15.363
  114    HA   LEU  16           HA       LEU  16  -7.487   2.524  16.324
  115    HB2  LEU  16           HB2      LEU  16  -5.603   0.586  15.004
  116    HB3  LEU  16           HB1      LEU  16  -7.121  -0.006  15.678
  117    HG   LEU  16           HG       LEU  16  -8.352   1.676  14.322
  118   HD11  LEU  16          HD11      LEU  16  -5.543   2.325  13.410
  119   HD12  LEU  16          HD12      LEU  16  -6.783   3.426  14.012
  120   HD13  LEU  16          HD13      LEU  16  -6.948   2.704  12.412
  121   HD21  LEU  16          HD21      LEU  16  -6.472  -0.031  12.663
  122   HD22  LEU  16          HD22      LEU  16  -8.072   0.532  12.188
  123   HD23  LEU  16          HD23      LEU  16  -7.902  -0.644  13.491
  124    H    ASN  17           HN       ASN  17  -4.420   1.266  17.482
  125    HA   ASN  17           HA       ASN  17  -5.367  -0.470  19.476
  126    HB2  ASN  17           HB2      ASN  17  -2.834   1.159  19.246
  127    HB3  ASN  17           HB1      ASN  17  -3.111  -0.002  20.543
  128   HD21  ASN  17          HD21      ASN  17  -4.440  -2.057  19.075
  129   HD22  ASN  17          HD22      ASN  17  -3.346  -2.706  17.950
  130    H    VAL  18           HN       VAL  18  -4.684   3.013  19.539
  131    HA   VAL  18           HA       VAL  18  -5.049   3.394  22.314
  132    HB   VAL  18           HB       VAL  18  -5.359   5.275  19.963
  133   HG11  VAL  18          HG11      VAL  18  -5.540   5.769  22.942
  134   HG12  VAL  18          HG12      VAL  18  -6.676   6.263  21.686
  135   HG13  VAL  18          HG13      VAL  18  -5.100   7.045  21.808
  136   HG21  VAL  18          HG21      VAL  18  -3.155   5.988  20.508
  137   HG22  VAL  18          HG22      VAL  18  -3.091   4.229  20.609
  138   HG23  VAL  18          HG23      VAL  18  -3.201   5.193  22.082
  139    H    ILE  19           HN       ILE  19  -7.298   3.745  19.574
  140    HA   ILE  19           HA       ILE  19  -9.550   4.489  21.131
  141    HB   ILE  19           HB       ILE  19  -9.511   3.069  18.460
  142   HG12  ILE  19          HG12      ILE  19  -8.147   5.090  18.346
  143   HG13  ILE  19          HG11      ILE  19  -9.669   5.368  17.510
  144   HG21  ILE  19          HG21      ILE  19 -11.701   4.199  18.165
  145   HG22  ILE  19          HG22      ILE  19 -11.592   4.805  19.816
  146   HG23  ILE  19          HG23      ILE  19 -11.715   3.071  19.521
  147   HD11  ILE  19          HD11      ILE  19  -8.720   6.476  20.136
  148   HD12  ILE  19          HD12      ILE  19 -10.451   6.300  19.860
  149   HD13  ILE  19          HD13      ILE  19  -9.487   7.308  18.785
  150    H    ALA  20           HN       ALA  20  -8.384   1.373  19.902
  151    HA   ALA  20           HA       ALA  20 -10.577  -0.101  21.058
  152    HB1  ALA  20           HB1      ALA  20  -9.607  -1.087  19.131
  153    HB2  ALA  20           HB2      ALA  20  -9.069  -2.089  20.480
  154    HB3  ALA  20           HB3      ALA  20  -7.971  -0.906  19.766
  155    HN1  NH2  21           H2       NH2  21  -7.458   0.084  23.658
  156    HN2  NH2  21           H1       NH2  21  -7.394   0.894  22.169
  Start of MODEL   25
    1    H1   ACE   0           HA2      ACE   0   2.694  -6.377  -2.114
    2    H2   ACE   0           HA3      ACE   0   4.283  -6.796  -1.472
    3    H3   ACE   0           HA1      ACE   0   3.417  -7.938  -2.501
    4    H    LEU   1           HN       LEU   1   2.953  -4.780  -3.528
    5    HA   LEU   1           HA       LEU   1   4.700  -5.181  -5.840
    6    HB2  LEU   1           HB2      LEU   1   2.612  -3.072  -5.233
    7    HB3  LEU   1           HB1      LEU   1   3.502  -3.212  -6.748
    8    HG   LEU   1           HG       LEU   1   2.569  -5.742  -6.626
    9   HD11  LEU   1          HD11      LEU   1   0.514  -4.097  -5.113
   10   HD12  LEU   1          HD12      LEU   1   1.418  -5.470  -4.481
   11   HD13  LEU   1          HD13      LEU   1   0.234  -5.712  -5.762
   12   HD21  LEU   1          HD21      LEU   1   2.135  -4.275  -8.504
   13   HD22  LEU   1          HD22      LEU   1   1.032  -3.293  -7.542
   14   HD23  LEU   1          HD23      LEU   1   0.589  -4.944  -7.978
   15    H    GLY   2           HN       GLY   2   5.003  -3.822  -2.833
   16    HA2  GLY   2           HA2      GLY   2   7.489  -2.738  -3.123
   17    HA3  GLY   2           HA1      GLY   2   6.413  -1.404  -3.529
   18    H    LEU   3           HN       LEU   3   5.694  -3.927  -1.180
   19    HA   LEU   3           HA       LEU   3   5.200  -3.830   1.058
   20    HB2  LEU   3           HB2      LEU   3   7.416  -1.770   0.977
   21    HB3  LEU   3           HB1      LEU   3   6.760  -2.482   2.448
   22    HG   LEU   3           HG       LEU   3   7.946  -4.109   0.181
   23   HD11  LEU   3          HD11      LEU   3   9.658  -2.645   1.200
   24   HD12  LEU   3          HD12      LEU   3   9.940  -4.337   1.614
   25   HD13  LEU   3          HD13      LEU   3   9.221  -3.248   2.799
   26   HD21  LEU   3          HD21      LEU   3   6.861  -4.739   2.925
   27   HD22  LEU   3          HD22      LEU   3   8.155  -5.739   2.264
   28   HD23  LEU   3          HD23      LEU   3   6.626  -5.603   1.406
   29    H    LEU   4           HN       LEU   4   4.414  -1.413  -0.998
   30    HA   LEU   4           HA       LEU   4   3.604   0.694   0.721
   31    HB2  LEU   4           HB2      LEU   4   2.594  -0.219  -1.977
   32    HB3  LEU   4           HB1      LEU   4   2.002   1.231  -1.171
   33    HG   LEU   4           HG       LEU   4   4.930   0.715  -1.776
   34   HD11  LEU   4          HD11      LEU   4   4.616   2.317  -3.653
   35   HD12  LEU   4          HD12      LEU   4   2.879   2.310  -3.343
   36   HD13  LEU   4          HD13      LEU   4   3.685   0.834  -3.876
   37   HD21  LEU   4          HD21      LEU   4   4.809   3.359  -1.590
   38   HD22  LEU   4          HD22      LEU   4   4.915   2.381  -0.133
   39   HD23  LEU   4          HD23      LEU   4   3.356   3.028  -0.647
   40    H    SER   5           HN       SER   5   1.931  -2.198  -0.483
   41    HA   SER   5           HA       SER   5  -0.494  -1.589   0.960
   42    HB2  SER   5           HB2      SER   5  -1.204  -3.839   0.222
   43    HB3  SER   5           HB1      SER   5  -0.598  -2.872  -1.120
   44    HG   SER   5           HG       SER   5   1.294  -4.008  -1.070
   45    H    TYR   6           HN       TYR   6   2.470  -3.258   1.584
   46    HA   TYR   6           HA       TYR   6   1.652  -5.008   3.633
   47    HB2  TYR   6           HB2      TYR   6   3.853  -5.190   2.605
   48    HB3  TYR   6           HB1      TYR   6   4.294  -3.593   3.208
   49    HD1  TYR   6           HD2      TYR   6   3.149  -6.964   4.367
   50    HD2  TYR   6           HD1      TYR   6   5.287  -3.363   5.326
   51    HE1  TYR   6           HE2      TYR   6   3.898  -7.978   6.501
   52    HE2  TYR   6           HE1      TYR   6   6.034  -4.376   7.466
   53    HH   TYR   6           HH       TYR   6   5.142  -6.239   9.028
   54    H    GLY   7           HN       GLY   7   2.859  -1.658   3.772
   55    HA2  GLY   7           HA2      GLY   7   2.327  -1.520   6.649
   56    HA3  GLY   7           HA1      GLY   7   3.092  -0.277   5.663
   57    H    ALA   8           HN       ALA   8   1.542   0.589   3.877
   58    HA   ALA   8           HA       ALA   8  -0.223   2.041   3.562
   59    HB1  ALA   8           HB1      ALA   8  -2.460   0.883   3.816
   60    HB2  ALA   8           HB2      ALA   8  -1.582  -0.509   4.451
   61    HB3  ALA   8           HB3      ALA   8  -1.290   0.041   2.800
   62    H    GLY   9           HN       GLY   9   1.022   1.979   6.296
   63    HA2  GLY   9           HA2      GLY   9   0.358   3.787   7.854
   64    HA3  GLY   9           HA1      GLY   9  -1.265   3.102   7.828
   65    H    VAL  10           HN       VAL  10   2.064   2.528   8.818
   66    HA   VAL  10           HA       VAL  10   1.646   0.086  10.184
   67    HB   VAL  10           HB       VAL  10   3.705   2.262  10.570
   68   HG11  VAL  10          HG11      VAL  10   3.730   1.042  12.607
   69   HG12  VAL  10          HG12      VAL  10   4.988   0.281  11.635
   70   HG13  VAL  10          HG13      VAL  10   3.407  -0.487  11.790
   71   HG21  VAL  10          HG21      VAL  10   5.102   0.931   9.167
   72   HG22  VAL  10          HG22      VAL  10   3.538   0.973   8.353
   73   HG23  VAL  10          HG23      VAL  10   4.013  -0.453   9.274
   74    H    ALA  11           HN       ALA  11   1.563   3.466  11.266
   75    HA   ALA  11           HA       ALA  11   1.108   2.894  14.005
   76    HB1  ALA  11           HB1      ALA  11   0.111   5.391  12.651
   77    HB2  ALA  11           HB2      ALA  11   1.838   5.114  12.872
   78    HB3  ALA  11           HB3      ALA  11   0.773   5.198  14.275
   79    H    SER  12           HN       SER  12  -0.835   2.401  11.332
   80    HA   SER  12           HA       SER  12  -3.402   3.094  12.320
   81    HB2  SER  12           HB2      SER  12  -2.811   0.847  10.396
   82    HB3  SER  12           HB1      SER  12  -4.270   1.828  10.505
   83    HG   SER  12           HG       SER  12  -3.311   3.080   9.124
   84    H    LEU  13           HN       LEU  13  -1.228   0.764  13.373
   85    HA   LEU  13           HA       LEU  13  -3.287  -1.132  14.263
   86    HB2  LEU  13           HB2      LEU  13  -0.355  -1.194  13.852
   87    HB3  LEU  13           HB1      LEU  13  -0.899  -2.066  15.286
   88    HG   LEU  13           HG       LEU  13  -2.525  -3.313  13.866
   89   HD11  LEU  13          HD11      LEU  13  -1.172  -1.712  11.679
   90   HD12  LEU  13          HD12      LEU  13  -2.897  -1.787  12.047
   91   HD13  LEU  13          HD13      LEU  13  -2.077  -3.191  11.363
   92   HD21  LEU  13          HD21      LEU  13   0.304  -3.469  12.787
   93   HD22  LEU  13          HD22      LEU  13  -0.881  -4.774  12.866
   94   HD23  LEU  13          HD23      LEU  13  -0.183  -4.127  14.350
   95    HA   PRO  14           HA       PRO  14  -1.476   0.038  18.570
   96    HB2  PRO  14           HB2      PRO  14   0.194   2.253  18.670
   97    HB3  PRO  14           HB1      PRO  14   0.764   0.578  18.541
   98    HG2  PRO  14           HG2      PRO  14   0.367   2.607  16.380
   99    HG3  PRO  14           HG1      PRO  14   1.723   1.493  16.639
  100    HD2  PRO  14           HD2      PRO  14  -0.154   0.943  14.807
  101    HD3  PRO  14           HD1      PRO  14   0.536  -0.350  15.817
  102    H    LEU  15           HN       LEU  15  -2.070   2.734  16.333
  103    HA   LEU  15           HA       LEU  15  -3.090   4.550  18.234
  104    HB2  LEU  15           HB2      LEU  15  -3.665   4.252  15.280
  105    HB3  LEU  15           HB1      LEU  15  -4.252   5.592  16.260
  106    HG   LEU  15           HG       LEU  15  -1.322   4.852  15.985
  107   HD11  LEU  15          HD11      LEU  15  -1.150   6.706  14.407
  108   HD12  LEU  15          HD12      LEU  15  -2.867   7.063  14.598
  109   HD13  LEU  15          HD13      LEU  15  -2.359   5.559  13.831
  110   HD21  LEU  15          HD21      LEU  15  -1.227   7.392  16.735
  111   HD22  LEU  15          HD22      LEU  15  -1.460   6.135  17.941
  112   HD23  LEU  15          HD23      LEU  15  -2.842   7.066  17.364
  113    H    LEU  16           HN       LEU  16  -4.656   2.064  16.285
  114    HA   LEU  16           HA       LEU  16  -7.307   2.665  17.099
  115    HB2  LEU  16           HB2      LEU  16  -5.961   0.316  15.796
  116    HB3  LEU  16           HB1      LEU  16  -7.619   0.147  16.372
  117    HG   LEU  16           HG       LEU  16  -8.345   2.015  15.002
  118   HD11  LEU  16          HD11      LEU  16  -5.384   2.344  14.526
  119   HD12  LEU  16          HD12      LEU  16  -6.556   3.545  15.060
  120   HD13  LEU  16          HD13      LEU  16  -6.563   2.994  13.386
  121   HD21  LEU  16          HD21      LEU  16  -6.567   0.068  13.500
  122   HD22  LEU  16          HD22      LEU  16  -7.763   1.111  12.730
  123   HD23  LEU  16          HD23      LEU  16  -8.279  -0.135  13.868
  124    H    ASN  17           HN       ASN  17  -4.827   0.490  18.372
  125    HA   ASN  17           HA       ASN  17  -6.435  -0.810  20.289
  126    HB2  ASN  17           HB2      ASN  17  -4.226  -1.647  19.646
  127    HB3  ASN  17           HB1      ASN  17  -3.464  -0.215  20.334
  128   HD21  ASN  17          HD21      ASN  17  -2.865  -2.885  21.254
  129   HD22  ASN  17          HD22      ASN  17  -3.423  -3.024  22.852
  130    H    VAL  18           HN       VAL  18  -4.526   2.180  20.421
  131    HA   VAL  18           HA       VAL  18  -4.914   2.698  23.178
  132    HB   VAL  18           HB       VAL  18  -4.319   4.517  20.835
  133   HG11  VAL  18          HG11      VAL  18  -3.615   6.119  22.743
  134   HG12  VAL  18          HG12      VAL  18  -4.645   5.129  23.778
  135   HG13  VAL  18          HG13      VAL  18  -5.340   5.981  22.398
  136   HG21  VAL  18          HG21      VAL  18  -2.570   2.892  21.486
  137   HG22  VAL  18          HG22      VAL  18  -2.646   3.476  23.147
  138   HG23  VAL  18          HG23      VAL  18  -2.071   4.540  21.861
  139    H    ILE  19           HN       ILE  19  -6.694   3.694  20.272
  140    HA   ILE  19           HA       ILE  19  -8.629   5.283  21.598
  141    HB   ILE  19           HB       ILE  19  -8.720   3.783  18.968
  142   HG12  ILE  19          HG12      ILE  19  -8.447   6.747  19.532
  143   HG13  ILE  19          HG11      ILE  19  -7.062   5.679  19.300
  144   HG21  ILE  19          HG21      ILE  19 -10.673   5.726  20.225
  145   HG22  ILE  19          HG22      ILE  19 -11.003   4.102  19.618
  146   HG23  ILE  19          HG23      ILE  19 -10.627   5.404  18.491
  147   HD11  ILE  19          HD11      ILE  19  -7.786   5.113  17.064
  148   HD12  ILE  19          HD12      ILE  19  -7.796   6.870  17.203
  149   HD13  ILE  19          HD13      ILE  19  -9.310   5.971  17.291
  150    H    ALA  20           HN       ALA  20  -8.535   1.881  20.635
  151    HA   ALA  20           HA       ALA  20 -11.145   1.292  21.706
  152    HB1  ALA  20           HB1      ALA  20  -8.884  -0.490  20.773
  153    HB2  ALA  20           HB2      ALA  20 -10.328  -0.045  19.865
  154    HB3  ALA  20           HB3      ALA  20 -10.464  -1.083  21.284
  155    HN1  NH2  21           H2       NH2  21  -8.298   0.723  24.537
  156    HN2  NH2  21           H1       NH2  21  -7.898   1.370  23.018
  Start of MODEL   26
    1    H1   ACE   0           HA2      ACE   0   2.833  -4.801  -4.990
    2    H2   ACE   0           HA3      ACE   0   4.348  -5.134  -5.833
    3    H3   ACE   0           HA1      ACE   0   3.878  -3.470  -5.488
    4    H    LEU   1           HN       LEU   1   6.344  -4.770  -4.719
    5    HA   LEU   1           HA       LEU   1   6.348  -5.592  -2.017
    6    HB2  LEU   1           HB2      LEU   1   8.486  -4.320  -3.733
    7    HB3  LEU   1           HB1      LEU   1   8.787  -4.954  -2.118
    8    HG   LEU   1           HG       LEU   1   7.591  -6.596  -4.367
    9   HD11  LEU   1          HD11      LEU   1  10.466  -6.369  -3.427
   10   HD12  LEU   1          HD12      LEU   1   9.837  -5.911  -5.009
   11   HD13  LEU   1          HD13      LEU   1   9.873  -7.609  -4.534
   12   HD21  LEU   1          HD21      LEU   1   8.648  -8.431  -2.757
   13   HD22  LEU   1          HD22      LEU   1   7.062  -7.755  -2.409
   14   HD23  LEU   1          HD23      LEU   1   8.480  -7.164  -1.543
   15    H    GLY   2           HN       GLY   2   6.781  -2.433  -3.547
   16    HA2  GLY   2           HA2      GLY   2   7.253  -1.004  -1.116
   17    HA3  GLY   2           HA1      GLY   2   6.872  -0.298  -2.685
   18    H    LEU   3           HN       LEU   3   4.450  -1.795  -3.063
   19    HA   LEU   3           HA       LEU   3   2.630  -0.024  -1.868
   20    HB2  LEU   3           HB2      LEU   3   2.154  -2.688  -3.204
   21    HB3  LEU   3           HB1      LEU   3   0.886  -1.538  -2.780
   22    HG   LEU   3           HG       LEU   3   3.230  -0.930  -4.609
   23   HD11  LEU   3          HD11      LEU   3   0.325  -1.551  -5.223
   24   HD12  LEU   3          HD12      LEU   3   1.720  -2.539  -5.650
   25   HD13  LEU   3          HD13      LEU   3   1.495  -0.960  -6.403
   26   HD21  LEU   3          HD21      LEU   3   2.598   1.175  -3.843
   27   HD22  LEU   3          HD22      LEU   3   0.934   0.686  -3.524
   28   HD23  LEU   3          HD23      LEU   3   1.461   1.002  -5.176
   29    H    LEU   4           HN       LEU   4   3.714  -3.249  -0.990
   30    HA   LEU   4           HA       LEU   4   1.762  -3.805   0.973
   31    HB2  LEU   4           HB2      LEU   4   3.665  -5.288  -0.111
   32    HB3  LEU   4           HB1      LEU   4   4.608  -4.736   1.263
   33    HG   LEU   4           HG       LEU   4   3.636  -6.807   1.929
   34   HD11  LEU   4          HD11      LEU   4   2.393  -6.228   3.856
   35   HD12  LEU   4          HD12      LEU   4   1.713  -4.798   3.092
   36   HD13  LEU   4          HD13      LEU   4   3.421  -4.834   3.541
   37   HD21  LEU   4          HD21      LEU   4   1.810  -6.623   0.065
   38   HD22  LEU   4          HD22      LEU   4   0.834  -5.867   1.321
   39   HD23  LEU   4          HD23      LEU   4   1.434  -7.507   1.539
   40    H    SER   5           HN       SER   5   4.900  -2.164   1.134
   41    HA   SER   5           HA       SER   5   4.717  -1.681   3.976
   42    HB2  SER   5           HB2      SER   5   6.803  -0.506   3.719
   43    HB3  SER   5           HB1      SER   5   6.880  -1.969   2.743
   44    HG   SER   5           HG       SER   5   5.870   0.340   1.549
   45    H    TYR   6           HN       TYR   6   3.032  -0.420   1.496
   46    HA   TYR   6           HA       TYR   6   3.189   2.372   1.754
   47    HB2  TYR   6           HB2      TYR   6   1.955   1.058  -0.001
   48    HB3  TYR   6           HB1      TYR   6   0.694   0.762   1.185
   49    HD1  TYR   6           HD1      TYR   6  -0.430   2.808   2.279
   50    HD2  TYR   6           HD2      TYR   6   2.020   3.048  -1.241
   51    HE1  TYR   6           HE1      TYR   6  -1.447   4.999   1.715
   52    HE2  TYR   6           HE2      TYR   6   1.008   5.230  -1.804
   53    HH   TYR   6           HH       TYR   6  -0.207   7.164  -0.193
   54    H    GLY   7           HN       GLY   7   1.103   0.013   3.412
   55    HA2  GLY   7           HA2      GLY   7   1.053   0.891   5.937
   56    HA3  GLY   7           HA1      GLY   7  -0.007   2.064   5.161
   57    H    ALA   8           HN       ALA   8   0.478  -1.480   5.043
   58    HA   ALA   8           HA       ALA   8  -2.202  -2.089   4.410
   59    HB1  ALA   8           HB1      ALA   8  -1.634  -4.376   4.958
   60    HB2  ALA   8           HB2      ALA   8  -0.232  -3.848   5.887
   61    HB3  ALA   8           HB3      ALA   8  -0.258  -3.643   4.137
   62    H    GLY   9           HN       GLY   9  -0.503  -1.779   7.495
   63    HA2  GLY   9           HA2      GLY   9  -2.376  -0.819   9.125
   64    HA3  GLY   9           HA1      GLY   9  -2.896  -2.498   9.018
   65    H    VAL  10           HN       VAL  10  -0.003  -0.529   9.690
   66    HA   VAL  10           HA       VAL  10   1.122  -2.674  11.352
   67    HB   VAL  10           HB       VAL  10   2.207   0.004  10.458
   68   HG11  VAL  10          HG11      VAL  10   3.207  -0.432  12.585
   69   HG12  VAL  10          HG12      VAL  10   4.378  -0.986  11.388
   70   HG13  VAL  10          HG13      VAL  10   3.365  -2.154  12.235
   71   HG21  VAL  10          HG21      VAL  10   2.092  -1.665   8.675
   72   HG22  VAL  10          HG22      VAL  10   2.856  -2.865   9.717
   73   HG23  VAL  10          HG23      VAL  10   3.773  -1.459   9.173
   74    H    ALA  11           HN       ALA  11   1.184   0.835  11.846
   75    HA   ALA  11           HA       ALA  11   0.544   0.434  14.691
   76    HB1  ALA  11           HB1      ALA  11   2.533   1.777  14.131
   77    HB2  ALA  11           HB2      ALA  11   1.316   2.747  14.962
   78    HB3  ALA  11           HB3      ALA  11   1.519   2.894  13.217
   79    H    SER  12           HN       SER  12  -1.063   1.088  11.853
   80    HA   SER  12           HA       SER  12  -2.935   3.046  12.928
   81    HB2  SER  12           HB2      SER  12  -3.928   3.021  10.739
   82    HB3  SER  12           HB1      SER  12  -2.178   3.069  10.544
   83    HG   SER  12           HG       SER  12  -2.430   1.320   9.421
   84    H    LEU  13           HN       LEU  13  -2.604  -0.295  13.145
   85    HA   LEU  13           HA       LEU  13  -5.533  -0.707  13.351
   86    HB2  LEU  13           HB2      LEU  13  -3.603  -2.166  11.948
   87    HB3  LEU  13           HB1      LEU  13  -3.902  -3.157  13.370
   88    HG   LEU  13           HG       LEU  13  -6.084  -2.077  11.556
   89   HD11  LEU  13          HD11      LEU  13  -4.778  -3.683  10.315
   90   HD12  LEU  13          HD12      LEU  13  -6.254  -4.492  10.846
   91   HD13  LEU  13          HD13      LEU  13  -4.733  -4.786  11.690
   92   HD21  LEU  13          HD21      LEU  13  -7.005  -2.490  13.716
   93   HD22  LEU  13          HD22      LEU  13  -6.022  -3.933  13.947
   94   HD23  LEU  13          HD23      LEU  13  -7.358  -3.952  12.797
   95    HA   PRO  14           HA       PRO  14  -3.986  -2.485  17.419
   96    HB2  PRO  14           HB2      PRO  14  -1.367  -2.676  18.020
   97    HB3  PRO  14           HB1      PRO  14  -2.143  -3.800  16.883
   98    HG2  PRO  14           HG2      PRO  14  -0.313  -1.527  16.333
   99    HG3  PRO  14           HG1      PRO  14  -0.536  -3.038  15.437
  100    HD2  PRO  14           HD2      PRO  14  -1.699  -0.483  14.826
  101    HD3  PRO  14           HD1      PRO  14  -2.033  -2.026  14.017
  102    H    LEU  15           HN       LEU  15  -1.359  -0.111  16.891
  103    HA   LEU  15           HA       LEU  15  -1.539   1.067  19.442
  104    HB2  LEU  15           HB2      LEU  15  -0.399   2.042  16.824
  105    HB3  LEU  15           HB1      LEU  15  -0.283   2.980  18.309
  106    HG   LEU  15           HG       LEU  15   0.625   0.094  18.217
  107   HD11  LEU  15          HD11      LEU  15   2.129   2.582  17.377
  108   HD12  LEU  15          HD12      LEU  15   1.924   1.080  16.477
  109   HD13  LEU  15          HD13      LEU  15   2.959   1.117  17.903
  110   HD21  LEU  15          HD21      LEU  15   2.190   1.028  20.019
  111   HD22  LEU  15          HD22      LEU  15   0.489   0.971  20.458
  112   HD23  LEU  15          HD23      LEU  15   1.223   2.498  19.975
  113    H    LEU  16           HN       LEU  16  -3.005   1.977  16.345
  114    HA   LEU  16           HA       LEU  16  -4.151   4.400  17.210
  115    HB2  LEU  16           HB2      LEU  16  -3.968   3.823  14.851
  116    HB3  LEU  16           HB1      LEU  16  -5.075   2.472  15.065
  117    HG   LEU  16           HG       LEU  16  -6.883   4.026  15.674
  118   HD11  LEU  16          HD11      LEU  16  -5.882   5.867  16.735
  119   HD12  LEU  16          HD12      LEU  16  -6.317   6.542  15.169
  120   HD13  LEU  16          HD13      LEU  16  -4.654   6.047  15.483
  121   HD21  LEU  16          HD21      LEU  16  -6.698   3.509  13.331
  122   HD22  LEU  16          HD22      LEU  16  -5.380   4.663  13.122
  123   HD23  LEU  16          HD23      LEU  16  -7.014   5.240  13.451
  124    H    ASN  17           HN       ASN  17  -5.318   1.068  17.296
  125    HA   ASN  17           HA       ASN  17  -7.952   1.592  18.135
  126    HB2  ASN  17           HB2      ASN  17  -6.104  -0.771  18.409
  127    HB3  ASN  17           HB1      ASN  17  -7.705  -0.793  19.147
  128   HD21  ASN  17          HD21      ASN  17  -6.920   0.815  16.053
  129   HD22  ASN  17          HD22      ASN  17  -7.886  -0.205  15.101
  130    H    VAL  18           HN       VAL  18  -4.950   1.149  19.976
  131    HA   VAL  18           HA       VAL  18  -6.112   1.115  22.553
  132    HB   VAL  18           HB       VAL  18  -3.364   1.999  21.636
  133   HG11  VAL  18          HG11      VAL  18  -2.782   1.548  24.071
  134   HG12  VAL  18          HG12      VAL  18  -4.514   1.535  24.400
  135   HG13  VAL  18          HG13      VAL  18  -3.742   2.999  23.791
  136   HG21  VAL  18          HG21      VAL  18  -4.019  -0.382  21.216
  137   HG22  VAL  18          HG22      VAL  18  -4.321  -0.567  22.944
  138   HG23  VAL  18          HG23      VAL  18  -2.689  -0.228  22.363
  139    H    ILE  19           HN       ILE  19  -4.747   3.788  20.632
  140    HA   ILE  19           HA       ILE  19  -5.317   5.816  22.549
  141    HB   ILE  19           HB       ILE  19  -5.006   6.098  19.554
  142   HG12  ILE  19          HG12      ILE  19  -3.073   4.935  20.492
  143   HG13  ILE  19          HG11      ILE  19  -2.621   6.585  20.084
  144   HG21  ILE  19          HG21      ILE  19  -5.938   8.089  20.608
  145   HG22  ILE  19          HG22      ILE  19  -4.260   8.394  20.154
  146   HG23  ILE  19          HG23      ILE  19  -4.673   8.063  21.837
  147   HD11  ILE  19          HD11      ILE  19  -1.689   6.300  22.218
  148   HD12  ILE  19          HD12      ILE  19  -3.060   5.363  22.803
  149   HD13  ILE  19          HD13      ILE  19  -3.213   7.105  22.582
  150    H    ALA  20           HN       ALA  20  -7.035   4.600  19.698
  151    HA   ALA  20           HA       ALA  20  -9.206   6.461  19.931
  152    HB1  ALA  20           HB1      ALA  20  -8.760   5.494  17.776
  153    HB2  ALA  20           HB2      ALA  20 -10.329   4.896  18.311
  154    HB3  ALA  20           HB3      ALA  20  -8.907   3.859  18.420
  155    HN1  NH2  21           H2       NH2  21 -10.440   2.923  21.627
  156    HN2  NH2  21           H1       NH2  21  -9.267   2.875  20.401
  Start of MODEL   27
    1    H1   ACE   0           HA2      ACE   0   5.860  -7.074   1.262
    2    H2   ACE   0           HA3      ACE   0   7.601  -6.817   1.348
    3    H3   ACE   0           HA1      ACE   0   6.872  -7.425  -0.138
    4    H    LEU   1           HN       LEU   1   7.503  -5.761  -1.491
    5    HA   LEU   1           HA       LEU   1   7.365  -3.011  -0.879
    6    HB2  LEU   1           HB2      LEU   1   7.339  -4.491  -3.513
    7    HB3  LEU   1           HB1      LEU   1   7.435  -2.738  -3.395
    8    HG   LEU   1           HG       LEU   1   9.383  -4.597  -2.000
    9   HD11  LEU   1          HD11      LEU   1  10.938  -3.985  -3.887
   10   HD12  LEU   1          HD12      LEU   1   9.552  -3.293  -4.731
   11   HD13  LEU   1          HD13      LEU   1   9.593  -5.019  -4.368
   12   HD21  LEU   1          HD21      LEU   1   9.597  -2.483  -0.988
   13   HD22  LEU   1          HD22      LEU   1   9.212  -1.618  -2.473
   14   HD23  LEU   1          HD23      LEU   1  10.788  -2.379  -2.279
   15    H    GLY   2           HN       GLY   2   5.068  -5.183  -2.497
   16    HA2  GLY   2           HA2      GLY   2   3.136  -3.148  -3.054
   17    HA3  GLY   2           HA1      GLY   2   2.870  -4.889  -3.122
   18    H    LEU   3           HN       LEU   3   3.583  -5.549  -0.510
   19    HA   LEU   3           HA       LEU   3   1.159  -5.120   0.852
   20    HB2  LEU   3           HB2      LEU   3   3.828  -6.095   1.882
   21    HB3  LEU   3           HB1      LEU   3   2.312  -6.197   2.776
   22    HG   LEU   3           HG       LEU   3   2.797  -7.447   0.054
   23   HD11  LEU   3          HD11      LEU   3   2.716  -9.598   1.392
   24   HD12  LEU   3          HD12      LEU   3   2.849  -8.613   2.849
   25   HD13  LEU   3          HD13      LEU   3   4.151  -8.612   1.658
   26   HD21  LEU   3          HD21      LEU   3   0.441  -7.331   1.930
   27   HD22  LEU   3          HD22      LEU   3   0.671  -8.765   0.931
   28   HD23  LEU   3          HD23      LEU   3   0.477  -7.191   0.172
   29    H    LEU   4           HN       LEU   4   4.296  -3.557   1.066
   30    HA   LEU   4           HA       LEU   4   3.889  -2.083   3.414
   31    HB2  LEU   4           HB2      LEU   4   6.085  -2.295   2.357
   32    HB3  LEU   4           HB1      LEU   4   5.521  -1.383   0.959
   33    HG   LEU   4           HG       LEU   4   5.158   0.599   2.378
   34   HD11  LEU   4          HD11      LEU   4   6.244   0.400   4.756
   35   HD12  LEU   4          HD12      LEU   4   5.951  -1.328   4.559
   36   HD13  LEU   4          HD13      LEU   4   4.600  -0.192   4.523
   37   HD21  LEU   4          HD21      LEU   4   7.879  -0.713   2.616
   38   HD22  LEU   4          HD22      LEU   4   7.576   0.979   3.003
   39   HD23  LEU   4          HD23      LEU   4   7.339   0.394   1.356
   40    H    SER   5           HN       SER   5   3.002  -1.406   0.052
   41    HA   SER   5           HA       SER   5   2.247   1.276   0.337
   42    HB2  SER   5           HB2      SER   5   2.454   0.145  -1.842
   43    HB3  SER   5           HB1      SER   5   1.034  -0.828  -1.470
   44    HG   SER   5           HG       SER   5   1.232   1.959  -1.896
   45    H    TYR   6           HN       TYR   6   0.315  -1.695   0.782
   46    HA   TYR   6           HA       TYR   6  -2.125  -0.370   1.365
   47    HB2  TYR   6           HB2      TYR   6  -1.101  -3.117   2.108
   48    HB3  TYR   6           HB1      TYR   6  -2.732  -2.559   2.477
   49    HD1  TYR   6           HD2      TYR   6  -4.289  -1.926   0.621
   50    HD2  TYR   6           HD1      TYR   6  -0.474  -3.742  -0.112
   51    HE1  TYR   6           HE2      TYR   6  -5.006  -2.499  -1.686
   52    HE2  TYR   6           HE1      TYR   6  -1.182  -4.313  -2.418
   53    HH   TYR   6           HH       TYR   6  -3.538  -4.712  -3.572
   54    H    GLY   7           HN       GLY   7   0.529  -1.532   3.386
   55    HA2  GLY   7           HA2      GLY   7  -0.672  -0.234   5.763
   56    HA3  GLY   7           HA1      GLY   7   0.533  -1.520   5.800
   57    H    ALA   8           HN       ALA   8   0.530   1.321   3.724
   58    HA   ALA   8           HA       ALA   8   3.233   1.934   4.094
   59    HB1  ALA   8           HB1      ALA   8   0.944   3.733   3.271
   60    HB2  ALA   8           HB2      ALA   8   1.977   2.791   2.196
   61    HB3  ALA   8           HB3      ALA   8   2.651   4.142   3.109
   62    H    GLY   9           HN       GLY   9   0.364   3.051   5.839
   63    HA2  GLY   9           HA2      GLY   9   2.138   4.232   7.891
   64    HA3  GLY   9           HA1      GLY   9   0.746   5.126   7.286
   65    H    VAL  10           HN       VAL  10  -0.265   5.183   9.277
   66    HA   VAL  10           HA       VAL  10  -1.676   4.492  10.940
   67    HB   VAL  10           HB       VAL  10  -2.145   1.935   9.415
   68   HG11  VAL  10          HG11      VAL  10  -3.924   3.828  10.988
   69   HG12  VAL  10          HG12      VAL  10  -3.333   2.264  11.545
   70   HG13  VAL  10          HG13      VAL  10  -4.466   2.349  10.197
   71   HG21  VAL  10          HG21      VAL  10  -2.208   3.530   7.647
   72   HG22  VAL  10          HG22      VAL  10  -2.960   4.753   8.671
   73   HG23  VAL  10          HG23      VAL  10  -3.887   3.348   8.144
   74    H    ALA  11           HN       ALA  11   1.129   2.891  10.192
   75    HA   ALA  11           HA       ALA  11   2.462   1.356  11.268
   76    HB1  ALA  11           HB1      ALA  11   2.530   1.610  13.710
   77    HB2  ALA  11           HB2      ALA  11   1.013   2.508  13.664
   78    HB3  ALA  11           HB3      ALA  11   2.460   3.180  12.912
   79    H    SER  12           HN       SER  12  -0.106   0.338  10.323
   80    HA   SER  12           HA       SER  12  -1.210  -1.682  10.392
   81    HB2  SER  12           HB2      SER  12  -0.170  -3.486  11.405
   82    HB3  SER  12           HB1      SER  12   1.178  -2.354  11.346
   83    HG   SER  12           HG       SER  12  -0.624  -2.641  13.525
   84    H    LEU  13           HN       LEU  13  -1.689   0.742  12.249
   85    HA   LEU  13           HA       LEU  13  -3.216   1.386  13.832
   86    HB2  LEU  13           HB2      LEU  13  -4.641   0.113  12.101
   87    HB3  LEU  13           HB1      LEU  13  -4.635  -1.212  13.262
   88    HG   LEU  13           HG       LEU  13  -5.396   0.685  14.965
   89   HD11  LEU  13          HD11      LEU  13  -6.658   2.465  13.999
   90   HD12  LEU  13          HD12      LEU  13  -6.573   1.752  12.389
   91   HD13  LEU  13          HD13      LEU  13  -5.132   2.451  13.120
   92   HD21  LEU  13          HD21      LEU  13  -7.770   0.166  14.387
   93   HD22  LEU  13          HD22      LEU  13  -6.755  -1.275  14.404
   94   HD23  LEU  13          HD23      LEU  13  -7.219  -0.542  12.870
   95    HA   PRO  14           HA       PRO  14  -1.785  -1.585  17.069
   96    HB2  PRO  14           HB2      PRO  14   0.475  -0.370  17.946
   97    HB3  PRO  14           HB1      PRO  14   0.463  -1.406  16.505
   98    HG2  PRO  14           HG2      PRO  14   0.708   1.531  16.686
   99    HG3  PRO  14           HG1      PRO  14   1.198   0.437  15.387
  100    HD2  PRO  14           HD2      PRO  14  -1.229   2.034  15.547
  101    HD3  PRO  14           HD1      PRO  14  -0.690   0.991  14.219
  102    H    LEU  15           HN       LEU  15  -0.665   1.692  17.828
  103    HA   LEU  15           HA       LEU  15  -1.808   1.764  20.410
  104    HB2  LEU  15           HB2      LEU  15  -0.796   3.963  18.597
  105    HB3  LEU  15           HB1      LEU  15  -1.289   4.228  20.265
  106    HG   LEU  15           HG       LEU  15   0.817   2.198  19.469
  107   HD11  LEU  15          HD11      LEU  15   1.582   4.415  18.784
  108   HD12  LEU  15          HD12      LEU  15   2.470   3.900  20.218
  109   HD13  LEU  15          HD13      LEU  15   1.163   5.075  20.365
  110   HD21  LEU  15          HD21      LEU  15  -0.188   3.343  22.079
  111   HD22  LEU  15          HD22      LEU  15   1.464   2.743  21.961
  112   HD23  LEU  15          HD23      LEU  15   0.115   1.660  21.649
  113    H    LEU  16           HN       LEU  16  -2.884   2.965  17.278
  114    HA   LEU  16           HA       LEU  16  -5.082   4.488  18.140
  115    HB2  LEU  16           HB2      LEU  16  -4.635   2.940  15.579
  116    HB3  LEU  16           HB1      LEU  16  -5.958   4.076  15.824
  117    HG   LEU  16           HG       LEU  16  -3.033   4.802  16.140
  118   HD11  LEU  16          HD11      LEU  16  -3.587   4.117  13.818
  119   HD12  LEU  16          HD12      LEU  16  -3.206   5.836  13.928
  120   HD13  LEU  16          HD13      LEU  16  -4.884   5.312  13.793
  121   HD21  LEU  16          HD21      LEU  16  -5.637   6.319  16.274
  122   HD22  LEU  16          HD22      LEU  16  -4.197   7.145  15.684
  123   HD23  LEU  16          HD23      LEU  16  -4.211   6.455  17.302
  124    H    ASN  17           HN       ASN  17  -4.778   1.053  17.337
  125    HA   ASN  17           HA       ASN  17  -7.508   0.379  17.520
  126    HB2  ASN  17           HB2      ASN  17  -5.848  -1.133  16.549
  127    HB3  ASN  17           HB1      ASN  17  -5.069  -1.310  18.121
  128   HD21  ASN  17          HD21      ASN  17  -5.839  -3.698  17.217
  129   HD22  ASN  17          HD22      ASN  17  -7.303  -4.218  17.900
  130    H    VAL  18           HN       VAL  18  -4.936   0.456  19.961
  131    HA   VAL  18           HA       VAL  18  -6.487  -0.576  22.104
  132    HB   VAL  18           HB       VAL  18  -4.055   1.228  22.116
  133   HG11  VAL  18          HG11      VAL  18  -5.126   1.457  24.248
  134   HG12  VAL  18          HG12      VAL  18  -3.830   0.283  24.475
  135   HG13  VAL  18          HG13      VAL  18  -5.499  -0.264  24.316
  136   HG21  VAL  18          HG21      VAL  18  -3.884  -1.088  21.069
  137   HG22  VAL  18          HG22      VAL  18  -4.265  -1.744  22.661
  138   HG23  VAL  18          HG23      VAL  18  -2.798  -0.795  22.425
  139    H    ILE  19           HN       ILE  19  -5.746   2.718  21.026
  140    HA   ILE  19           HA       ILE  19  -7.151   4.071  23.076
  141    HB   ILE  19           HB       ILE  19  -6.443   4.896  20.249
  142   HG12  ILE  19          HG12      ILE  19  -5.233   5.726  22.898
  143   HG13  ILE  19          HG11      ILE  19  -4.610   4.389  21.932
  144   HG21  ILE  19          HG21      ILE  19  -7.662   6.442  22.549
  145   HG22  ILE  19          HG22      ILE  19  -8.264   6.304  20.896
  146   HG23  ILE  19          HG23      ILE  19  -6.802   7.233  21.227
  147   HD11  ILE  19          HD11      ILE  19  -4.844   7.282  21.058
  148   HD12  ILE  19          HD12      ILE  19  -4.343   5.960  20.006
  149   HD13  ILE  19          HD13      ILE  19  -3.351   6.406  21.395
  150    H    ALA  20           HN       ALA  20  -8.080   2.977  19.839
  151    HA   ALA  20           HA       ALA  20 -10.733   4.038  19.951
  152    HB1  ALA  20           HB1      ALA  20  -9.770   3.593  17.796
  153    HB2  ALA  20           HB2      ALA  20 -11.121   2.480  18.007
  154    HB3  ALA  20           HB3      ALA  20  -9.466   1.908  18.217
  155    HN1  NH2  21           H2       NH2  21 -10.771   0.250  21.495
  156    HN2  NH2  21           H1       NH2  21  -9.342   0.865  20.815
  Start of MODEL   28
    1    H1   ACE   0           HA2      ACE   0   0.383  -7.618   0.658
    2    H2   ACE   0           HA3      ACE   0  -0.692  -6.289   0.222
    3    H3   ACE   0           HA1      ACE   0   0.718  -5.986   1.238
    4    H    LEU   1           HN       LEU   1   2.727  -7.271  -0.024
    5    HA   LEU   1           HA       LEU   1   4.340  -6.700  -1.589
    6    HB2  LEU   1           HB2      LEU   1   2.063  -7.544  -3.388
    7    HB3  LEU   1           HB1      LEU   1   3.778  -7.557  -3.806
    8    HG   LEU   1           HG       LEU   1   2.587  -9.104  -1.492
    9   HD11  LEU   1          HD11      LEU   1   2.825 -11.092  -2.933
   10   HD12  LEU   1          HD12      LEU   1   3.385 -10.069  -4.257
   11   HD13  LEU   1          HD13      LEU   1   1.730  -9.919  -3.667
   12   HD21  LEU   1          HD21      LEU   1   5.336  -8.892  -2.721
   13   HD22  LEU   1          HD22      LEU   1   4.848 -10.381  -1.914
   14   HD23  LEU   1          HD23      LEU   1   4.875  -8.866  -1.018
   15    H    GLY   2           HN       GLY   2   2.566  -4.451  -0.811
   16    HA2  GLY   2           HA2      GLY   2   3.514  -2.458  -2.487
   17    HA3  GLY   2           HA1      GLY   2   1.935  -2.907  -3.121
   18    H    LEU   3           HN       LEU   3   0.434  -3.373  -0.936
   19    HA   LEU   3           HA       LEU   3  -0.201  -0.777  -0.004
   20    HB2  LEU   3           HB2      LEU   3  -1.058  -3.493   1.032
   21    HB3  LEU   3           HB1      LEU   3  -1.783  -1.959   1.509
   22    HG   LEU   3           HG       LEU   3  -1.651  -2.993  -1.339
   23   HD11  LEU   3          HD11      LEU   3  -3.998  -3.518  -1.113
   24   HD12  LEU   3          HD12      LEU   3  -4.048  -2.829   0.509
   25   HD13  LEU   3          HD13      LEU   3  -3.138  -4.309   0.207
   26   HD21  LEU   3          HD21      LEU   3  -1.863  -0.691  -1.611
   27   HD22  LEU   3          HD22      LEU   3  -2.671  -0.466  -0.062
   28   HD23  LEU   3          HD23      LEU   3  -3.562  -1.121  -1.435
   29    H    LEU   4           HN       LEU   4   1.687  -3.405   1.359
   30    HA   LEU   4           HA       LEU   4   1.894  -2.513   4.003
   31    HB2  LEU   4           HB2      LEU   4   2.663  -4.735   3.206
   32    HB3  LEU   4           HB1      LEU   4   3.982  -3.950   2.346
   33    HG   LEU   4           HG       LEU   4   4.786  -3.023   4.552
   34   HD11  LEU   4          HD11      LEU   4   2.921  -3.055   5.994
   35   HD12  LEU   4          HD12      LEU   4   3.872  -4.424   6.558
   36   HD13  LEU   4          HD13      LEU   4   2.469  -4.694   5.528
   37   HD21  LEU   4          HD21      LEU   4   5.590  -5.285   5.388
   38   HD22  LEU   4          HD22      LEU   4   5.893  -4.965   3.680
   39   HD23  LEU   4          HD23      LEU   4   4.560  -6.016   4.159
   40    H    SER   5           HN       SER   5   3.786  -1.665   1.128
   41    HA   SER   5           HA       SER   5   5.803  -0.188   2.377
   42    HB2  SER   5           HB2      SER   5   6.141   0.878   0.200
   43    HB3  SER   5           HB1      SER   5   5.861  -0.849   0.005
   44    HG   SER   5           HG       SER   5   4.074  -0.420  -1.018
   45    H    TYR   6           HN       TYR   6   2.462   0.624   1.881
   46    HA   TYR   6           HA       TYR   6   2.879   3.481   2.160
   47    HB2  TYR   6           HB2      TYR   6   0.432   1.723   2.021
   48    HB3  TYR   6           HB1      TYR   6   0.308   3.431   2.439
   49    HD1  TYR   6           HD1      TYR   6   1.275   1.035  -0.203
   50    HD2  TYR   6           HD2      TYR   6   0.720   5.166   0.811
   51    HE1  TYR   6           HE1      TYR   6   1.422   1.639  -2.603
   52    HE2  TYR   6           HE2      TYR   6   0.868   5.775  -1.588
   53    HH   TYR   6           HH       TYR   6   1.772   4.883  -3.656
   54    H    GLY   7           HN       GLY   7   3.519   1.249   4.282
   55    HA2  GLY   7           HA2      GLY   7   3.830   1.415   6.576
   56    HA3  GLY   7           HA1      GLY   7   2.962   2.947   6.549
   57    H    ALA   8           HN       ALA   8   1.587   0.071   5.133
   58    HA   ALA   8           HA       ALA   8  -0.766   0.277   6.728
   59    HB1  ALA   8           HB1      ALA   8  -0.046  -2.242   5.254
   60    HB2  ALA   8           HB2      ALA   8  -0.419  -0.778   4.350
   61    HB3  ALA   8           HB3      ALA   8  -1.620  -1.469   5.440
   62    H    GLY   9           HN       GLY   9   2.273  -0.955   7.402
   63    HA2  GLY   9           HA2      GLY   9   1.297  -2.968   9.333
   64    HA3  GLY   9           HA1      GLY   9   2.960  -2.775   8.787
   65    H    VAL  10           HN       VAL  10   3.690  -0.311   9.230
   66    HA   VAL  10           HA       VAL  10   3.970  -0.115  12.040
   67    HB   VAL  10           HB       VAL  10   4.520   1.902   9.856
   68   HG11  VAL  10          HG11      VAL  10   4.355   3.149  11.878
   69   HG12  VAL  10          HG12      VAL  10   6.079   2.848  11.658
   70   HG13  VAL  10          HG13      VAL  10   5.154   1.884  12.811
   71   HG21  VAL  10          HG21      VAL  10   6.803   1.130  10.014
   72   HG22  VAL  10          HG22      VAL  10   5.777  -0.291   9.812
   73   HG23  VAL  10          HG23      VAL  10   6.416   0.116  11.404
   74    H    ALA  11           HN       ALA  11   2.006   1.727   9.715
   75    HA   ALA  11           HA       ALA  11   0.870   3.421  11.748
   76    HB1  ALA  11           HB1      ALA  11  -0.304   4.468  10.005
   77    HB2  ALA  11           HB2      ALA  11  -0.273   3.024   8.992
   78    HB3  ALA  11           HB3      ALA  11   1.203   3.953   9.247
   79    H    SER  12           HN       SER  12   0.464   0.263  11.372
   80    HA   SER  12           HA       SER  12  -2.457   0.305  11.896
   81    HB2  SER  12           HB2      SER  12  -2.422  -2.076  11.206
   82    HB3  SER  12           HB1      SER  12  -1.937  -0.983   9.913
   83    HG   SER  12           HG       SER  12  -0.606  -3.024  10.793
   84    H    LEU  13           HN       LEU  13  -0.696   0.981  13.902
   85    HA   LEU  13           HA       LEU  13  -1.206  -1.185  15.799
   86    HB2  LEU  13           HB2      LEU  13   1.369  -0.838  14.743
   87    HB3  LEU  13           HB1      LEU  13   1.450  -0.005  16.290
   88    HG   LEU  13           HG       LEU  13   0.315  -2.155  17.255
   89   HD11  LEU  13          HD11      LEU  13   1.458  -3.187  14.639
   90   HD12  LEU  13          HD12      LEU  13  -0.243  -3.197  15.107
   91   HD13  LEU  13          HD13      LEU  13   0.916  -4.203  15.974
   92   HD21  LEU  13          HD21      LEU  13   2.500  -3.182  17.607
   93   HD22  LEU  13          HD22      LEU  13   2.675  -1.429  17.668
   94   HD23  LEU  13          HD23      LEU  13   3.167  -2.315  16.224
   95    HA   PRO  14           HA       PRO  14  -0.501   2.962  18.158
   96    HB2  PRO  14           HB2      PRO  14  -0.485   5.048  16.050
   97    HB3  PRO  14           HB1      PRO  14   0.660   4.792  17.380
   98    HG2  PRO  14           HG2      PRO  14   1.328   4.305  14.831
   99    HG3  PRO  14           HG1      PRO  14   1.941   3.303  16.162
  100    HD2  PRO  14           HD2      PRO  14  -0.336   2.730  14.274
  101    HD3  PRO  14           HD1      PRO  14   0.977   1.655  14.800
  102    H    LEU  15           HN       LEU  15  -2.126   3.963  15.145
  103    HA   LEU  15           HA       LEU  15  -4.293   5.258  16.388
  104    HB2  LEU  15           HB2      LEU  15  -3.956   4.119  13.612
  105    HB3  LEU  15           HB1      LEU  15  -5.351   5.074  14.100
  106    HG   LEU  15           HG       LEU  15  -2.496   6.049  14.393
  107   HD11  LEU  15          HD11      LEU  15  -2.790   5.743  12.049
  108   HD12  LEU  15          HD12      LEU  15  -3.103   7.454  12.344
  109   HD13  LEU  15          HD13      LEU  15  -4.448   6.339  12.105
  110   HD21  LEU  15          HD21      LEU  15  -3.873   8.299  14.249
  111   HD22  LEU  15          HD22      LEU  15  -3.826   7.413  15.768
  112   HD23  LEU  15          HD23      LEU  15  -5.234   7.281  14.716
  113    H    LEU  16           HN       LEU  16  -4.005   1.961  15.081
  114    HA   LEU  16           HA       LEU  16  -6.711   1.250  15.452
  115    HB2  LEU  16           HB2      LEU  16  -4.211  -0.448  15.406
  116    HB3  LEU  16           HB1      LEU  16  -5.845  -1.107  15.419
  117    HG   LEU  16           HG       LEU  16  -4.787   0.812  13.319
  118   HD11  LEU  16          HD11      LEU  16  -4.435  -1.029  11.885
  119   HD12  LEU  16          HD12      LEU  16  -5.369  -2.121  12.906
  120   HD13  LEU  16          HD13      LEU  16  -3.779  -1.570  13.426
  121   HD21  LEU  16          HD21      LEU  16  -7.092   1.083  13.190
  122   HD22  LEU  16          HD22      LEU  16  -7.434  -0.531  13.810
  123   HD23  LEU  16          HD23      LEU  16  -6.910  -0.317  12.139
  124    H    ASN  17           HN       ASN  17  -3.895   1.009  17.578
  125    HA   ASN  17           HA       ASN  17  -5.157  -0.429  19.654
  126    HB2  ASN  17           HB2      ASN  17  -2.727  -0.144  19.573
  127    HB3  ASN  17           HB1      ASN  17  -2.908   1.595  19.816
  128   HD21  ASN  17          HD21      ASN  17  -1.406   0.600  21.761
  129   HD22  ASN  17          HD22      ASN  17  -2.273   0.305  23.191
  130    H    VAL  18           HN       VAL  18  -4.884   3.047  19.009
  131    HA   VAL  18           HA       VAL  18  -6.161   3.935  21.379
  132    HB   VAL  18           HB       VAL  18  -5.889   5.207  18.645
  133   HG11  VAL  18          HG11      VAL  18  -6.400   7.333  19.983
  134   HG12  VAL  18          HG12      VAL  18  -7.026   6.266  21.240
  135   HG13  VAL  18          HG13      VAL  18  -7.771   6.277  19.641
  136   HG21  VAL  18          HG21      VAL  18  -4.047   6.379  19.581
  137   HG22  VAL  18          HG22      VAL  18  -3.839   4.716  20.129
  138   HG23  VAL  18          HG23      VAL  18  -4.493   5.932  21.228
  139    H    ILE  19           HN       ILE  19  -7.376   3.259  18.112
  140    HA   ILE  19           HA       ILE  19 -10.080   3.930  18.617
  141    HB   ILE  19           HB       ILE  19  -8.823   2.061  16.592
  142   HG12  ILE  19          HG12      ILE  19  -9.991   4.837  16.254
  143   HG13  ILE  19          HG11      ILE  19  -8.277   4.540  16.543
  144   HG21  ILE  19          HG21      ILE  19 -11.102   1.367  16.783
  145   HG22  ILE  19          HG22      ILE  19 -11.056   2.454  15.397
  146   HG23  ILE  19          HG23      ILE  19 -11.670   3.028  16.946
  147   HD11  ILE  19          HD11      ILE  19  -9.811   3.255  14.272
  148   HD12  ILE  19          HD12      ILE  19  -8.063   3.292  14.503
  149   HD13  ILE  19          HD13      ILE  19  -8.931   4.773  14.100
  150    H    ALA  20           HN       ALA  20  -8.274   0.892  18.795
  151    HA   ALA  20           HA       ALA  20 -10.454  -0.789  19.443
  152    HB1  ALA  20           HB1      ALA  20  -8.404  -1.792  18.714
  153    HB2  ALA  20           HB2      ALA  20  -8.644  -2.287  20.390
  154    HB3  ALA  20           HB3      ALA  20  -7.492  -1.010  20.005
  155    HN1  NH2  21           H2       NH2  21  -9.043   0.686  23.011
  156    HN2  NH2  21           H1       NH2  21  -8.068   0.806  21.627
  Start of MODEL   29
    1    H1   ACE   0           HA2      ACE   0   0.545  -9.360   2.260
    2    H2   ACE   0           HA3      ACE   0   0.450  -9.177   0.509
    3    H3   ACE   0           HA1      ACE   0  -0.487  -8.114   1.560
    4    H    LEU   1           HN       LEU   1   2.365  -8.443  -0.189
    5    HA   LEU   1           HA       LEU   1   4.215  -6.970   1.352
    6    HB2  LEU   1           HB2      LEU   1   3.940  -7.325  -1.636
    7    HB3  LEU   1           HB1      LEU   1   5.309  -6.520  -0.874
    8    HG   LEU   1           HG       LEU   1   4.428  -9.341  -0.203
    9   HD11  LEU   1          HD11      LEU   1   6.475  -8.308  -2.175
   10   HD12  LEU   1          HD12      LEU   1   5.135  -9.414  -2.479
   11   HD13  LEU   1          HD13      LEU   1   6.523  -9.950  -1.534
   12   HD21  LEU   1          HD21      LEU   1   5.737  -8.681   1.610
   13   HD22  LEU   1          HD22      LEU   1   6.702  -7.559   0.652
   14   HD23  LEU   1          HD23      LEU   1   6.989  -9.293   0.536
   15    H    GLY   2           HN       GLY   2   1.781  -5.961  -1.019
   16    HA2  GLY   2           HA2      GLY   2   2.492  -3.215  -1.068
   17    HA3  GLY   2           HA1      GLY   2   0.939  -3.891  -1.558
   18    H    LEU   3           HN       LEU   3   0.179  -5.110   0.806
   19    HA   LEU   3           HA       LEU   3  -0.964  -2.942   2.185
   20    HB2  LEU   3           HB2      LEU   3  -0.758  -5.863   2.912
   21    HB3  LEU   3           HB1      LEU   3  -1.716  -4.691   3.817
   22    HG   LEU   3           HG       LEU   3  -2.058  -5.278   0.859
   23   HD11  LEU   3          HD11      LEU   3  -4.029  -6.537   1.475
   24   HD12  LEU   3          HD12      LEU   3  -3.824  -6.113   3.175
   25   HD13  LEU   3          HD13      LEU   3  -2.661  -7.179   2.384
   26   HD21  LEU   3          HD21      LEU   3  -3.349  -3.364   2.788
   27   HD22  LEU   3          HD22      LEU   3  -4.370  -4.108   1.557
   28   HD23  LEU   3          HD23      LEU   3  -2.972  -3.153   1.078
   29    H    LEU   4           HN       LEU   4   1.793  -5.028   2.897
   30    HA   LEU   4           HA       LEU   4   2.282  -4.107   5.519
   31    HB2  LEU   4           HB2      LEU   4   3.312  -6.095   4.115
   32    HB3  LEU   4           HB1      LEU   4   4.522  -4.901   3.674
   33    HG   LEU   4           HG       LEU   4   5.371  -6.060   5.589
   34   HD11  LEU   4          HD11      LEU   4   4.203  -3.535   6.755
   35   HD12  LEU   4          HD12      LEU   4   5.502  -3.510   5.559
   36   HD13  LEU   4          HD13      LEU   4   5.752  -4.290   7.118
   37   HD21  LEU   4          HD21      LEU   4   2.912  -6.767   6.275
   38   HD22  LEU   4          HD22      LEU   4   3.005  -5.345   7.312
   39   HD23  LEU   4          HD23      LEU   4   4.173  -6.649   7.496
   40    H    SER   5           HN       SER   5   3.668  -3.065   2.395
   41    HA   SER   5           HA       SER   5   5.239  -0.958   3.464
   42    HB2  SER   5           HB2      SER   5   5.624  -1.905   1.223
   43    HB3  SER   5           HB1      SER   5   4.075  -1.263   0.685
   44    HG   SER   5           HG       SER   5   5.095   0.809   1.607
   45    H    TYR   6           HN       TYR   6   2.012  -1.050   2.024
   46    HA   TYR   6           HA       TYR   6   1.450   1.709   2.149
   47    HB2  TYR   6           HB2      TYR   6   0.119   0.277   0.765
   48    HB3  TYR   6           HB1      TYR   6  -0.321  -0.732   2.135
   49    HD1  TYR   6           HD1      TYR   6  -0.487   2.853   1.036
   50    HD2  TYR   6           HD2      TYR   6  -2.376  -0.352   3.179
   51    HE1  TYR   6           HE1      TYR   6  -2.471   4.287   1.437
   52    HE2  TYR   6           HE2      TYR   6  -4.355   1.076   3.581
   53    HH   TYR   6           HH       TYR   6  -4.563   3.949   3.644
   54    H    GLY   7           HN       GLY   7   0.768  -0.931   4.430
   55    HA2  GLY   7           HA2      GLY   7  -0.157   1.022   6.446
   56    HA3  GLY   7           HA1      GLY   7  -0.417  -0.719   6.495
   57    H    ALA   8           HN       ALA   8   2.682   0.702   5.687
   58    HA   ALA   8           HA       ALA   8   4.095  -0.828   7.592
   59    HB1  ALA   8           HB1      ALA   8   4.959   0.329   5.444
   60    HB2  ALA   8           HB2      ALA   8   6.025   0.289   6.846
   61    HB3  ALA   8           HB3      ALA   8   5.137   1.762   6.457
   62    H    GLY   9           HN       GLY   9   2.820   2.454   7.652
   63    HA2  GLY   9           HA2      GLY   9   3.001   2.500  10.562
   64    HA3  GLY   9           HA1      GLY   9   3.947   3.727   9.721
   65    H    VAL  10           HN       VAL  10   2.907   5.402   8.649
   66    HA   VAL  10           HA       VAL  10   1.269   6.945   8.245
   67    HB   VAL  10           HB       VAL  10  -0.813   4.780   8.444
   68   HG11  VAL  10          HG11      VAL  10  -0.432   6.997   6.411
   69   HG12  VAL  10          HG12      VAL  10  -1.347   7.214   7.903
   70   HG13  VAL  10          HG13      VAL  10  -1.885   6.041   6.703
   71   HG21  VAL  10          HG21      VAL  10   0.795   3.605   7.175
   72   HG22  VAL  10          HG22      VAL  10   1.390   5.070   6.396
   73   HG23  VAL  10          HG23      VAL  10  -0.175   4.399   5.938
   74    H    ALA  11           HN       ALA  11   1.444   5.188  11.068
   75    HA   ALA  11           HA       ALA  11   0.484   5.380  13.166
   76    HB1  ALA  11           HB1      ALA  11   0.460   7.713  13.977
   77    HB2  ALA  11           HB2      ALA  11   0.633   8.282  12.317
   78    HB3  ALA  11           HB3      ALA  11   1.929   7.351  13.070
   79    H    SER  12           HN       SER  12  -1.385   5.352  10.721
   80    HA   SER  12           HA       SER  12  -3.810   6.357  12.112
   81    HB2  SER  12           HB2      SER  12  -3.283   6.224   9.131
   82    HB3  SER  12           HB1      SER  12  -4.784   6.747   9.890
   83    HG   SER  12           HG       SER  12  -3.822   8.546  10.587
   84    H    LEU  13           HN       LEU  13  -2.296   3.660  11.850
   85    HA   LEU  13           HA       LEU  13  -4.717   2.066  11.539
   86    HB2  LEU  13           HB2      LEU  13  -2.910   2.297   9.387
   87    HB3  LEU  13           HB1      LEU  13  -2.520   0.744  10.115
   88    HG   LEU  13           HG       LEU  13  -5.059   0.272  10.073
   89   HD11  LEU  13          HD11      LEU  13  -4.888   2.710   8.288
   90   HD12  LEU  13          HD12      LEU  13  -6.000   2.411   9.623
   91   HD13  LEU  13          HD13      LEU  13  -6.170   1.514   8.118
   92   HD21  LEU  13          HD21      LEU  13  -3.369  -0.761   8.550
   93   HD22  LEU  13          HD22      LEU  13  -3.612   0.573   7.423
   94   HD23  LEU  13          HD23      LEU  13  -4.934  -0.539   7.771
   95    HA   PRO  14           HA       PRO  14  -1.237  -0.562  13.634
   96    HB2  PRO  14           HB2      PRO  14   0.789   1.498  14.364
   97    HB3  PRO  14           HB1      PRO  14   1.027  -0.115  13.659
   98    HG2  PRO  14           HG2      PRO  14   1.385   2.083  12.203
   99    HG3  PRO  14           HG1      PRO  14   0.645   0.630  11.498
  100    HD2  PRO  14           HD2      PRO  14  -0.703   3.132  12.493
  101    HD3  PRO  14           HD1      PRO  14  -1.002   2.220  10.995
  102    H    LEU  15           HN       LEU  15  -0.954   2.763  14.926
  103    HA   LEU  15           HA       LEU  15  -1.281   2.025  17.631
  104    HB2  LEU  15           HB2      LEU  15  -1.668   4.657  16.203
  105    HB3  LEU  15           HB1      LEU  15  -1.784   4.485  17.953
  106    HG   LEU  15           HG       LEU  15   0.640   3.646  16.332
  107   HD11  LEU  15          HD11      LEU  15   1.690   5.721  17.101
  108   HD12  LEU  15          HD12      LEU  15   0.208   6.177  17.944
  109   HD13  LEU  15          HD13      LEU  15   0.229   6.090  16.182
  110   HD21  LEU  15          HD21      LEU  15   1.627   4.018  18.780
  111   HD22  LEU  15          HD22      LEU  15   0.843   2.500  18.360
  112   HD23  LEU  15          HD23      LEU  15  -0.044   3.725  19.267
  113    H    LEU  16           HN       LEU  16  -3.584   3.147  15.192
  114    HA   LEU  16           HA       LEU  16  -5.813   3.400  16.900
  115    HB2  LEU  16           HB2      LEU  16  -5.479   2.989  13.936
  116    HB3  LEU  16           HB1      LEU  16  -7.088   2.941  14.654
  117    HG   LEU  16           HG       LEU  16  -6.658   5.187  15.664
  118   HD11  LEU  16          HD11      LEU  16  -4.715   6.464  14.622
  119   HD12  LEU  16          HD12      LEU  16  -4.098   4.906  14.074
  120   HD13  LEU  16          HD13      LEU  16  -4.264   5.233  15.799
  121   HD21  LEU  16          HD21      LEU  16  -7.742   4.799  13.382
  122   HD22  LEU  16          HD22      LEU  16  -6.184   5.219  12.675
  123   HD23  LEU  16          HD23      LEU  16  -7.061   6.405  13.641
  124    H    ASN  17           HN       ASN  17  -4.561   0.645  15.052
  125    HA   ASN  17           HA       ASN  17  -6.705  -1.116  15.549
  126    HB2  ASN  17           HB2      ASN  17  -4.963  -1.519  13.846
  127    HB3  ASN  17           HB1      ASN  17  -3.785  -1.782  15.131
  128   HD21  ASN  17          HD21      ASN  17  -3.446  -4.045  14.667
  129   HD22  ASN  17          HD22      ASN  17  -4.662  -5.206  14.903
  130    H    VAL  18           HN       VAL  18  -3.689  -0.525  17.350
  131    HA   VAL  18           HA       VAL  18  -4.103  -2.549  19.293
  132    HB   VAL  18           HB       VAL  18  -2.526   0.034  19.419
  133   HG11  VAL  18          HG11      VAL  18  -2.937  -0.588  21.684
  134   HG12  VAL  18          HG12      VAL  18  -1.334  -1.221  21.306
  135   HG13  VAL  18          HG13      VAL  18  -2.727  -2.303  21.328
  136   HG21  VAL  18          HG21      VAL  18  -0.618  -1.669  19.204
  137   HG22  VAL  18          HG22      VAL  18  -1.595  -1.408  17.761
  138   HG23  VAL  18          HG23      VAL  18  -1.854  -2.843  18.753
  139    H    ILE  19           HN       ILE  19  -4.823   0.934  19.294
  140    HA   ILE  19           HA       ILE  19  -5.998   0.995  21.876
  141    HB   ILE  19           HB       ILE  19  -6.359   2.799  19.472
  142   HG12  ILE  19          HG12      ILE  19  -4.073   2.773  20.361
  143   HG13  ILE  19          HG11      ILE  19  -4.847   4.309  20.724
  144   HG21  ILE  19          HG21      ILE  19  -7.382   3.014  22.304
  145   HG22  ILE  19          HG22      ILE  19  -8.281   3.184  20.797
  146   HG23  ILE  19          HG23      ILE  19  -7.147   4.439  21.293
  147   HD11  ILE  19          HD11      ILE  19  -5.482   3.047  22.999
  148   HD12  ILE  19          HD12      ILE  19  -3.922   3.835  22.790
  149   HD13  ILE  19          HD13      ILE  19  -4.061   2.092  22.575
  150    H    ALA  20           HN       ALA  20  -7.331   0.604  18.623
  151    HA   ALA  20           HA       ALA  20 -10.051   0.395  19.558
  152    HB1  ALA  20           HB1      ALA  20 -10.638   0.103  17.288
  153    HB2  ALA  20           HB2      ALA  20  -9.037  -0.503  16.864
  154    HB3  ALA  20           HB3      ALA  20  -9.259   1.203  17.250
  155    HN1  NH2  21           H2       NH2  21  -8.329  -3.251  19.531
  156    HN2  NH2  21           H1       NH2  21  -7.417  -1.830  19.342
  Start of MODEL   30
    1    H1   ACE   0           HA2      ACE   0   8.243  -5.395   1.026
    2    H2   ACE   0           HA3      ACE   0   6.930  -6.176   1.907
    3    H3   ACE   0           HA1      ACE   0   6.960  -4.419   1.742
    4    H    LEU   1           HN       LEU   1   7.194  -3.763  -0.720
    5    HA   LEU   1           HA       LEU   1   5.961  -3.518  -2.655
    6    HB2  LEU   1           HB2      LEU   1   6.479  -6.494  -2.615
    7    HB3  LEU   1           HB1      LEU   1   5.846  -5.634  -4.014
    8    HG   LEU   1           HG       LEU   1   8.441  -4.880  -2.641
    9   HD11  LEU   1          HD11      LEU   1   8.569  -7.190  -3.513
   10   HD12  LEU   1          HD12      LEU   1   9.583  -6.095  -4.452
   11   HD13  LEU   1          HD13      LEU   1   8.026  -6.621  -5.092
   12   HD21  LEU   1          HD21      LEU   1   8.788  -3.951  -5.084
   13   HD22  LEU   1          HD22      LEU   1   7.794  -3.039  -3.953
   14   HD23  LEU   1          HD23      LEU   1   7.030  -4.048  -5.179
   15    H    GLY   2           HN       GLY   2   4.233  -3.303  -0.643
   16    HA2  GLY   2           HA2      GLY   2   1.739  -3.587  -1.503
   17    HA3  GLY   2           HA1      GLY   2   2.054  -5.236  -0.969
   18    H    LEU   3           HN       LEU   3   2.928  -5.432   1.284
   19    HA   LEU   3           HA       LEU   3   1.107  -4.287   3.103
   20    HB2  LEU   3           HB2      LEU   3   3.706  -5.763   3.533
   21    HB3  LEU   3           HB1      LEU   3   2.627  -5.294   4.845
   22    HG   LEU   3           HG       LEU   3   1.797  -6.994   2.474
   23   HD11  LEU   3          HD11      LEU   3   3.369  -8.278   3.734
   24   HD12  LEU   3          HD12      LEU   3   1.771  -8.832   4.236
   25   HD13  LEU   3          HD13      LEU   3   2.689  -7.733   5.267
   26   HD21  LEU   3          HD21      LEU   3   0.380  -5.897   4.886
   27   HD22  LEU   3          HD22      LEU   3  -0.042  -7.529   4.372
   28   HD23  LEU   3          HD23      LEU   3  -0.227  -6.181   3.255
   29    H    LEU   4           HN       LEU   4   4.472  -3.470   2.320
   30    HA   LEU   4           HA       LEU   4   4.869  -1.647   4.424
   31    HB2  LEU   4           HB2      LEU   4   6.728  -2.477   3.076
   32    HB3  LEU   4           HB1      LEU   4   6.076  -1.683   1.645
   33    HG   LEU   4           HG       LEU   4   6.408   0.517   2.667
   34   HD11  LEU   4          HD11      LEU   4   7.134  -1.144   5.077
   35   HD12  LEU   4          HD12      LEU   4   6.070   0.260   4.977
   36   HD13  LEU   4          HD13      LEU   4   7.816   0.472   4.881
   37   HD21  LEU   4          HD21      LEU   4   8.795   0.576   2.566
   38   HD22  LEU   4          HD22      LEU   4   8.299  -0.730   1.489
   39   HD23  LEU   4          HD23      LEU   4   8.929  -1.101   3.095
   40    H    SER   5           HN       SER   5   3.736  -1.088   1.082
   41    HA   SER   5           HA       SER   5   3.370   1.714   1.399
   42    HB2  SER   5           HB2      SER   5   3.533   0.633  -0.812
   43    HB3  SER   5           HB1      SER   5   2.007  -0.196  -0.518
   44    HG   SER   5           HG       SER   5   2.435   2.281  -1.428
   45    H    TYR   6           HN       TYR   6   1.188  -1.054   1.645
   46    HA   TYR   6           HA       TYR   6  -1.181   0.376   2.200
   47    HB2  TYR   6           HB2      TYR   6  -1.315  -1.906   1.487
   48    HB3  TYR   6           HB1      TYR   6  -0.309  -2.449   2.825
   49    HD1  TYR   6           HD2      TYR   6  -3.525  -0.641   2.146
   50    HD2  TYR   6           HD1      TYR   6  -1.333  -3.223   4.786
   51    HE1  TYR   6           HE2      TYR   6  -5.553  -0.934   3.546
   52    HE2  TYR   6           HE1      TYR   6  -3.353  -3.518   6.183
   53    HH   TYR   6           HH       TYR   6  -6.316  -1.689   5.538
   54    H    GLY   7           HN       GLY   7   1.245  -1.085   4.333
   55    HA2  GLY   7           HA2      GLY   7  -0.100  -0.236   6.740
   56    HA3  GLY   7           HA1      GLY   7   1.479  -1.007   6.640
   57    H    ALA   8           HN       ALA   8   1.436   1.531   4.488
   58    HA   ALA   8           HA       ALA   8   3.346   3.051   5.887
   59    HB1  ALA   8           HB1      ALA   8   1.518   3.985   3.664
   60    HB2  ALA   8           HB2      ALA   8   3.028   3.108   3.420
   61    HB3  ALA   8           HB3      ALA   8   3.050   4.718   4.140
   62    H    GLY   9           HN       GLY   9  -0.159   3.403   5.560
   63    HA2  GLY   9           HA2      GLY   9  -0.130   5.661   7.480
   64    HA3  GLY   9           HA1      GLY   9  -1.439   5.283   6.364
   65    H    VAL  10           HN       VAL  10  -1.939   2.679   6.722
   66    HA   VAL  10           HA       VAL  10  -3.432   2.594   9.114
   67    HB   VAL  10           HB       VAL  10  -2.560   0.341   7.289
   68   HG11  VAL  10          HG11      VAL  10  -4.545   0.501   9.554
   69   HG12  VAL  10          HG12      VAL  10  -3.238  -0.661   9.333
   70   HG13  VAL  10          HG13      VAL  10  -4.664  -0.728   8.297
   71   HG21  VAL  10          HG21      VAL  10  -5.174   1.877   7.434
   72   HG22  VAL  10          HG22      VAL  10  -4.742   0.640   6.253
   73   HG23  VAL  10          HG23      VAL  10  -3.906   2.192   6.248
   74    H    ALA  11           HN       ALA  11  -0.353   1.079   8.204
   75    HA   ALA  11           HA       ALA  11   1.332   0.165   9.458
   76    HB1  ALA  11           HB1      ALA  11   0.172   1.713  11.779
   77    HB2  ALA  11           HB2      ALA  11   1.169   2.451  10.528
   78    HB3  ALA  11           HB3      ALA  11   1.840   1.187  11.558
   79    H    SER  12           HN       SER  12  -1.320  -1.143   9.300
   80    HA   SER  12           HA       SER  12  -2.214  -3.119  10.052
   81    HB2  SER  12           HB2      SER  12   0.448  -3.306  10.704
   82    HB3  SER  12           HB1      SER  12  -0.317  -3.580  12.263
   83    HG   SER  12           HG       SER  12  -0.021  -5.322  10.400
   84    H    LEU  13           HN       LEU  13  -2.749  -0.419  11.317
   85    HA   LEU  13           HA       LEU  13  -3.939   0.453  13.095
   86    HB2  LEU  13           HB2      LEU  13  -5.027  -2.256  12.514
   87    HB3  LEU  13           HB1      LEU  13  -5.544  -1.550  14.041
   88    HG   LEU  13           HG       LEU  13  -5.677   0.111  11.530
   89   HD11  LEU  13          HD11      LEU  13  -6.798  -2.024  10.975
   90   HD12  LEU  13          HD12      LEU  13  -7.962  -0.707  11.122
   91   HD13  LEU  13          HD13      LEU  13  -7.784  -1.878  12.429
   92   HD21  LEU  13          HD21      LEU  13  -7.579  -0.003  13.877
   93   HD22  LEU  13          HD22      LEU  13  -7.342   1.314  12.727
   94   HD23  LEU  13          HD23      LEU  13  -6.100   0.956  13.926
   95    HA   PRO  14           HA       PRO  14  -1.381  -1.533  16.389
   96    HB2  PRO  14           HB2      PRO  14   0.761   0.127  16.443
   97    HB3  PRO  14           HB1      PRO  14   0.619  -1.192  15.264
   98    HG2  PRO  14           HG2      PRO  14   0.375   1.718  14.843
   99    HG3  PRO  14           HG1      PRO  14   0.752   0.441  13.679
  100    HD2  PRO  14           HD2      PRO  14  -1.827   1.708  14.161
  101    HD3  PRO  14           HD1      PRO  14  -1.419   0.484  12.944
  102    H    LEU  15           HN       LEU  15  -0.534   1.886  16.382
  103    HA   LEU  15           HA       LEU  15  -1.216   2.315  19.084
  104    HB2  LEU  15           HB2      LEU  15  -0.748   4.252  16.810
  105    HB3  LEU  15           HB1      LEU  15  -0.939   4.743  18.491
  106    HG   LEU  15           HG       LEU  15   1.162   2.786  17.513
  107   HD11  LEU  15          HD11      LEU  15   1.383   5.737  18.178
  108   HD12  LEU  15          HD12      LEU  15   1.561   5.015  16.580
  109   HD13  LEU  15          HD13      LEU  15   2.746   4.671  17.841
  110   HD21  LEU  15          HD21      LEU  15   0.983   2.322  19.786
  111   HD22  LEU  15          HD22      LEU  15   0.432   3.947  20.194
  112   HD23  LEU  15          HD23      LEU  15   2.135   3.651  19.848
  113    H    LEU  16           HN       LEU  16  -2.936   2.968  16.071
  114    HA   LEU  16           HA       LEU  16  -5.066   4.463  17.134
  115    HB2  LEU  16           HB2      LEU  16  -4.766   2.704  14.710
  116    HB3  LEU  16           HB1      LEU  16  -6.294   3.502  15.065
  117    HG   LEU  16           HG       LEU  16  -3.686   5.035  14.944
  118   HD11  LEU  16          HD11      LEU  16  -4.366   5.629  12.600
  119   HD12  LEU  16          HD12      LEU  16  -5.613   4.386  12.696
  120   HD13  LEU  16          HD13      LEU  16  -3.911   3.937  12.794
  121   HD21  LEU  16          HD21      LEU  16  -5.397   6.858  14.246
  122   HD22  LEU  16          HD22      LEU  16  -5.393   6.370  15.934
  123   HD23  LEU  16          HD23      LEU  16  -6.631   5.752  14.842
  124    H    ASN  17           HN       ASN  17  -4.630   0.983  16.688
  125    HA   ASN  17           HA       ASN  17  -7.212   0.172  17.476
  126    HB2  ASN  17           HB2      ASN  17  -5.598  -1.328  16.370
  127    HB3  ASN  17           HB1      ASN  17  -4.594  -1.304  17.819
  128   HD21  ASN  17          HD21      ASN  17  -4.875  -3.486  18.495
  129   HD22  ASN  17          HD22      ASN  17  -6.384  -4.139  18.916
  130    H    VAL  18           HN       VAL  18  -4.253   0.757  19.336
  131    HA   VAL  18           HA       VAL  18  -5.229  -0.136  21.839
  132    HB   VAL  18           HB       VAL  18  -3.099   1.907  21.158
  133   HG11  VAL  18          HG11      VAL  18  -2.325   1.320  23.529
  134   HG12  VAL  18          HG12      VAL  18  -3.932   0.637  23.774
  135   HG13  VAL  18          HG13      VAL  18  -3.749   2.353  23.411
  136   HG21  VAL  18          HG21      VAL  18  -2.861  -0.977  22.069
  137   HG22  VAL  18          HG22      VAL  18  -1.556   0.076  21.521
  138   HG23  VAL  18          HG23      VAL  18  -2.782  -0.476  20.380
  139    H    ILE  19           HN       ILE  19  -5.138   3.068  20.316
  140    HA   ILE  19           HA       ILE  19  -6.340   4.489  22.448
  141    HB   ILE  19           HB       ILE  19  -6.239   5.041  19.472
  142   HG12  ILE  19          HG12      ILE  19  -4.721   6.324  21.757
  143   HG13  ILE  19          HG11      ILE  19  -4.095   4.957  20.836
  144   HG21  ILE  19          HG21      ILE  19  -7.235   6.715  21.789
  145   HG22  ILE  19          HG22      ILE  19  -8.099   6.297  20.310
  146   HG23  ILE  19          HG23      ILE  19  -6.740   7.420  20.252
  147   HD11  ILE  19          HD11      ILE  19  -4.074   6.214  18.802
  148   HD12  ILE  19          HD12      ILE  19  -3.360   7.264  20.026
  149   HD13  ILE  19          HD13      ILE  19  -5.030   7.513  19.515
  150    H    ALA  20           HN       ALA  20  -7.649   2.918  19.557
  151    HA   ALA  20           HA       ALA  20 -10.356   3.675  20.000
  152    HB1  ALA  20           HB1      ALA  20  -9.202   1.351  18.439
  153    HB2  ALA  20           HB2      ALA  20  -9.583   2.951  17.800
  154    HB3  ALA  20           HB3      ALA  20 -10.878   1.894  18.361
  155    HN1  NH2  21           H2       NH2  21  -9.880  -0.034  21.720
  156    HN2  NH2  21           H1       NH2  21  -8.818   0.441  20.484
  Start of MODEL   31
    1    H1   ACE   0           HA2      ACE   0  -1.584  -6.847  -0.439
    2    H2   ACE   0           HA3      ACE   0  -2.176  -6.895  -2.099
    3    H3   ACE   0           HA1      ACE   0  -1.832  -5.345  -1.330
    4    H    LEU   1           HN       LEU   1   0.423  -7.654  -0.412
    5    HA   LEU   1           HA       LEU   1   2.723  -7.648  -0.731
    6    HB2  LEU   1           HB2      LEU   1   1.638  -8.139  -3.509
    7    HB3  LEU   1           HB1      LEU   1   3.312  -8.419  -3.037
    8    HG   LEU   1           HG       LEU   1   0.942  -9.695  -1.646
    9   HD11  LEU   1          HD11      LEU   1   2.639 -10.635  -3.964
   10   HD12  LEU   1          HD12      LEU   1   0.880 -10.601  -3.835
   11   HD13  LEU   1          HD13      LEU   1   1.810 -11.778  -2.907
   12   HD21  LEU   1          HD21      LEU   1   3.940  -9.942  -1.416
   13   HD22  LEU   1          HD22      LEU   1   2.933 -11.347  -1.069
   14   HD23  LEU   1          HD23      LEU   1   2.724  -9.868  -0.142
   15    H    GLY   2           HN       GLY   2   1.449  -4.985  -0.938
   16    HA2  GLY   2           HA2      GLY   2   3.713  -3.576  -2.027
   17    HA3  GLY   2           HA1      GLY   2   2.249  -3.356  -2.980
   18    H    LEU   3           HN       LEU   3   0.449  -3.521  -0.703
   19    HA   LEU   3           HA       LEU   3   0.653  -0.766   0.185
   20    HB2  LEU   3           HB2      LEU   3  -1.397  -2.899   0.828
   21    HB3  LEU   3           HB1      LEU   3  -1.544  -1.183   1.202
   22    HG   LEU   3           HG       LEU   3  -1.255  -2.328  -1.592
   23   HD11  LEU   3          HD11      LEU   3  -3.680  -1.179  -0.176
   24   HD12  LEU   3          HD12      LEU   3  -3.422  -2.888  -0.524
   25   HD13  LEU   3          HD13      LEU   3  -3.630  -1.741  -1.847
   26   HD21  LEU   3          HD21      LEU   3  -2.144   0.111  -2.069
   27   HD22  LEU   3          HD22      LEU   3  -0.432  -0.135  -1.748
   28   HD23  LEU   3          HD23      LEU   3  -1.490   0.464  -0.470
   29    H    LEU   4           HN       LEU   4   1.780  -3.737   1.278
   30    HA   LEU   4           HA       LEU   4   1.443  -3.511   4.072
   31    HB2  LEU   4           HB2      LEU   4   3.386  -4.974   2.300
   32    HB3  LEU   4           HB1      LEU   4   3.605  -4.988   4.047
   33    HG   LEU   4           HG       LEU   4   2.269  -6.933   3.122
   34   HD11  LEU   4          HD11      LEU   4   0.946  -7.072   5.014
   35   HD12  LEU   4          HD12      LEU   4   0.415  -5.396   4.919
   36   HD13  LEU   4          HD13      LEU   4   2.028  -5.779   5.519
   37   HD21  LEU   4          HD21      LEU   4   0.048  -6.576   2.298
   38   HD22  LEU   4          HD22      LEU   4   1.083  -5.451   1.420
   39   HD23  LEU   4          HD23      LEU   4   0.081  -4.872   2.749
   40    H    SER   5           HN       SER   5   4.008  -2.357   1.900
   41    HA   SER   5           HA       SER   5   5.767  -1.419   3.884
   42    HB2  SER   5           HB2      SER   5   5.302  -0.505   1.043
   43    HB3  SER   5           HB1      SER   5   6.607   0.107   2.055
   44    HG   SER   5           HG       SER   5   7.024  -2.283   2.369
   45    H    TYR   6           HN       TYR   6   3.135   0.239   2.151
   46    HA   TYR   6           HA       TYR   6   3.497   2.751   3.422
   47    HB2  TYR   6           HB2      TYR   6   1.093   1.495   2.083
   48    HB3  TYR   6           HB1      TYR   6   1.120   3.157   2.676
   49    HD1  TYR   6           HD1      TYR   6   2.655   4.829   1.679
   50    HD2  TYR   6           HD2      TYR   6   2.341   0.846   0.113
   51    HE1  TYR   6           HE1      TYR   6   3.799   5.554  -0.402
   52    HE2  TYR   6           HE2      TYR   6   3.483   1.566  -1.964
   53    HH   TYR   6           HH       TYR   6   4.549   4.944  -2.395
   54    H    GLY   7           HN       GLY   7   1.455  -0.051   4.144
   55    HA2  GLY   7           HA2      GLY   7   0.557   1.189   6.666
   56    HA3  GLY   7           HA1      GLY   7  -0.124  -0.252   5.915
   57    H    ALA   8           HN       ALA   8   3.316   0.264   6.245
   58    HA   ALA   8           HA       ALA   8   3.809  -2.242   7.420
   59    HB1  ALA   8           HB1      ALA   8   5.626  -1.223   6.305
   60    HB2  ALA   8           HB2      ALA   8   6.066  -1.152   8.011
   61    HB3  ALA   8           HB3      ALA   8   5.439   0.284   7.201
   62    H    GLY   9           HN       GLY   9   3.302   0.954   8.847
   63    HA2  GLY   9           HA2      GLY   9   2.246   0.111  11.247
   64    HA3  GLY   9           HA1      GLY   9   3.984   0.155  11.513
   65    H    VAL  10           HN       VAL  10   2.316   2.357   9.337
   66    HA   VAL  10           HA       VAL  10   3.270   4.628  10.920
   67    HB   VAL  10           HB       VAL  10   1.876   4.495   8.234
   68   HG11  VAL  10          HG11      VAL  10   3.040   6.775   9.847
   69   HG12  VAL  10          HG12      VAL  10   1.415   6.640   9.173
   70   HG13  VAL  10          HG13      VAL  10   2.794   6.882   8.103
   71   HG21  VAL  10          HG21      VAL  10   4.773   4.872   9.053
   72   HG22  VAL  10          HG22      VAL  10   4.171   5.137   7.417
   73   HG23  VAL  10          HG23      VAL  10   4.100   3.527   8.130
   74    H    ALA  11           HN       ALA  11   0.260   4.297   9.094
   75    HA   ALA  11           HA       ALA  11  -1.238   5.433  11.377
   76    HB1  ALA  11           HB1      ALA  11  -2.023   5.133   8.467
   77    HB2  ALA  11           HB2      ALA  11  -1.435   6.615   9.224
   78    HB3  ALA  11           HB3      ALA  11  -2.980   5.924   9.721
   79    H    SER  12           HN       SER  12  -0.544   2.518   9.900
   80    HA   SER  12           HA       SER  12  -3.134   1.260  10.297
   81    HB2  SER  12           HB2      SER  12  -0.449   0.210   9.399
   82    HB3  SER  12           HB1      SER  12  -1.875  -0.806   9.595
   83    HG   SER  12           HG       SER  12  -2.268  -0.170   7.623
   84    H    LEU  13           HN       LEU  13  -1.043   2.292  12.493
   85    HA   LEU  13           HA       LEU  13  -1.488  -0.043  14.250
   86    HB2  LEU  13           HB2      LEU  13   1.049   1.030  13.390
   87    HB3  LEU  13           HB1      LEU  13   0.900   1.274  15.127
   88    HG   LEU  13           HG       LEU  13   1.966  -0.874  14.653
   89   HD11  LEU  13          HD11      LEU  13   0.847  -2.045  16.273
   90   HD12  LEU  13          HD12      LEU  13  -0.736  -1.792  15.545
   91   HD13  LEU  13          HD13      LEU  13   0.022  -0.504  16.480
   92   HD21  LEU  13          HD21      LEU  13   0.550  -1.043  12.396
   93   HD22  LEU  13          HD22      LEU  13  -0.535  -1.987  13.416
   94   HD23  LEU  13          HD23      LEU  13   1.140  -2.488  13.212
   95    HA   PRO  14           HA       PRO  14  -1.305   3.923  17.072
   96    HB2  PRO  14           HB2      PRO  14  -1.941   6.010  15.019
   97    HB3  PRO  14           HB1      PRO  14  -0.869   6.107  16.431
   98    HG2  PRO  14           HG2      PRO  14   0.131   5.905  13.985
   99    HG3  PRO  14           HG1      PRO  14   0.871   5.036  15.345
  100    HD2  PRO  14           HD2      PRO  14  -0.907   3.966  13.170
  101    HD3  PRO  14           HD1      PRO  14   0.524   3.229  13.919
  102    H    LEU  15           HN       LEU  15  -3.404   4.286  14.201
  103    HA   LEU  15           HA       LEU  15  -5.718   5.078  15.621
  104    HB2  LEU  15           HB2      LEU  15  -5.375   3.769  12.917
  105    HB3  LEU  15           HB1      LEU  15  -6.918   4.363  13.521
  106    HG   LEU  15           HG       LEU  15  -4.436   6.089  13.300
  107   HD11  LEU  15          HD11      LEU  15  -6.713   5.646  11.356
  108   HD12  LEU  15          HD12      LEU  15  -4.985   5.435  11.062
  109   HD13  LEU  15          HD13      LEU  15  -5.650   7.053  11.287
  110   HD21  LEU  15          HD21      LEU  15  -7.326   6.577  14.020
  111   HD22  LEU  15          HD22      LEU  15  -6.410   7.860  13.234
  112   HD23  LEU  15          HD23      LEU  15  -5.866   7.211  14.777
  113    H    LEU  16           HN       LEU  16  -4.588   1.916  14.493
  114    HA   LEU  16           HA       LEU  16  -6.863   0.462  15.376
  115    HB2  LEU  16           HB2      LEU  16  -4.056  -0.618  15.075
  116    HB3  LEU  16           HB1      LEU  16  -5.570  -1.511  14.953
  117    HG   LEU  16           HG       LEU  16  -4.490   0.567  13.035
  118   HD11  LEU  16          HD11      LEU  16  -5.468  -2.221  12.418
  119   HD12  LEU  16          HD12      LEU  16  -3.818  -1.937  12.965
  120   HD13  LEU  16          HD13      LEU  16  -4.389  -1.197  11.470
  121   HD21  LEU  16          HD21      LEU  16  -6.799   1.103  13.132
  122   HD22  LEU  16          HD22      LEU  16  -7.270  -0.589  13.306
  123   HD23  LEU  16          HD23      LEU  16  -6.668   0.006  11.759
  124    H    ASN  17           HN       ASN  17  -3.811   1.364  16.887
  125    HA   ASN  17           HA       ASN  17  -3.990  -0.259  19.175
  126    HB2  ASN  17           HB2      ASN  17  -2.672   2.415  18.696
  127    HB3  ASN  17           HB1      ASN  17  -2.513   1.529  20.212
  128   HD21  ASN  17          HD21      ASN  17  -0.241   2.044  18.540
  129   HD22  ASN  17          HD22      ASN  17   0.302   0.566  17.912
  130    H    VAL  18           HN       VAL  18  -5.236   2.996  18.511
  131    HA   VAL  18           HA       VAL  18  -6.224   3.508  21.119
  132    HB   VAL  18           HB       VAL  18  -7.103   4.580  18.426
  133   HG11  VAL  18          HG11      VAL  18  -8.925   4.916  19.963
  134   HG12  VAL  18          HG12      VAL  18  -8.057   6.447  19.861
  135   HG13  VAL  18          HG13      VAL  18  -7.822   5.392  21.254
  136   HG21  VAL  18          HG21      VAL  18  -5.448   5.897  20.594
  137   HG22  VAL  18          HG22      VAL  18  -5.686   6.450  18.937
  138   HG23  VAL  18          HG23      VAL  18  -4.726   5.005  19.256
  139    H    ILE  19           HN       ILE  19  -7.709   2.139  18.207
  140    HA   ILE  19           HA       ILE  19 -10.307   1.780  19.270
  141    HB   ILE  19           HB       ILE  19  -8.824   0.327  17.063
  142   HG12  ILE  19          HG12      ILE  19 -11.024   2.403  16.909
  143   HG13  ILE  19          HG11      ILE  19  -9.309   2.813  16.853
  144   HG21  ILE  19          HG21      ILE  19 -11.724   0.218  17.935
  145   HG22  ILE  19          HG22      ILE  19 -10.598  -1.132  17.797
  146   HG23  ILE  19          HG23      ILE  19 -11.174  -0.312  16.347
  147   HD11  ILE  19          HD11      ILE  19 -10.346   2.553  14.579
  148   HD12  ILE  19          HD12      ILE  19 -10.646   0.859  14.963
  149   HD13  ILE  19          HD13      ILE  19  -8.992   1.460  14.864
  150    H    ALA  20           HN       ALA  20  -7.459  -0.314  19.104
  151    HA   ALA  20           HA       ALA  20  -8.790  -2.457  20.567
  152    HB1  ALA  20           HB1      ALA  20  -7.231  -3.081  18.813
  153    HB2  ALA  20           HB2      ALA  20  -6.574  -3.583  20.371
  154    HB3  ALA  20           HB3      ALA  20  -5.947  -2.140  19.573
  155    HN1  NH2  21           H2       NH2  21  -6.839  -0.027  23.055
  156    HN2  NH2  21           H1       NH2  21  -7.344   0.432  21.501
  Start of MODEL   32
    1    H1   ACE   0           HA2      ACE   0   3.809  -7.989  -0.038
    2    H2   ACE   0           HA3      ACE   0   4.785  -6.592  -0.489
    3    H3   ACE   0           HA1      ACE   0   5.038  -8.141  -1.293
    4    H    LEU   1           HN       LEU   1   2.063  -6.365  -0.493
    5    HA   LEU   1           HA       LEU   1   1.043  -6.797  -3.187
    6    HB2  LEU   1           HB2      LEU   1  -0.150  -5.524  -0.721
    7    HB3  LEU   1           HB1      LEU   1  -1.011  -5.706  -2.246
    8    HG   LEU   1           HG       LEU   1   0.231  -8.032  -0.748
    9   HD11  LEU   1          HD11      LEU   1  -2.687  -7.211  -0.767
   10   HD12  LEU   1          HD12      LEU   1  -1.582  -6.846   0.558
   11   HD13  LEU   1          HD13      LEU   1  -1.954  -8.522   0.157
   12   HD21  LEU   1          HD21      LEU   1  -1.579  -7.754  -3.152
   13   HD22  LEU   1          HD22      LEU   1  -1.622  -9.221  -2.179
   14   HD23  LEU   1          HD23      LEU   1  -0.128  -8.737  -2.970
   15    H    GLY   2           HN       GLY   2   2.988  -4.538  -1.747
   16    HA2  GLY   2           HA2      GLY   2   3.865  -2.690  -3.009
   17    HA3  GLY   2           HA1      GLY   2   2.288  -2.494  -3.768
   18    H    LEU   3           HN       LEU   3   1.013  -2.938  -1.072
   19    HA   LEU   3           HA       LEU   3   1.129  -0.143  -0.196
   20    HB2  LEU   3           HB2      LEU   3  -0.710  -2.432   0.543
   21    HB3  LEU   3           HB1      LEU   3  -0.844  -0.798   1.190
   22    HG   LEU   3           HG       LEU   3  -0.928  -1.464  -1.768
   23   HD11  LEU   3          HD11      LEU   3  -2.844  -2.448  -0.536
   24   HD12  LEU   3          HD12      LEU   3  -3.354  -1.140  -1.605
   25   HD13  LEU   3          HD13      LEU   3  -3.216  -0.858   0.130
   26   HD21  LEU   3          HD21      LEU   3  -2.125   0.909  -1.635
   27   HD22  LEU   3          HD22      LEU   3  -0.369   0.802  -1.679
   28   HD23  LEU   3          HD23      LEU   3  -1.197   1.062  -0.144
   29    H    LEU   4           HN       LEU   4   2.722  -2.960   0.541
   30    HA   LEU   4           HA       LEU   4   2.712  -2.982   3.360
   31    HB2  LEU   4           HB2      LEU   4   3.586  -4.864   2.076
   32    HB3  LEU   4           HB1      LEU   4   4.861  -3.849   1.406
   33    HG   LEU   4           HG       LEU   4   5.839  -3.553   3.633
   34   HD11  LEU   4          HD11      LEU   4   4.811  -5.115   5.472
   35   HD12  LEU   4          HD12      LEU   4   3.348  -5.017   4.493
   36   HD13  LEU   4          HD13      LEU   4   4.061  -3.553   5.166
   37   HD21  LEU   4          HD21      LEU   4   5.190  -6.423   2.903
   38   HD22  LEU   4          HD22      LEU   4   6.414  -5.966   4.088
   39   HD23  LEU   4          HD23      LEU   4   6.600  -5.492   2.400
   40    H    SER   5           HN       SER   5   4.822  -1.353   1.017
   41    HA   SER   5           HA       SER   5   6.446  -0.098   3.022
   42    HB2  SER   5           HB2      SER   5   7.290  -0.512   0.741
   43    HB3  SER   5           HB1      SER   5   6.086   0.602   0.097
   44    HG   SER   5           HG       SER   5   7.975   1.739   0.398
   45    H    TYR   6           HN       TYR   6   3.547   0.715   1.252
   46    HA   TYR   6           HA       TYR   6   3.423   3.470   1.703
   47    HB2  TYR   6           HB2      TYR   6   1.906   2.272   0.187
   48    HB3  TYR   6           HB1      TYR   6   1.156   1.467   1.565
   49    HD1  TYR   6           HD1      TYR   6   1.990   4.908   0.325
   50    HD2  TYR   6           HD2      TYR   6  -0.731   2.443   2.556
   51    HE1  TYR   6           HE1      TYR   6   0.475   6.846   0.620
   52    HE2  TYR   6           HE2      TYR   6  -2.244   4.385   2.852
   53    HH   TYR   6           HH       TYR   6  -2.107   7.114   1.055
   54    H    GLY   7           HN       GLY   7   3.704   1.163   4.021
   55    HA2  GLY   7           HA2      GLY   7   3.632   1.395   6.329
   56    HA3  GLY   7           HA1      GLY   7   2.864   2.966   6.116
   57    H    ALA   8           HN       ALA   8   1.663   0.061   4.582
   58    HA   ALA   8           HA       ALA   8  -0.879   0.372   5.999
   59    HB1  ALA   8           HB1      ALA   8  -1.816  -1.032   4.337
   60    HB2  ALA   8           HB2      ALA   8  -0.238  -1.660   3.864
   61    HB3  ALA   8           HB3      ALA   8  -0.675   0.005   3.478
   62    H    GLY   9           HN       GLY   9   0.913  -0.396   7.830
   63    HA2  GLY   9           HA2      GLY   9  -0.118  -2.584   9.093
   64    HA3  GLY   9           HA1      GLY   9   1.136  -3.261   8.059
   65    H    VAL  10           HN       VAL  10   1.135  -0.124   9.701
   66    HA   VAL  10           HA       VAL  10   3.135  -1.057  11.635
   67    HB   VAL  10           HB       VAL  10   4.519   1.043  11.021
   68   HG11  VAL  10          HG11      VAL  10   5.763  -0.228   9.295
   69   HG12  VAL  10          HG12      VAL  10   4.402  -1.339   9.149
   70   HG13  VAL  10          HG13      VAL  10   5.310  -1.251  10.657
   71   HG21  VAL  10          HG21      VAL  10   2.953   0.637   8.451
   72   HG22  VAL  10          HG22      VAL  10   4.386   1.649   8.614
   73   HG23  VAL  10          HG23      VAL  10   2.913   2.070   9.478
   74    H    ALA  11           HN       ALA  11   1.399   1.804  10.391
   75    HA   ALA  11           HA       ALA  11   1.204   2.878  13.126
   76    HB1  ALA  11           HB1      ALA  11   0.558   4.079  10.423
   77    HB2  ALA  11           HB2      ALA  11   1.956   4.448  11.434
   78    HB3  ALA  11           HB3      ALA  11   0.338   4.908  11.966
   79    H    SER  12           HN       SER  12  -0.522   0.983  10.964
   80    HA   SER  12           HA       SER  12  -3.177   1.926  11.646
   81    HB2  SER  12           HB2      SER  12  -2.069  -0.308   9.977
   82    HB3  SER  12           HB1      SER  12  -3.773  -0.311  10.426
   83    HG   SER  12           HG       SER  12  -3.274   0.790   8.426
   84    H    LEU  13           HN       LEU  13  -0.883   0.062  13.222
   85    HA   LEU  13           HA       LEU  13  -2.840  -1.684  14.543
   86    HB2  LEU  13           HB2      LEU  13   0.101  -1.690  14.161
   87    HB3  LEU  13           HB1      LEU  13  -0.436  -2.270  15.737
   88    HG   LEU  13           HG       LEU  13  -1.989  -3.849  14.569
   89   HD11  LEU  13          HD11      LEU  13  -0.586  -2.736  12.123
   90   HD12  LEU  13          HD12      LEU  13  -2.313  -2.670  12.475
   91   HD13  LEU  13          HD13      LEU  13  -1.544  -4.217  12.117
   92   HD21  LEU  13          HD21      LEU  13   0.915  -4.053  13.709
   93   HD22  LEU  13          HD22      LEU  13  -0.230  -5.391  13.814
   94   HD23  LEU  13          HD23      LEU  13   0.285  -4.553  15.278
   95    HA   PRO  14           HA       PRO  14  -1.091   0.507  18.461
   96    HB2  PRO  14           HB2      PRO  14   0.390   2.823  18.014
   97    HB3  PRO  14           HB1      PRO  14   1.088   1.217  18.295
   98    HG2  PRO  14           HG2      PRO  14   0.586   2.627  15.709
   99    HG3  PRO  14           HG1      PRO  14   1.999   1.684  16.221
  100    HD2  PRO  14           HD2      PRO  14   0.165   0.610  14.584
  101    HD3  PRO  14           HD1      PRO  14   0.928  -0.370  15.858
  102    H    LEU  15           HN       LEU  15  -1.724   2.775  15.759
  103    HA   LEU  15           HA       LEU  15  -3.104   4.696  17.306
  104    HB2  LEU  15           HB2      LEU  15  -3.299   4.019  14.365
  105    HB3  LEU  15           HB1      LEU  15  -4.093   5.406  15.104
  106    HG   LEU  15           HG       LEU  15  -1.104   4.889  15.210
  107   HD11  LEU  15          HD11      LEU  15  -2.571   6.954  13.550
  108   HD12  LEU  15          HD12      LEU  15  -2.079   5.388  12.908
  109   HD13  LEU  15          HD13      LEU  15  -0.861   6.530  13.475
  110   HD21  LEU  15          HD21      LEU  15  -1.512   6.308  17.025
  111   HD22  LEU  15          HD22      LEU  15  -2.916   7.054  16.264
  112   HD23  LEU  15          HD23      LEU  15  -1.291   7.492  15.741
  113    H    LEU  16           HN       LEU  16  -4.225   1.862  15.514
  114    HA   LEU  16           HA       LEU  16  -6.991   2.259  15.962
  115    HB2  LEU  16           HB2      LEU  16  -5.276  -0.095  15.224
  116    HB3  LEU  16           HB1      LEU  16  -6.974  -0.350  15.611
  117    HG   LEU  16           HG       LEU  16  -6.443   0.004  13.142
  118   HD11  LEU  16          HD11      LEU  16  -8.703   0.531  14.397
  119   HD12  LEU  16          HD12      LEU  16  -8.476   1.059  12.733
  120   HD13  LEU  16          HD13      LEU  16  -8.279   2.209  14.053
  121   HD21  LEU  16          HD21      LEU  16  -4.767   1.882  13.716
  122   HD22  LEU  16          HD22      LEU  16  -6.181   2.921  13.882
  123   HD23  LEU  16          HD23      LEU  16  -5.831   2.147  12.338
  124    H    ASN  17           HN       ASN  17  -4.463   0.592  17.769
  125    HA   ASN  17           HA       ASN  17  -6.096  -0.640  19.702
  126    HB2  ASN  17           HB2      ASN  17  -3.218   0.260  19.692
  127    HB3  ASN  17           HB1      ASN  17  -3.939  -0.481  21.120
  128   HD21  ASN  17          HD21      ASN  17  -5.648  -2.386  19.760
  129   HD22  ASN  17          HD22      ASN  17  -4.644  -3.528  19.009
  130    H    VAL  18           HN       VAL  18  -4.616   2.585  19.595
  131    HA   VAL  18           HA       VAL  18  -5.307   3.380  22.216
  132    HB   VAL  18           HB       VAL  18  -4.913   5.016  19.698
  133   HG11  VAL  18          HG11      VAL  18  -5.362   5.810  22.578
  134   HG12  VAL  18          HG12      VAL  18  -6.163   6.427  21.134
  135   HG13  VAL  18          HG13      VAL  18  -4.486   6.860  21.464
  136   HG21  VAL  18          HG21      VAL  18  -2.993   3.620  20.680
  137   HG22  VAL  18          HG22      VAL  18  -3.071   4.694  22.077
  138   HG23  VAL  18          HG23      VAL  18  -2.686   5.345  20.484
  139    H    ILE  19           HN       ILE  19  -6.996   3.742  19.109
  140    HA   ILE  19           HA       ILE  19  -9.241   5.132  20.131
  141    HB   ILE  19           HB       ILE  19  -8.929   3.358  17.693
  142   HG12  ILE  19          HG12      ILE  19  -9.093   6.375  17.950
  143   HG13  ILE  19          HG11      ILE  19  -7.575   5.484  17.857
  144   HG21  ILE  19          HG21      ILE  19 -11.283   3.414  18.220
  145   HG22  ILE  19          HG22      ILE  19 -11.021   4.585  16.930
  146   HG23  ILE  19          HG23      ILE  19 -11.214   5.137  18.592
  147   HD11  ILE  19          HD11      ILE  19  -8.374   6.374  15.639
  148   HD12  ILE  19          HD12      ILE  19  -9.761   5.296  15.768
  149   HD13  ILE  19          HD13      ILE  19  -8.133   4.628  15.665
  150    H    ALA  20           HN       ALA  20  -8.559   1.700  19.604
  151    HA   ALA  20           HA       ALA  20 -11.042   0.618  20.262
  152    HB1  ALA  20           HB1      ALA  20  -8.400  -0.615  21.051
  153    HB2  ALA  20           HB2      ALA  20  -8.980  -0.592  19.385
  154    HB3  ALA  20           HB3      ALA  20  -9.900  -1.439  20.628
  155    HN1  NH2  21           H2       NH2  21  -9.501   1.765  23.836
  156    HN2  NH2  21           H1       NH2  21  -8.691   2.117  22.387
  Start of MODEL   33
    1    H1   ACE   0           HA2      ACE   0   5.606  -2.449  -0.997
    2    H2   ACE   0           HA3      ACE   0   4.427  -3.186  -2.082
    3    H3   ACE   0           HA1      ACE   0   6.070  -2.879  -2.644
    4    H    LEU   1           HN       LEU   1   6.962  -3.746   0.173
    5    HA   LEU   1           HA       LEU   1   7.668  -6.402  -0.477
    6    HB2  LEU   1           HB2      LEU   1   7.655  -4.922   2.160
    7    HB3  LEU   1           HB1      LEU   1   8.343  -6.529   1.952
    8    HG   LEU   1           HG       LEU   1   9.180  -4.148   0.275
    9   HD11  LEU   1          HD11      LEU   1   9.698  -3.603   2.574
   10   HD12  LEU   1          HD12      LEU   1  11.195  -4.100   1.785
   11   HD13  LEU   1          HD13      LEU   1  10.351  -5.216   2.858
   12   HD21  LEU   1          HD21      LEU   1   9.909  -6.093  -0.839
   13   HD22  LEU   1          HD22      LEU   1  10.193  -6.970   0.663
   14   HD23  LEU   1          HD23      LEU   1  11.302  -5.697   0.162
   15    H    GLY   2           HN       GLY   2   5.132  -5.065   1.605
   16    HA2  GLY   2           HA2      GLY   2   3.461  -7.366   1.215
   17    HA3  GLY   2           HA1      GLY   2   4.142  -7.306   2.838
   18    H    LEU   3           HN       LEU   3   2.600  -5.075   0.509
   19    HA   LEU   3           HA       LEU   3   1.099  -3.352   0.832
   20    HB2  LEU   3           HB2      LEU   3   0.094  -5.363   2.857
   21    HB3  LEU   3           HB1      LEU   3  -0.800  -3.929   2.362
   22    HG   LEU   3           HG       LEU   3   0.173  -6.062   0.436
   23   HD11  LEU   3          HD11      LEU   3  -2.332  -6.632   0.383
   24   HD12  LEU   3          HD12      LEU   3  -2.456  -5.718   1.886
   25   HD13  LEU   3          HD13      LEU   3  -1.432  -7.152   1.808
   26   HD21  LEU   3          HD21      LEU   3  -0.215  -4.163  -0.878
   27   HD22  LEU   3          HD22      LEU   3  -1.484  -3.552   0.183
   28   HD23  LEU   3          HD23      LEU   3  -1.810  -4.906  -0.895
   29    H    LEU   4           HN       LEU   4   3.510  -3.852   2.874
   30    HA   LEU   4           HA       LEU   4   2.765  -2.539   5.262
   31    HB2  LEU   4           HB2      LEU   4   4.829  -3.853   5.082
   32    HB3  LEU   4           HB1      LEU   4   5.470  -2.709   3.905
   33    HG   LEU   4           HG       LEU   4   5.446  -0.922   5.587
   34   HD11  LEU   4          HD11      LEU   4   4.074  -3.040   7.234
   35   HD12  LEU   4          HD12      LEU   4   3.658  -1.338   7.040
   36   HD13  LEU   4          HD13      LEU   4   5.034  -1.798   8.038
   37   HD21  LEU   4          HD21      LEU   4   7.202  -1.825   7.059
   38   HD22  LEU   4          HD22      LEU   4   7.427  -2.398   5.405
   39   HD23  LEU   4          HD23      LEU   4   6.733  -3.469   6.622
   40    H    SER   5           HN       SER   5   4.157  -1.371   2.224
   41    HA   SER   5           HA       SER   5   4.312   1.368   3.035
   42    HB2  SER   5           HB2      SER   5   4.693   1.790   0.620
   43    HB3  SER   5           HB1      SER   5   5.737   0.520   1.252
   44    HG   SER   5           HG       SER   5   4.881  -0.322  -0.571
   45    H    TYR   6           HN       TYR   6   1.782  -0.669   1.932
   46    HA   TYR   6           HA       TYR   6   0.112   1.166   0.610
   47    HB2  TYR   6           HB2      TYR   6  -0.172  -1.364   0.778
   48    HB3  TYR   6           HB1      TYR   6  -0.856  -1.082   2.378
   49    HD1  TYR   6           HD1      TYR   6  -2.968   0.173   2.650
   50    HD2  TYR   6           HD2      TYR   6  -1.361  -0.746  -1.225
   51    HE1  TYR   6           HE1      TYR   6  -5.158   0.709   1.615
   52    HE2  TYR   6           HE2      TYR   6  -3.546  -0.206  -2.261
   53    HH   TYR   6           HH       TYR   6  -5.676   1.490  -1.282
   54    H    GLY   7           HN       GLY   7   0.331   0.269   4.042
   55    HA2  GLY   7           HA2      GLY   7  -1.767   1.915   4.971
   56    HA3  GLY   7           HA1      GLY   7  -0.433   1.305   5.948
   57    H    ALA   8           HN       ALA   8   1.673   2.512   4.429
   58    HA   ALA   8           HA       ALA   8   2.937   4.433   4.514
   59    HB1  ALA   8           HB1      ALA   8   0.354   5.868   3.898
   60    HB2  ALA   8           HB2      ALA   8   1.224   4.922   2.690
   61    HB3  ALA   8           HB3      ALA   8   1.992   6.326   3.432
   62    H    GLY   9           HN       GLY   9   1.066   3.614   6.895
   63    HA2  GLY   9           HA2      GLY   9   2.032   5.053   8.932
   64    HA3  GLY   9           HA1      GLY   9   0.802   6.150   8.311
   65    H    VAL  10           HN       VAL  10  -0.939   3.925   7.462
   66    HA   VAL  10           HA       VAL  10  -2.503   3.686   9.805
   67    HB   VAL  10           HB       VAL  10  -2.587   2.152   7.199
   68   HG11  VAL  10          HG11      VAL  10  -4.982   1.690   7.985
   69   HG12  VAL  10          HG12      VAL  10  -4.435   2.169   9.593
   70   HG13  VAL  10          HG13      VAL  10  -3.708   0.776   8.791
   71   HG21  VAL  10          HG21      VAL  10  -4.517   3.663   6.766
   72   HG22  VAL  10          HG22      VAL  10  -3.015   4.560   6.989
   73   HG23  VAL  10          HG23      VAL  10  -4.196   4.480   8.296
   74    H    ALA  11           HN       ALA  11  -0.344   1.395   8.154
   75    HA   ALA  11           HA       ALA  11   0.565  -0.605   8.832
   76    HB1  ALA  11           HB1      ALA  11   1.355  -0.674  11.154
   77    HB2  ALA  11           HB2      ALA  11   0.328   0.703  11.553
   78    HB3  ALA  11           HB3      ALA  11   1.675   0.903  10.434
   79    H    SER  12           HN       SER  12  -2.246  -0.607   8.500
   80    HA   SER  12           HA       SER  12  -4.025  -2.003   8.856
   81    HB2  SER  12           HB2      SER  12  -2.078  -3.687   9.046
   82    HB3  SER  12           HB1      SER  12  -2.348  -3.599  10.783
   83    HG   SER  12           HG       SER  12  -3.895  -4.709   8.774
   84    H    LEU  13           HN       LEU  13  -2.970   0.146  10.917
   85    HA   LEU  13           HA       LEU  13  -3.797   1.131  12.817
   86    HB2  LEU  13           HB2      LEU  13  -5.944   0.691  11.463
   87    HB3  LEU  13           HB1      LEU  13  -6.190  -0.682  12.538
   88    HG   LEU  13           HG       LEU  13  -5.774   1.132  14.443
   89   HD11  LEU  13          HD11      LEU  13  -6.409   3.358  13.887
   90   HD12  LEU  13          HD12      LEU  13  -7.002   2.877  12.297
   91   HD13  LEU  13          HD13      LEU  13  -5.273   2.890  12.623
   92   HD21  LEU  13          HD21      LEU  13  -8.373   1.073  12.872
   93   HD22  LEU  13          HD22      LEU  13  -8.186   1.500  14.573
   94   HD23  LEU  13          HD23      LEU  13  -7.887  -0.154  14.040
   95    HA   PRO  14           HA       PRO  14  -2.875  -2.504  15.495
   96    HB2  PRO  14           HB2      PRO  14  -0.210  -2.166  15.873
   97    HB3  PRO  14           HB1      PRO  14  -0.862  -2.954  14.423
   98    HG2  PRO  14           HG2      PRO  14   0.364  -0.284  14.704
   99    HG3  PRO  14           HG1      PRO  14   0.191  -1.298  13.265
  100    HD2  PRO  14           HD2      PRO  14  -1.493   0.931  14.084
  101    HD3  PRO  14           HD1      PRO  14  -1.616  -0.050  12.610
  102    H    LEU  15           HN       LEU  15  -0.632   0.178  16.125
  103    HA   LEU  15           HA       LEU  15  -1.092   0.248  18.906
  104    HB2  LEU  15           HB2      LEU  15   0.124   2.251  16.999
  105    HB3  LEU  15           HB1      LEU  15   0.099   2.484  18.744
  106    HG   LEU  15           HG       LEU  15   1.250  -0.003  17.446
  107   HD11  LEU  15          HD11      LEU  15   3.484   1.152  17.941
  108   HD12  LEU  15          HD12      LEU  15   2.560   2.647  18.091
  109   HD13  LEU  15          HD13      LEU  15   2.577   1.768  16.561
  110   HD21  LEU  15          HD21      LEU  15   2.587   0.118  19.695
  111   HD22  LEU  15          HD22      LEU  15   0.920  -0.438  19.749
  112   HD23  LEU  15          HD23      LEU  15   1.311   1.216  20.217
  113    H    LEU  16           HN       LEU  16  -2.406   2.144  16.233
  114    HA   LEU  16           HA       LEU  16  -3.805   4.052  17.761
  115    HB2  LEU  16           HB2      LEU  16  -4.351   2.910  15.015
  116    HB3  LEU  16           HB1      LEU  16  -5.225   4.280  15.693
  117    HG   LEU  16           HG       LEU  16  -2.208   4.193  15.407
  118   HD11  LEU  16          HD11      LEU  16  -3.325   4.050  13.206
  119   HD12  LEU  16          HD12      LEU  16  -2.514   5.601  13.419
  120   HD13  LEU  16          HD13      LEU  16  -4.265   5.490  13.596
  121   HD21  LEU  16          HD21      LEU  16  -2.643   5.879  16.970
  122   HD22  LEU  16          HD22      LEU  16  -4.218   6.267  16.279
  123   HD23  LEU  16          HD23      LEU  16  -2.745   6.794  15.468
  124    H    ASN  17           HN       ASN  17  -4.713   0.853  16.566
  125    HA   ASN  17           HA       ASN  17  -7.424   0.910  17.333
  126    HB2  ASN  17           HB2      ASN  17  -6.559  -0.815  15.846
  127    HB3  ASN  17           HB1      ASN  17  -5.514  -1.428  17.124
  128   HD21  ASN  17          HD21      ASN  17  -9.003  -0.848  16.426
  129   HD22  ASN  17          HD22      ASN  17  -9.552  -2.160  17.353
  130    H    VAL  18           HN       VAL  18  -4.498  -0.058  19.085
  131    HA   VAL  18           HA       VAL  18  -5.788  -1.036  21.406
  132    HB   VAL  18           HB       VAL  18  -3.035   0.160  21.010
  133   HG11  VAL  18          HG11      VAL  18  -3.518   0.380  23.343
  134   HG12  VAL  18          HG12      VAL  18  -2.565  -1.095  23.185
  135   HG13  VAL  18          HG13      VAL  18  -4.313  -1.193  23.396
  136   HG21  VAL  18          HG21      VAL  18  -3.842  -2.726  21.427
  137   HG22  VAL  18          HG22      VAL  18  -2.291  -2.105  20.861
  138   HG23  VAL  18          HG23      VAL  18  -3.713  -2.006  19.822
  139    H    ILE  19           HN       ILE  19  -4.476   2.158  20.573
  140    HA   ILE  19           HA       ILE  19  -5.120   3.431  23.020
  141    HB   ILE  19           HB       ILE  19  -4.743   4.529  20.222
  142   HG12  ILE  19          HG12      ILE  19  -2.921   4.645  22.639
  143   HG13  ILE  19          HG11      ILE  19  -2.813   3.381  21.413
  144   HG21  ILE  19          HG21      ILE  19  -5.111   5.916  22.888
  145   HG22  ILE  19          HG22      ILE  19  -6.030   6.168  21.404
  146   HG23  ILE  19          HG23      ILE  19  -4.353   6.703  21.504
  147   HD11  ILE  19          HD11      ILE  19  -2.497   6.362  20.961
  148   HD12  ILE  19          HD12      ILE  19  -2.529   5.157  19.674
  149   HD13  ILE  19          HD13      ILE  19  -1.226   5.143  20.862
  150    H    ALA  20           HN       ALA  20  -6.835   3.108  19.940
  151    HA   ALA  20           HA       ALA  20  -9.083   4.691  20.663
  152    HB1  ALA  20           HB1      ALA  20  -9.080   2.415  18.677
  153    HB2  ALA  20           HB2      ALA  20  -8.389   3.997  18.316
  154    HB3  ALA  20           HB3      ALA  20 -10.108   3.848  18.681
  155    HN1  NH2  21           H2       NH2  21  -9.829   0.846  21.873
  156    HN2  NH2  21           H1       NH2  21  -8.471   1.164  20.904
  Start of MODEL   34
    1    H1   ACE   0           HA2      ACE   0   0.789  -3.509  -3.021
    2    H2   ACE   0           HA3      ACE   0   0.876  -3.059  -1.317
    3    H3   ACE   0           HA1      ACE   0  -0.554  -3.883  -1.939
    4    H    LEU   1           HN       LEU   1   2.423  -4.951  -3.230
    5    HA   LEU   1           HA       LEU   1   2.157  -7.517  -1.853
    6    HB2  LEU   1           HB2      LEU   1   3.922  -6.599  -4.126
    7    HB3  LEU   1           HB1      LEU   1   3.921  -8.234  -3.473
    8    HG   LEU   1           HG       LEU   1   1.458  -6.846  -4.566
    9   HD11  LEU   1          HD11      LEU   1   3.266  -7.245  -6.281
   10   HD12  LEU   1          HD12      LEU   1   1.767  -8.116  -6.598
   11   HD13  LEU   1          HD13      LEU   1   3.151  -8.968  -5.916
   12   HD21  LEU   1          HD21      LEU   1   0.622  -8.559  -3.225
   13   HD22  LEU   1          HD22      LEU   1   2.040  -9.582  -3.449
   14   HD23  LEU   1          HD23      LEU   1   0.843  -9.436  -4.736
   15    H    GLY   2           HN       GLY   2   3.652  -4.673  -1.163
   16    HA2  GLY   2           HA2      GLY   2   5.453  -5.929   0.717
   17    HA3  GLY   2           HA1      GLY   2   6.276  -5.067  -0.577
   18    H    LEU   3           HN       LEU   3   4.220  -3.004  -0.823
   19    HA   LEU   3           HA       LEU   3   5.098  -1.315   1.386
   20    HB2  LEU   3           HB2      LEU   3   3.490  -0.713  -1.102
   21    HB3  LEU   3           HB1      LEU   3   3.959   0.493   0.094
   22    HG   LEU   3           HG       LEU   3   5.915  -1.270  -1.414
   23   HD11  LEU   3          HD11      LEU   3   5.014   1.585  -1.887
   24   HD12  LEU   3          HD12      LEU   3   4.853   0.220  -2.991
   25   HD13  LEU   3          HD13      LEU   3   6.449   0.877  -2.628
   26   HD21  LEU   3          HD21      LEU   3   6.177   0.896   0.667
   27   HD22  LEU   3          HD22      LEU   3   7.422   0.771  -0.575
   28   HD23  LEU   3          HD23      LEU   3   7.097  -0.598   0.482
   29    H    LEU   4           HN       LEU   4   2.535  -3.378   0.831
   30    HA   LEU   4           HA       LEU   4   0.340  -1.911   1.818
   31    HB2  LEU   4           HB2      LEU   4   0.097  -4.065   0.654
   32    HB3  LEU   4           HB1      LEU   4   0.885  -4.885   1.998
   33    HG   LEU   4           HG       LEU   4  -0.935  -4.162   3.510
   34   HD11  LEU   4          HD11      LEU   4  -3.045  -3.282   2.178
   35   HD12  LEU   4          HD12      LEU   4  -1.835  -2.715   1.026
   36   HD13  LEU   4          HD13      LEU   4  -1.799  -2.150   2.696
   37   HD21  LEU   4          HD21      LEU   4  -2.679  -5.615   2.580
   38   HD22  LEU   4          HD22      LEU   4  -1.088  -6.311   2.267
   39   HD23  LEU   4          HD23      LEU   4  -1.958  -5.484   0.975
   40    H    SER   5           HN       SER   5   2.759  -3.928   3.447
   41    HA   SER   5           HA       SER   5   1.612  -3.404   6.071
   42    HB2  SER   5           HB2      SER   5   3.953  -4.999   5.056
   43    HB3  SER   5           HB1      SER   5   3.757  -4.678   6.778
   44    HG   SER   5           HG       SER   5   1.589  -5.629   5.264
   45    H    TYR   6           HN       TYR   6   3.849  -1.925   3.966
   46    HA   TYR   6           HA       TYR   6   5.688  -0.805   5.779
   47    HB2  TYR   6           HB2      TYR   6   6.111  -0.776   3.402
   48    HB3  TYR   6           HB1      TYR   6   4.682   0.220   3.117
   49    HD1  TYR   6           HD2      TYR   6   7.945   0.172   4.942
   50    HD2  TYR   6           HD1      TYR   6   4.842   2.574   3.197
   51    HE1  TYR   6           HE2      TYR   6   9.307   2.207   5.323
   52    HE2  TYR   6           HE1      TYR   6   6.205   4.609   3.575
   53    HH   TYR   6           HH       TYR   6   9.466   4.399   4.999
   54    H    GLY   7           HN       GLY   7   2.596   0.467   4.533
   55    HA2  GLY   7           HA2      GLY   7   1.626   1.656   6.769
   56    HA3  GLY   7           HA1      GLY   7   2.778   2.847   6.174
   57    H    ALA   8           HN       ALA   8   0.611   0.672   4.377
   58    HA   ALA   8           HA       ALA   8  -0.415   2.983   2.870
   59    HB1  ALA   8           HB1      ALA   8  -0.833   0.022   2.404
   60    HB2  ALA   8           HB2      ALA   8   0.421   0.995   1.635
   61    HB3  ALA   8           HB3      ALA   8  -1.280   1.330   1.308
   62    H    GLY   9           HN       GLY   9  -1.198   2.279   5.694
   63    HA2  GLY   9           HA2      GLY   9  -3.832   3.039   5.727
   64    HA3  GLY   9           HA1      GLY   9  -3.892   1.282   5.588
   65    H    VAL  10           HN       VAL  10  -1.557   0.688   7.041
   66    HA   VAL  10           HA       VAL  10  -2.553   0.672   9.696
   67    HB   VAL  10           HB       VAL  10   0.223   0.110   8.617
   68   HG11  VAL  10          HG11      VAL  10   0.465   0.603  10.946
   69   HG12  VAL  10          HG12      VAL  10   0.416  -1.156  10.827
   70   HG13  VAL  10          HG13      VAL  10  -1.014  -0.267  11.352
   71   HG21  VAL  10          HG21      VAL  10  -0.472  -2.245   8.871
   72   HG22  VAL  10          HG22      VAL  10  -1.563  -1.390   7.780
   73   HG23  VAL  10          HG23      VAL  10  -2.057  -1.721   9.441
   74    H    ALA  11           HN       ALA  11  -0.080   2.564   8.018
   75    HA   ALA  11           HA       ALA  11   0.722   4.682   8.439
   76    HB1  ALA  11           HB1      ALA  11  -0.893   4.910  10.963
   77    HB2  ALA  11           HB2      ALA  11  -1.719   4.941   9.408
   78    HB3  ALA  11           HB3      ALA  11  -0.489   6.150   9.776
   79    H    SER  12           HN       SER  12   0.073   3.216  11.592
   80    HA   SER  12           HA       SER  12   2.691   2.408  12.194
   81    HB2  SER  12           HB2      SER  12   3.350   4.734  12.206
   82    HB3  SER  12           HB1      SER  12   1.965   5.173  13.198
   83    HG   SER  12           HG       SER  12   3.100   4.643  14.873
   84    H    LEU  13           HN       LEU  13   0.051   1.501  12.476
   85    HA   LEU  13           HA       LEU  13  -1.464   0.654  13.978
   86    HB2  LEU  13           HB2      LEU  13   0.703  -0.632  14.390
   87    HB3  LEU  13           HB1      LEU  13   0.938   0.415  15.787
   88    HG   LEU  13           HG       LEU  13  -1.551  -0.329  16.375
   89   HD11  LEU  13          HD11      LEU  13  -0.555  -2.748  14.843
   90   HD12  LEU  13          HD12      LEU  13  -1.737  -1.618  14.187
   91   HD13  LEU  13          HD13      LEU  13  -2.117  -2.549  15.632
   92   HD21  LEU  13          HD21      LEU  13   0.803  -2.214  16.726
   93   HD22  LEU  13          HD22      LEU  13  -0.643  -2.156  17.732
   94   HD23  LEU  13          HD23      LEU  13   0.484  -0.801  17.730
   95    HA   PRO  14           HA       PRO  14  -1.514   4.294  16.882
   96    HB2  PRO  14           HB2      PRO  14  -2.656   6.287  15.502
   97    HB3  PRO  14           HB1      PRO  14  -0.944   5.884  15.260
   98    HG2  PRO  14           HG2      PRO  14  -3.275   5.325  13.504
   99    HG3  PRO  14           HG1      PRO  14  -1.582   5.621  13.074
  100    HD2  PRO  14           HD2      PRO  14  -2.875   3.060  13.346
  101    HD3  PRO  14           HD1      PRO  14  -1.162   3.378  13.026
  102    H    LEU  15           HN       LEU  15  -4.105   4.041  14.447
  103    HA   LEU  15           HA       LEU  15  -6.251   4.526  16.214
  104    HB2  LEU  15           HB2      LEU  15  -6.038   3.293  13.471
  105    HB3  LEU  15           HB1      LEU  15  -7.586   3.393  14.308
  106    HG   LEU  15           HG       LEU  15  -5.772   5.771  13.800
  107   HD11  LEU  15          HD11      LEU  15  -6.577   4.838  11.679
  108   HD12  LEU  15          HD12      LEU  15  -7.391   6.365  12.019
  109   HD13  LEU  15          HD13      LEU  15  -8.232   4.837  12.288
  110   HD21  LEU  15          HD21      LEU  15  -8.445   5.389  15.122
  111   HD22  LEU  15          HD22      LEU  15  -8.224   6.843  14.150
  112   HD23  LEU  15          HD23      LEU  15  -7.151   6.522  15.506
  113    H    LEU  16           HN       LEU  16  -4.721   1.559  15.058
  114    HA   LEU  16           HA       LEU  16  -6.551  -0.270  16.179
  115    HB2  LEU  16           HB2      LEU  16  -3.658  -0.434  15.361
  116    HB3  LEU  16           HB1      LEU  16  -4.434  -1.805  16.147
  117    HG   LEU  16           HG       LEU  16  -4.504  -1.880  13.628
  118   HD11  LEU  16          HD11      LEU  16  -6.569  -2.906  13.590
  119   HD12  LEU  16          HD12      LEU  16  -7.364  -1.623  14.497
  120   HD13  LEU  16          HD13      LEU  16  -6.354  -2.802  15.335
  121   HD21  LEU  16          HD21      LEU  16  -6.507   0.376  13.889
  122   HD22  LEU  16          HD22      LEU  16  -5.868  -0.333  12.407
  123   HD23  LEU  16          HD23      LEU  16  -4.821   0.639  13.441
  124    H    ASN  17           HN       ASN  17  -3.648   1.284  17.469
  125    HA   ASN  17           HA       ASN  17  -3.515  -0.134  19.903
  126    HB2  ASN  17           HB2      ASN  17  -2.527   2.567  19.004
  127    HB3  ASN  17           HB1      ASN  17  -2.319   2.042  20.674
  128   HD21  ASN  17          HD21      ASN  17  -0.061   2.471  18.972
  129   HD22  ASN  17          HD22      ASN  17   0.676   0.970  18.672
  130    H    VAL  18           HN       VAL  18  -5.253   2.811  18.971
  131    HA   VAL  18           HA       VAL  18  -6.192   3.503  21.544
  132    HB   VAL  18           HB       VAL  18  -7.350   4.016  18.793
  133   HG11  VAL  18          HG11      VAL  18  -9.182   4.232  20.315
  134   HG12  VAL  18          HG12      VAL  18  -8.586   5.870  20.046
  135   HG13  VAL  18          HG13      VAL  18  -8.170   5.013  21.530
  136   HG21  VAL  18          HG21      VAL  18  -5.101   4.996  19.370
  137   HG22  VAL  18          HG22      VAL  18  -5.872   5.838  20.714
  138   HG23  VAL  18          HG23      VAL  18  -6.345   6.207  19.055
  139    H    ILE  19           HN       ILE  19  -7.607   1.525  18.955
  140    HA   ILE  19           HA       ILE  19 -10.010   0.880  20.309
  141    HB   ILE  19           HB       ILE  19  -8.486  -0.565  18.126
  142   HG12  ILE  19          HG12      ILE  19 -11.035   1.067  17.995
  143   HG13  ILE  19          HG11      ILE  19  -9.437   1.753  17.700
  144   HG21  ILE  19          HG21      ILE  19 -11.190  -1.089  19.376
  145   HG22  ILE  19          HG22      ILE  19  -9.863  -2.226  19.144
  146   HG23  ILE  19          HG23      ILE  19 -10.781  -1.649  17.755
  147   HD11  ILE  19          HD11      ILE  19 -10.535   1.078  15.583
  148   HD12  ILE  19          HD12      ILE  19 -10.643  -0.579  16.180
  149   HD13  ILE  19          HD13      ILE  19  -9.066   0.147  15.875
  150    H    ALA  20           HN       ALA  20  -6.860  -0.713  20.084
  151    HA   ALA  20           HA       ALA  20  -7.468  -3.048  21.521
  152    HB1  ALA  20           HB1      ALA  20  -4.828  -1.565  21.472
  153    HB2  ALA  20           HB2      ALA  20  -5.378  -2.678  20.219
  154    HB3  ALA  20           HB3      ALA  20  -5.071  -3.270  21.851
  155    HN1  NH2  21           H2       NH2  21  -6.837  -0.163  24.346
  156    HN2  NH2  21           H1       NH2  21  -6.620   0.203  22.703
  Start of MODEL   35
    1    H1   ACE   0           HA2      ACE   0   4.675  -8.768   3.612
    2    H2   ACE   0           HA3      ACE   0   6.085  -9.560   2.906
    3    H3   ACE   0           HA1      ACE   0   4.576 -10.453   3.096
    4    H    LEU   1           HN       LEU   1   2.817  -8.407   2.228
    5    HA   LEU   1           HA       LEU   1   2.843  -8.817  -0.566
    6    HB2  LEU   1           HB2      LEU   1   1.348  -6.824   1.148
    7    HB3  LEU   1           HB1      LEU   1   1.052  -7.046  -0.574
    8    HG   LEU   1           HG       LEU   1   0.892  -9.283   1.466
    9   HD11  LEU   1          HD11      LEU   1  -0.805  -7.447   1.815
   10   HD12  LEU   1          HD12      LEU   1  -1.508  -9.018   1.434
   11   HD13  LEU   1          HD13      LEU   1  -1.405  -7.773   0.190
   12   HD21  LEU   1          HD21      LEU   1  -0.607 -10.170  -0.553
   13   HD22  LEU   1          HD22      LEU   1   1.139 -10.367  -0.585
   14   HD23  LEU   1          HD23      LEU   1   0.384  -9.059  -1.496
   15    H    GLY   2           HN       GLY   2   3.896  -6.146   1.478
   16    HA2  GLY   2           HA2      GLY   2   5.733  -4.733   0.917
   17    HA3  GLY   2           HA1      GLY   2   5.420  -5.030  -0.789
   18    H    LEU   3           HN       LEU   3   2.513  -4.636   0.657
   19    HA   LEU   3           HA       LEU   3   2.228  -1.905  -0.359
   20    HB2  LEU   3           HB2      LEU   3   0.181  -3.814   0.801
   21    HB3  LEU   3           HB1      LEU   3  -0.174  -2.270   0.028
   22    HG   LEU   3           HG       LEU   3   1.238  -4.592  -1.321
   23   HD11  LEU   3          HD11      LEU   3  -1.605  -3.583  -1.648
   24   HD12  LEU   3          HD12      LEU   3  -1.148  -5.056  -0.792
   25   HD13  LEU   3          HD13      LEU   3  -0.868  -4.922  -2.529
   26   HD21  LEU   3          HD21      LEU   3   0.461  -3.115  -3.375
   27   HD22  LEU   3          HD22      LEU   3   1.933  -2.692  -2.508
   28   HD23  LEU   3          HD23      LEU   3   0.438  -1.813  -2.184
   29    H    LEU   4           HN       LEU   4   2.915  -3.436   2.568
   30    HA   LEU   4           HA       LEU   4   1.547  -1.798   4.421
   31    HB2  LEU   4           HB2      LEU   4   4.067  -3.445   4.566
   32    HB3  LEU   4           HB1      LEU   4   3.519  -2.498   5.946
   33    HG   LEU   4           HG       LEU   4   1.766  -4.509   4.503
   34   HD11  LEU   4          HD11      LEU   4   2.254  -5.922   6.581
   35   HD12  LEU   4          HD12      LEU   4   3.609  -4.833   6.877
   36   HD13  LEU   4          HD13      LEU   4   3.558  -5.794   5.399
   37   HD21  LEU   4          HD21      LEU   4   0.282  -3.197   5.733
   38   HD22  LEU   4          HD22      LEU   4   1.478  -2.792   6.961
   39   HD23  LEU   4          HD23      LEU   4   0.715  -4.381   6.959
   40    H    SER   5           HN       SER   5   4.687  -1.493   2.831
   41    HA   SER   5           HA       SER   5   5.622   0.747   4.244
   42    HB2  SER   5           HB2      SER   5   7.064  -0.631   2.805
   43    HB3  SER   5           HB1      SER   5   6.193  -0.063   1.384
   44    HG   SER   5           HG       SER   5   7.162   1.875   3.121
   45    H    TYR   6           HN       TYR   6   3.648   0.494   1.320
   46    HA   TYR   6           HA       TYR   6   3.608   3.214   0.627
   47    HB2  TYR   6           HB2      TYR   6   1.696   0.927   0.177
   48    HB3  TYR   6           HB1      TYR   6   1.298   2.554  -0.375
   49    HD1  TYR   6           HD2      TYR   6   3.937  -0.086  -0.564
   50    HD2  TYR   6           HD1      TYR   6   2.215   3.403  -2.382
   51    HE1  TYR   6           HE2      TYR   6   5.381  -0.410  -2.555
   52    HE2  TYR   6           HE1      TYR   6   3.659   3.082  -4.373
   53    HH   TYR   6           HH       TYR   6   5.566   0.195  -4.810
   54    H    GLY   7           HN       GLY   7   2.683   1.925   3.498
   55    HA2  GLY   7           HA2      GLY   7   1.693   3.006   5.304
   56    HA3  GLY   7           HA1      GLY   7   1.169   4.290   4.218
   57    H    ALA   8           HN       ALA   8   0.574   0.846   3.739
   58    HA   ALA   8           HA       ALA   8  -2.173   1.202   3.189
   59    HB1  ALA   8           HB1      ALA   8  -2.332  -1.256   3.390
   60    HB2  ALA   8           HB2      ALA   8  -0.716  -1.297   4.093
   61    HB3  ALA   8           HB3      ALA   8  -0.939  -0.775   2.422
   62    H    GLY   9           HN       GLY   9  -0.427   0.405   6.134
   63    HA2  GLY   9           HA2      GLY   9  -2.915   0.780   7.705
   64    HA3  GLY   9           HA1      GLY   9  -1.719  -0.451   8.109
   65    H    VAL  10           HN       VAL  10   0.445   1.422   7.196
   66    HA   VAL  10           HA       VAL  10   1.888   2.940   8.098
   67    HB   VAL  10           HB       VAL  10  -0.447   4.126   9.583
   68   HG11  VAL  10          HG11      VAL  10   2.040   5.285   8.281
   69   HG12  VAL  10          HG12      VAL  10   1.773   5.098  10.012
   70   HG13  VAL  10          HG13      VAL  10   0.789   6.229   9.087
   71   HG21  VAL  10          HG21      VAL  10  -0.703   5.517   7.423
   72   HG22  VAL  10          HG22      VAL  10  -1.341   3.876   7.393
   73   HG23  VAL  10          HG23      VAL  10   0.210   4.230   6.635
   74    H    ALA  11           HN       ALA  11   0.133   0.756   9.917
   75    HA   ALA  11           HA       ALA  11   0.308  -0.071  12.069
   76    HB1  ALA  11           HB1      ALA  11   2.658  -0.386  12.812
   77    HB2  ALA  11           HB2      ALA  11   3.190   0.664  11.498
   78    HB3  ALA  11           HB3      ALA  11   2.411  -0.877  11.135
   79    H    SER  12           HN       SER  12   0.134   2.984  11.582
   80    HA   SER  12           HA       SER  12   0.784   3.789  14.366
   81    HB2  SER  12           HB2      SER  12   2.239   4.769  12.452
   82    HB3  SER  12           HB1      SER  12   0.810   5.714  12.048
   83    HG   SER  12           HG       SER  12   0.814   6.419  14.259
   84    H    LEU  13           HN       LEU  13  -1.678   2.680  13.521
   85    HA   LEU  13           HA       LEU  13  -3.464   4.632  14.501
   86    HB2  LEU  13           HB2      LEU  13  -2.934   4.981  11.783
   87    HB3  LEU  13           HB1      LEU  13  -4.437   4.068  11.770
   88    HG   LEU  13           HG       LEU  13  -5.265   5.785  13.539
   89   HD11  LEU  13          HD11      LEU  13  -4.178   8.055  13.160
   90   HD12  LEU  13          HD12      LEU  13  -2.836   7.200  12.404
   91   HD13  LEU  13          HD13      LEU  13  -3.223   6.911  14.100
   92   HD21  LEU  13          HD21      LEU  13  -4.767   6.485  10.632
   93   HD22  LEU  13          HD22      LEU  13  -5.821   7.428  11.686
   94   HD23  LEU  13          HD23      LEU  13  -6.211   5.748  11.324
   95    HA   PRO  14           HA       PRO  14  -5.827   0.612  13.154
   96    HB2  PRO  14           HB2      PRO  14  -3.573  -1.253  12.583
   97    HB3  PRO  14           HB1      PRO  14  -5.078  -0.997  11.678
   98    HG2  PRO  14           HG2      PRO  14  -2.742  -0.129  10.735
   99    HG3  PRO  14           HG1      PRO  14  -4.225   0.822  10.523
  100    HD2  PRO  14           HD2      PRO  14  -2.017   1.210  12.531
  101    HD3  PRO  14           HD1      PRO  14  -2.861   2.428  11.548
  102    H    LEU  15           HN       LEU  15  -2.610  -0.351  14.388
  103    HA   LEU  15           HA       LEU  15  -3.594  -2.060  16.414
  104    HB2  LEU  15           HB2      LEU  15  -0.948  -0.643  16.071
  105    HB3  LEU  15           HB1      LEU  15  -1.257  -1.805  17.357
  106    HG   LEU  15           HG       LEU  15  -1.666  -2.445  14.421
  107   HD11  LEU  15          HD11      LEU  15   0.775  -2.747  16.180
  108   HD12  LEU  15          HD12      LEU  15   0.657  -1.951  14.610
  109   HD13  LEU  15          HD13      LEU  15   0.539  -3.706  14.720
  110   HD21  LEU  15          HD21      LEU  15  -1.232  -4.819  15.476
  111   HD22  LEU  15          HD22      LEU  15  -2.817  -4.082  15.661
  112   HD23  LEU  15          HD23      LEU  15  -1.664  -4.034  16.994
  113    H    LEU  16           HN       LEU  16  -2.572   1.327  16.452
  114    HA   LEU  16           HA       LEU  16  -2.799   1.751  19.230
  115    HB2  LEU  16           HB2      LEU  16  -3.038   3.634  16.880
  116    HB3  LEU  16           HB1      LEU  16  -3.012   4.175  18.555
  117    HG   LEU  16           HG       LEU  16  -0.843   2.438  17.348
  118   HD11  LEU  16          HD11      LEU  16   0.468   4.589  17.238
  119   HD12  LEU  16          HD12      LEU  16  -1.037   5.453  17.553
  120   HD13  LEU  16          HD13      LEU  16  -0.863   4.488  16.088
  121   HD21  LEU  16          HD21      LEU  16  -1.208   3.931  19.948
  122   HD22  LEU  16          HD22      LEU  16   0.417   3.669  19.316
  123   HD23  LEU  16          HD23      LEU  16  -0.614   2.292  19.681
  124    H    ASN  17           HN       ASN  17  -5.120   2.087  16.593
  125    HA   ASN  17           HA       ASN  17  -7.207   3.272  18.057
  126    HB2  ASN  17           HB2      ASN  17  -7.233   3.174  15.619
  127    HB3  ASN  17           HB1      ASN  17  -7.349   1.416  15.672
  128   HD21  ASN  17          HD21      ASN  17  -9.155   4.406  16.051
  129   HD22  ASN  17          HD22      ASN  17 -10.675   3.677  16.265
  130    H    VAL  18           HN       VAL  18  -6.328  -0.125  17.574
  131    HA   VAL  18           HA       VAL  18  -8.612  -1.277  18.758
  132    HB   VAL  18           HB       VAL  18  -5.761  -2.278  18.560
  133   HG11  VAL  18          HG11      VAL  18  -6.738  -3.521  20.345
  134   HG12  VAL  18          HG12      VAL  18  -6.928  -4.537  18.916
  135   HG13  VAL  18          HG13      VAL  18  -8.298  -3.610  19.527
  136   HG21  VAL  18          HG21      VAL  18  -7.161  -1.834  16.459
  137   HG22  VAL  18          HG22      VAL  18  -8.221  -3.130  17.016
  138   HG23  VAL  18          HG23      VAL  18  -6.532  -3.472  16.638
  139    H    ILE  19           HN       ILE  19  -5.457  -0.369  20.150
  140    HA   ILE  19           HA       ILE  19  -6.086  -1.169  22.805
  141    HB   ILE  19           HB       ILE  19  -4.142   0.970  21.907
  142   HG12  ILE  19          HG12      ILE  19  -3.659  -1.119  20.746
  143   HG13  ILE  19          HG11      ILE  19  -2.456  -0.870  22.006
  144   HG21  ILE  19          HG21      ILE  19  -2.973   0.243  24.040
  145   HG22  ILE  19          HG22      ILE  19  -4.445  -0.640  24.449
  146   HG23  ILE  19          HG23      ILE  19  -4.489   1.114  24.270
  147   HD11  ILE  19          HD11      ILE  19  -4.095  -2.323  23.472
  148   HD12  ILE  19          HD12      ILE  19  -3.026  -3.116  22.319
  149   HD13  ILE  19          HD13      ILE  19  -4.718  -2.849  21.910
  150    H    ALA  20           HN       ALA  20  -6.320   1.908  21.069
  151    HA   ALA  20           HA       ALA  20  -7.339   3.358  23.331
  152    HB1  ALA  20           HB1      ALA  20  -6.128   4.323  21.285
  153    HB2  ALA  20           HB2      ALA  20  -7.551   5.196  21.856
  154    HB3  ALA  20           HB3      ALA  20  -7.667   4.150  20.439
  155    HN1  NH2  21           H2       NH2  21 -10.401   1.537  21.457
  156    HN2  NH2  21           H1       NH2  21  -8.783   1.137  21.140
  Start of MODEL   36
    1    H1   ACE   0           HA2      ACE   0   8.731  -7.339  -2.187
    2    H2   ACE   0           HA3      ACE   0   8.257  -7.082  -0.507
    3    H3   ACE   0           HA1      ACE   0   8.112  -5.769  -1.673
    4    H    LEU   1           HN       LEU   1   6.281  -7.719   0.061
    5    HA   LEU   1           HA       LEU   1   4.490  -8.948  -1.745
    6    HB2  LEU   1           HB2      LEU   1   4.092  -7.920   1.071
    7    HB3  LEU   1           HB1      LEU   1   2.887  -8.857   0.194
    8    HG   LEU   1           HG       LEU   1   5.723  -9.816   0.663
    9   HD11  LEU   1          HD11      LEU   1   3.206 -10.187   2.294
   10   HD12  LEU   1          HD12      LEU   1   4.789  -9.634   2.840
   11   HD13  LEU   1          HD13      LEU   1   4.553 -11.322   2.386
   12   HD21  LEU   1          HD21      LEU   1   4.871 -11.123  -1.086
   13   HD22  LEU   1          HD22      LEU   1   3.213 -11.029  -0.495
   14   HD23  LEU   1          HD23      LEU   1   4.381 -12.071   0.315
   15    H    GLY   2           HN       GLY   2   4.626  -5.735  -0.306
   16    HA2  GLY   2           HA2      GLY   2   3.847  -3.784  -1.458
   17    HA3  GLY   2           HA1      GLY   2   2.647  -4.775  -2.283
   18    H    LEU   3           HN       LEU   3   2.738  -5.869   0.771
   19    HA   LEU   3           HA       LEU   3   0.332  -4.362   1.541
   20    HB2  LEU   3           HB2      LEU   3   1.596  -6.859   2.696
   21    HB3  LEU   3           HB1      LEU   3   0.104  -6.126   3.277
   22    HG   LEU   3           HG       LEU   3   0.543  -7.086   0.432
   23   HD11  LEU   3          HD11      LEU   3  -1.103  -8.899   1.191
   24   HD12  LEU   3          HD12      LEU   3  -0.730  -8.400   2.841
   25   HD13  LEU   3          HD13      LEU   3   0.547  -9.036   1.802
   26   HD21  LEU   3          HD21      LEU   3  -1.757  -5.820   1.916
   27   HD22  LEU   3          HD22      LEU   3  -2.109  -6.996   0.650
   28   HD23  LEU   3          HD23      LEU   3  -1.199  -5.538   0.266
   29    H    LEU   4           HN       LEU   4   3.606  -4.121   1.996
   30    HA   LEU   4           HA       LEU   4   3.821  -3.605   4.770
   31    HB2  LEU   4           HB2      LEU   4   5.440  -2.816   2.357
   32    HB3  LEU   4           HB1      LEU   4   5.842  -2.164   3.942
   33    HG   LEU   4           HG       LEU   4   7.098  -4.271   3.304
   34   HD11  LEU   4          HD11      LEU   4   7.178  -5.037   5.489
   35   HD12  LEU   4          HD12      LEU   4   5.435  -4.939   5.717
   36   HD13  LEU   4          HD13      LEU   4   6.413  -3.471   5.747
   37   HD21  LEU   4          HD21      LEU   4   5.016  -5.274   2.203
   38   HD22  LEU   4          HD22      LEU   4   4.469  -5.669   3.832
   39   HD23  LEU   4          HD23      LEU   4   5.965  -6.366   3.211
   40    H    SER   5           HN       SER   5   3.110  -1.540   1.995
   41    HA   SER   5           HA       SER   5   2.969   0.896   3.487
   42    HB2  SER   5           HB2      SER   5   3.406   0.856   1.063
   43    HB3  SER   5           HB1      SER   5   1.800   0.192   0.784
   44    HG   SER   5           HG       SER   5   2.223   2.601   2.205
   45    H    TYR   6           HN       TYR   6   1.010  -1.779   3.481
   46    HA   TYR   6           HA       TYR   6  -1.602  -0.768   3.378
   47    HB2  TYR   6           HB2      TYR   6  -0.945  -3.192   3.438
   48    HB3  TYR   6           HB1      TYR   6  -0.616  -3.005   5.162
   49    HD1  TYR   6           HD1      TYR   6  -2.465  -2.380   6.728
   50    HD2  TYR   6           HD2      TYR   6  -3.175  -3.341   2.606
   51    HE1  TYR   6           HE1      TYR   6  -4.871  -2.724   7.226
   52    HE2  TYR   6           HE2      TYR   6  -5.581  -3.684   3.098
   53    HH   TYR   6           HH       TYR   6  -6.927  -2.954   6.286
   54    H    GLY   7           HN       GLY   7   0.577  -1.168   6.179
   55    HA2  GLY   7           HA2      GLY   7  -0.883   0.976   7.574
   56    HA3  GLY   7           HA1      GLY   7  -0.762  -0.590   8.364
   57    H    ALA   8           HN       ALA   8   2.044  -0.384   6.681
   58    HA   ALA   8           HA       ALA   8   3.553   0.286   9.053
   59    HB1  ALA   8           HB1      ALA   8   4.802  -0.128   6.348
   60    HB2  ALA   8           HB2      ALA   8   4.094  -1.492   7.210
   61    HB3  ALA   8           HB3      ALA   8   5.412  -0.578   7.940
   62    H    GLY   9           HN       GLY   9   2.617   2.520   9.107
   63    HA2  GLY   9           HA2      GLY   9   4.236   4.568   8.917
   64    HA3  GLY   9           HA1      GLY   9   3.850   4.403   7.206
   65    H    VAL  10           HN       VAL  10   1.110   3.424   7.967
   66    HA   VAL  10           HA       VAL  10  -0.270   5.873   7.737
   67    HB   VAL  10           HB       VAL  10  -1.226   3.131   8.587
   68   HG11  VAL  10          HG11      VAL  10  -3.486   4.097   7.884
   69   HG12  VAL  10          HG12      VAL  10  -2.726   5.686   7.968
   70   HG13  VAL  10          HG13      VAL  10  -2.843   4.687   9.415
   71   HG21  VAL  10          HG21      VAL  10  -1.571   4.604   5.960
   72   HG22  VAL  10          HG22      VAL  10  -1.934   2.911   6.298
   73   HG23  VAL  10          HG23      VAL  10  -0.259   3.463   6.263
   74    H    ALA  11           HN       ALA  11   0.299   3.740  10.524
   75    HA   ALA  11           HA       ALA  11  -0.105   4.050  12.778
   76    HB1  ALA  11           HB1      ALA  11   1.915   5.407  12.421
   77    HB2  ALA  11           HB2      ALA  11   0.880   6.116  13.663
   78    HB3  ALA  11           HB3      ALA  11   0.908   6.804  12.037
   79    H    SER  12           HN       SER  12  -2.405   4.436  11.152
   80    HA   SER  12           HA       SER  12  -3.972   6.149  12.946
   81    HB2  SER  12           HB2      SER  12  -3.237   7.416  10.805
   82    HB3  SER  12           HB1      SER  12  -4.378   6.373   9.966
   83    HG   SER  12           HG       SER  12  -4.828   8.296  11.979
   84    H    LEU  13           HN       LEU  13  -3.631   3.257  12.483
   85    HA   LEU  13           HA       LEU  13  -6.371   2.541  12.543
   86    HB2  LEU  13           HB2      LEU  13  -5.454   2.846   9.957
   87    HB3  LEU  13           HB1      LEU  13  -5.204   1.123  10.213
   88    HG   LEU  13           HG       LEU  13  -7.648   1.152  11.158
   89   HD11  LEU  13          HD11      LEU  13  -9.058   2.875  10.005
   90   HD12  LEU  13          HD12      LEU  13  -7.582   3.692   9.498
   91   HD13  LEU  13          HD13      LEU  13  -7.976   3.569  11.212
   92   HD21  LEU  13          HD21      LEU  13  -6.988   1.481   8.217
   93   HD22  LEU  13          HD22      LEU  13  -8.538   0.894   8.819
   94   HD23  LEU  13          HD23      LEU  13  -7.067  -0.029   9.124
   95    HA   PRO  14           HA       PRO  14  -3.585  -1.351  12.949
   96    HB2  PRO  14           HB2      PRO  14  -0.806  -0.334  13.025
   97    HB3  PRO  14           HB1      PRO  14  -1.500  -1.613  12.009
   98    HG2  PRO  14           HG2      PRO  14  -0.747   0.761  10.993
   99    HG3  PRO  14           HG1      PRO  14  -2.135  -0.139  10.353
  100    HD2  PRO  14           HD2      PRO  14  -2.130   2.198  12.258
  101    HD3  PRO  14           HD1      PRO  14  -3.163   1.914  10.838
  102    H    LEU  15           HN       LEU  15  -1.355   1.069  14.272
  103    HA   LEU  15           HA       LEU  15  -1.293  -0.040  16.877
  104    HB2  LEU  15           HB2      LEU  15  -0.453   2.661  15.809
  105    HB3  LEU  15           HB1      LEU  15  -0.144   2.128  17.460
  106    HG   LEU  15           HG       LEU  15   0.754   0.591  15.004
  107   HD11  LEU  15          HD11      LEU  15   1.901   2.708  14.972
  108   HD12  LEU  15          HD12      LEU  15   3.031   1.510  15.603
  109   HD13  LEU  15          HD13      LEU  15   2.220   2.624  16.704
  110   HD21  LEU  15          HD21      LEU  15   1.148   0.286  17.980
  111   HD22  LEU  15          HD22      LEU  15   2.423  -0.250  16.889
  112   HD23  LEU  15          HD23      LEU  15   0.813  -0.948  16.767
  113    H    LEU  16           HN       LEU  16  -3.093   2.616  15.422
  114    HA   LEU  16           HA       LEU  16  -4.175   3.721  17.759
  115    HB2  LEU  16           HB2      LEU  16  -4.261   4.781  15.518
  116    HB3  LEU  16           HB1      LEU  16  -5.431   3.567  15.007
  117    HG   LEU  16           HG       LEU  16  -6.971   4.327  16.814
  118   HD11  LEU  16          HD11      LEU  16  -4.652   6.165  17.375
  119   HD12  LEU  16          HD12      LEU  16  -5.693   5.300  18.508
  120   HD13  LEU  16          HD13      LEU  16  -6.290   6.736  17.686
  121   HD21  LEU  16          HD21      LEU  16  -7.377   5.263  14.664
  122   HD22  LEU  16          HD22      LEU  16  -5.963   6.314  14.765
  123   HD23  LEU  16          HD23      LEU  16  -7.380   6.641  15.763
  124    H    ASN  17           HN       ASN  17  -5.337   1.098  15.671
  125    HA   ASN  17           HA       ASN  17  -7.806   0.680  16.968
  126    HB2  ASN  17           HB2      ASN  17  -7.372  -0.285  14.794
  127    HB3  ASN  17           HB1      ASN  17  -6.045  -1.247  15.443
  128   HD21  ASN  17          HD21      ASN  17  -6.790  -3.384  15.481
  129   HD22  ASN  17          HD22      ASN  17  -8.295  -3.868  16.100
  130    H    VAL  18           HN       VAL  18  -4.568  -0.627  17.566
  131    HA   VAL  18           HA       VAL  18  -5.295  -2.531  19.518
  132    HB   VAL  18           HB       VAL  18  -2.727  -0.972  19.141
  133   HG11  VAL  18          HG11      VAL  18  -3.430  -3.296  20.947
  134   HG12  VAL  18          HG12      VAL  18  -2.726  -1.746  21.408
  135   HG13  VAL  18          HG13      VAL  18  -1.769  -2.911  20.493
  136   HG21  VAL  18          HG21      VAL  18  -1.965  -2.898  17.945
  137   HG22  VAL  18          HG22      VAL  18  -3.577  -2.552  17.315
  138   HG23  VAL  18          HG23      VAL  18  -3.346  -3.859  18.476
  139    H    ILE  19           HN       ILE  19  -4.286   0.865  19.791
  140    HA   ILE  19           HA       ILE  19  -4.444   1.021  22.615
  141    HB   ILE  19           HB       ILE  19  -4.707   3.144  20.471
  142   HG12  ILE  19          HG12      ILE  19  -2.518   2.036  20.522
  143   HG13  ILE  19          HG11      ILE  19  -2.377   3.687  21.112
  144   HG21  ILE  19          HG21      ILE  19  -4.108   4.697  22.410
  145   HG22  ILE  19          HG22      ILE  19  -4.553   3.367  23.480
  146   HG23  ILE  19          HG23      ILE  19  -5.754   4.066  22.395
  147   HD11  ILE  19          HD11      ILE  19  -2.099   1.108  22.596
  148   HD12  ILE  19          HD12      ILE  19  -2.771   2.475  23.479
  149   HD13  ILE  19          HD13      ILE  19  -1.172   2.597  22.752
  150    H    ALA  20           HN       ALA  20  -6.749   1.705  20.023
  151    HA   ALA  20           HA       ALA  20  -8.847   2.672  21.658
  152    HB1  ALA  20           HB1      ALA  20  -8.642   2.876  19.132
  153    HB2  ALA  20           HB2      ALA  20 -10.240   2.436  19.737
  154    HB3  ALA  20           HB3      ALA  20  -9.189   1.201  19.041
  155    HN1  NH2  21           H2       NH2  21  -9.053  -1.398  21.755
  156    HN2  NH2  21           H1       NH2  21  -7.851  -0.629  20.835
  Start of MODEL   37
    1    H1   ACE   0           HA2      ACE   0   3.260  -6.212   5.729
    2    H2   ACE   0           HA3      ACE   0   4.323  -7.066   4.610
    3    H3   ACE   0           HA1      ACE   0   3.805  -7.848   6.103
    4    H    LEU   1           HN       LEU   1   1.064  -6.657   5.731
    5    HA   LEU   1           HA       LEU   1  -0.152  -8.856   4.443
    6    HB2  LEU   1           HB2      LEU   1  -1.238  -6.144   5.211
    7    HB3  LEU   1           HB1      LEU   1  -2.239  -7.447   4.576
    8    HG   LEU   1           HG       LEU   1  -0.479  -7.721   7.031
    9   HD11  LEU   1          HD11      LEU   1  -2.228  -6.029   7.406
   10   HD12  LEU   1          HD12      LEU   1  -2.570  -7.494   8.329
   11   HD13  LEU   1          HD13      LEU   1  -3.455  -7.161   6.839
   12   HD21  LEU   1          HD21      LEU   1  -2.277  -9.625   7.388
   13   HD22  LEU   1          HD22      LEU   1  -0.924  -9.913   6.303
   14   HD23  LEU   1          HD23      LEU   1  -2.504  -9.484   5.646
   15    H    GLY   2           HN       GLY   2   0.554  -5.568   3.366
   16    HA2  GLY   2           HA2      GLY   2   0.724  -6.331   0.624
   17    HA3  GLY   2           HA1      GLY   2  -0.793  -5.494   0.949
   18    H    LEU   3           HN       LEU   3   2.466  -5.041   2.278
   19    HA   LEU   3           HA       LEU   3   3.860  -3.225   2.384
   20    HB2  LEU   3           HB2      LEU   3   2.365  -2.220  -0.051
   21    HB3  LEU   3           HB1      LEU   3   3.962  -1.723   0.494
   22    HG   LEU   3           HG       LEU   3   3.223  -4.530  -0.378
   23   HD11  LEU   3          HD11      LEU   3   3.270  -2.740  -2.172
   24   HD12  LEU   3          HD12      LEU   3   4.428  -4.051  -2.407
   25   HD13  LEU   3          HD13      LEU   3   4.970  -2.493  -1.784
   26   HD21  LEU   3          HD21      LEU   3   5.022  -4.802   1.107
   27   HD22  LEU   3          HD22      LEU   3   5.743  -3.248   0.686
   28   HD23  LEU   3          HD23      LEU   3   5.852  -4.605  -0.434
   29    H    LEU   4           HN       LEU   4   0.570  -3.058   2.787
   30    HA   LEU   4           HA       LEU   4   0.075  -0.306   3.106
   31    HB2  LEU   4           HB2      LEU   4  -1.734  -1.924   2.938
   32    HB3  LEU   4           HB1      LEU   4  -1.209  -2.705   4.427
   33    HG   LEU   4           HG       LEU   4  -1.738  -0.687   5.714
   34   HD11  LEU   4          HD11      LEU   4  -2.217   0.462   2.963
   35   HD12  LEU   4          HD12      LEU   4  -1.299   1.149   4.305
   36   HD13  LEU   4          HD13      LEU   4  -3.058   1.130   4.362
   37   HD21  LEU   4          HD21      LEU   4  -3.585  -2.191   5.482
   38   HD22  LEU   4          HD22      LEU   4  -3.890  -1.668   3.826
   39   HD23  LEU   4          HD23      LEU   4  -4.232  -0.580   5.171
   40    H    SER   5           HN       SER   5   1.128  -2.785   5.414
   41    HA   SER   5           HA       SER   5   1.041  -1.192   7.716
   42    HB2  SER   5           HB2      SER   5   2.902  -3.510   7.185
   43    HB3  SER   5           HB1      SER   5   2.398  -2.903   8.761
   44    HG   SER   5           HG       SER   5   1.236  -4.776   7.559
   45    H    TYR   6           HN       TYR   6   3.501  -1.428   5.231
   46    HA   TYR   6           HA       TYR   6   5.713  -0.430   6.596
   47    HB2  TYR   6           HB2      TYR   6   4.822  -0.203   3.726
   48    HB3  TYR   6           HB1      TYR   6   6.313   0.557   4.276
   49    HD1  TYR   6           HD2      TYR   6   4.519  -2.735   4.565
   50    HD2  TYR   6           HD1      TYR   6   8.285  -0.702   4.172
   51    HE1  TYR   6           HE2      TYR   6   5.684  -4.917   4.456
   52    HE2  TYR   6           HE1      TYR   6   9.450  -2.888   4.062
   53    HH   TYR   6           HH       TYR   6   8.788  -5.372   5.001
   54    H    GLY   7           HN       GLY   7   3.036   1.360   5.075
   55    HA2  GLY   7           HA2      GLY   7   2.543   3.406   6.608
   56    HA3  GLY   7           HA1      GLY   7   4.159   3.895   6.106
   57    H    ALA   8           HN       ALA   8   1.822   2.221   4.065
   58    HA   ALA   8           HA       ALA   8   2.120   4.031   1.913
   59    HB1  ALA   8           HB1      ALA   8   0.022   1.960   2.552
   60    HB2  ALA   8           HB2      ALA   8   1.354   1.835   1.406
   61    HB3  ALA   8           HB3      ALA   8  -0.007   2.902   1.066
   62    H    GLY   9           HN       GLY   9   0.184   4.071   4.751
   63    HA2  GLY   9           HA2      GLY   9  -0.911   6.692   4.032
   64    HA3  GLY   9           HA1      GLY   9  -2.065   5.423   4.442
   65    H    VAL  10           HN       VAL  10   0.965   5.193   5.962
   66    HA   VAL  10           HA       VAL  10   1.594   5.313   8.171
   67    HB   VAL  10           HB       VAL  10  -0.063   7.843   8.060
   68   HG11  VAL  10          HG11      VAL  10   1.925   6.733  10.027
   69   HG12  VAL  10          HG12      VAL  10   0.443   7.640  10.325
   70   HG13  VAL  10          HG13      VAL  10   1.883   8.476   9.760
   71   HG21  VAL  10          HG21      VAL  10   2.829   7.271   7.350
   72   HG22  VAL  10          HG22      VAL  10   2.165   8.894   7.534
   73   HG23  VAL  10          HG23      VAL  10   1.560   7.832   6.262
   74    H    ALA  11           HN       ALA  11  -1.275   4.376   7.284
   75    HA   ALA  11           HA       ALA  11  -2.808   4.619   9.726
   76    HB1  ALA  11           HB1      ALA  11  -3.248   2.831   7.322
   77    HB2  ALA  11           HB2      ALA  11  -3.879   4.471   7.488
   78    HB3  ALA  11           HB3      ALA  11  -4.428   3.200   8.580
   79    H    SER  12           HN       SER  12  -0.068   3.099   9.276
   80    HA   SER  12           HA       SER  12  -0.710   0.399  10.067
   81    HB2  SER  12           HB2      SER  12   1.689   0.052  10.065
   82    HB3  SER  12           HB1      SER  12   1.231   0.963   8.627
   83    HG   SER  12           HG       SER  12   1.645   2.817  10.286
   84    H    LEU  13           HN       LEU  13  -0.447   3.303  11.787
   85    HA   LEU  13           HA       LEU  13   0.320   1.877  14.274
   86    HB2  LEU  13           HB2      LEU  13   1.169   4.395  13.155
   87    HB3  LEU  13           HB1      LEU  13   0.358   4.723  14.679
   88    HG   LEU  13           HG       LEU  13   1.836   2.879  15.688
   89   HD11  LEU  13          HD11      LEU  13   3.261   3.328  13.046
   90   HD12  LEU  13          HD12      LEU  13   2.554   1.817  13.613
   91   HD13  LEU  13          HD13      LEU  13   3.965   2.489  14.428
   92   HD21  LEU  13          HD21      LEU  13   2.943   5.483  14.613
   93   HD22  LEU  13          HD22      LEU  13   3.853   4.453  15.719
   94   HD23  LEU  13          HD23      LEU  13   2.316   5.152  16.228
   95    HA   PRO  14           HA       PRO  14  -3.500   4.718  15.456
   96    HB2  PRO  14           HB2      PRO  14  -4.878   4.700  12.799
   97    HB3  PRO  14           HB1      PRO  14  -4.770   5.997  14.005
   98    HG2  PRO  14           HG2      PRO  14  -3.349   6.073  11.747
   99    HG3  PRO  14           HG1      PRO  14  -2.696   6.686  13.277
  100    HD2  PRO  14           HD2      PRO  14  -2.052   4.137  11.843
  101    HD3  PRO  14           HD1      PRO  14  -1.000   5.182  12.817
  102    H    LEU  15           HN       LEU  15  -3.958   2.336  12.833
  103    HA   LEU  15           HA       LEU  15  -6.321   1.177  13.859
  104    HB2  LEU  15           HB2      LEU  15  -4.167   0.076  12.048
  105    HB3  LEU  15           HB1      LEU  15  -5.663  -0.784  12.407
  106    HG   LEU  15           HG       LEU  15  -5.554   2.014  11.233
  107   HD11  LEU  15          HD11      LEU  15  -6.320   0.813   9.132
  108   HD12  LEU  15          HD12      LEU  15  -5.859  -0.696   9.919
  109   HD13  LEU  15          HD13      LEU  15  -4.638   0.533   9.582
  110   HD21  LEU  15          HD21      LEU  15  -7.991   1.151  10.575
  111   HD22  LEU  15          HD22      LEU  15  -7.691   1.853  12.158
  112   HD23  LEU  15          HD23      LEU  15  -7.762   0.101  11.972
  113    H    LEU  16           HN       LEU  16  -2.907   0.389  14.307
  114    HA   LEU  16           HA       LEU  16  -3.268  -1.960  15.837
  115    HB2  LEU  16           HB2      LEU  16  -1.030   0.026  15.503
  116    HB3  LEU  16           HB1      LEU  16  -0.901  -1.256  16.709
  117    HG   LEU  16           HG       LEU  16  -1.290  -2.953  14.988
  118   HD11  LEU  16          HD11      LEU  16  -2.702  -1.923  13.412
  119   HD12  LEU  16          HD12      LEU  16  -1.174  -2.093  12.552
  120   HD13  LEU  16          HD13      LEU  16  -1.639  -0.531  13.225
  121   HD21  LEU  16          HD21      LEU  16   0.884  -0.930  14.380
  122   HD22  LEU  16          HD22      LEU  16   0.798  -2.518  13.617
  123   HD23  LEU  16          HD23      LEU  16   1.015  -2.390  15.362
  124    H    ASN  17           HN       ASN  17  -3.031   1.455  16.700
  125    HA   ASN  17           HA       ASN  17  -2.932   1.163  19.499
  126    HB2  ASN  17           HB2      ASN  17  -2.441   3.278  18.335
  127    HB3  ASN  17           HB1      ASN  17  -4.134   3.402  17.858
  128   HD21  ASN  17          HD21      ASN  17  -4.664   5.271  19.123
  129   HD22  ASN  17          HD22      ASN  17  -4.616   5.274  20.819
  130    H    VAL  18           HN       VAL  18  -5.652   1.427  17.239
  131    HA   VAL  18           HA       VAL  18  -7.699   1.524  19.197
  132    HB   VAL  18           HB       VAL  18  -7.730   0.594  16.315
  133   HG11  VAL  18          HG11      VAL  18 -10.230   1.025  16.566
  134   HG12  VAL  18          HG12      VAL  18  -9.965   1.032  18.311
  135   HG13  VAL  18          HG13      VAL  18  -9.625  -0.421  17.371
  136   HG21  VAL  18          HG21      VAL  18  -8.772   3.154  17.559
  137   HG22  VAL  18          HG22      VAL  18  -8.575   2.796  15.843
  138   HG23  VAL  18          HG23      VAL  18  -7.156   3.010  16.867
  139    H    ILE  19           HN       ILE  19  -6.240  -1.132  17.361
  140    HA   ILE  19           HA       ILE  19  -7.840  -3.213  18.420
  141    HB   ILE  19           HB       ILE  19  -5.060  -3.227  17.221
  142   HG12  ILE  19          HG12      ILE  19  -7.694  -4.164  16.054
  143   HG13  ILE  19          HG11      ILE  19  -7.063  -2.532  15.814
  144   HG21  ILE  19          HG21      ILE  19  -5.640  -5.719  16.888
  145   HG22  ILE  19          HG22      ILE  19  -6.862  -5.475  18.136
  146   HG23  ILE  19          HG23      ILE  19  -5.159  -5.216  18.508
  147   HD11  ILE  19          HD11      ILE  19  -4.997  -3.476  14.842
  148   HD12  ILE  19          HD12      ILE  19  -6.421  -3.987  13.935
  149   HD13  ILE  19          HD13      ILE  19  -5.643  -5.102  15.059
  150    H    ALA  20           HN       ALA  20  -4.701  -1.871  19.353
  151    HA   ALA  20           HA       ALA  20  -4.318  -3.709  21.530
  152    HB1  ALA  20           HB1      ALA  20  -2.964  -1.089  20.843
  153    HB2  ALA  20           HB2      ALA  20  -2.379  -2.714  20.481
  154    HB3  ALA  20           HB3      ALA  20  -2.460  -2.156  22.153
  155    HN1  NH2  21           H2       NH2  21  -5.779  -0.167  23.027
  156    HN2  NH2  21           H1       NH2  21  -5.018  -0.169  21.509
  Start of MODEL   38
    1    H1   ACE   0           HA2      ACE   0   6.785  -4.842   0.742
    2    H2   ACE   0           HA3      ACE   0   8.247  -5.154  -0.193
    3    H3   ACE   0           HA1      ACE   0   6.727  -5.925  -0.649
    4    H    LEU   1           HN       LEU   1   6.638  -5.066  -2.728
    5    HA   LEU   1           HA       LEU   1   7.071  -2.354  -3.393
    6    HB2  LEU   1           HB2      LEU   1   5.456  -4.520  -4.746
    7    HB3  LEU   1           HB1      LEU   1   5.736  -2.935  -5.460
    8    HG   LEU   1           HG       LEU   1   7.965  -4.777  -4.545
    9   HD11  LEU   1          HD11      LEU   1   8.243  -5.384  -6.903
   10   HD12  LEU   1          HD12      LEU   1   6.873  -4.365  -7.345
   11   HD13  LEU   1          HD13      LEU   1   6.619  -5.806  -6.360
   12   HD21  LEU   1          HD21      LEU   1   7.830  -2.126  -5.978
   13   HD22  LEU   1          HD22      LEU   1   9.145  -3.235  -6.361
   14   HD23  LEU   1          HD23      LEU   1   8.937  -2.656  -4.713
   15    H    GLY   2           HN       GLY   2   4.144  -4.152  -2.539
   16    HA2  GLY   2           HA2      GLY   2   2.626  -1.598  -2.412
   17    HA3  GLY   2           HA1      GLY   2   1.912  -3.181  -2.709
   18    H    LEU   3           HN       LEU   3   3.540  -4.515  -0.712
   19    HA   LEU   3           HA       LEU   3   1.816  -4.263   1.499
   20    HB2  LEU   3           HB2      LEU   3   4.529  -5.567   1.246
   21    HB3  LEU   3           HB1      LEU   3   3.463  -5.751   2.639
   22    HG   LEU   3           HG       LEU   3   2.691  -6.436  -0.214
   23   HD11  LEU   3          HD11      LEU   3   3.030  -8.749   0.371
   24   HD12  LEU   3          HD12      LEU   3   3.372  -8.330   2.050
   25   HD13  LEU   3          HD13      LEU   3   4.506  -7.875   0.779
   26   HD21  LEU   3          HD21      LEU   3   0.933  -7.805   1.289
   27   HD22  LEU   3          HD22      LEU   3   0.639  -6.133   0.821
   28   HD23  LEU   3          HD23      LEU   3   1.261  -6.499   2.429
   29    H    LEU   4           HN       LEU   4   5.068  -2.965   0.904
   30    HA   LEU   4           HA       LEU   4   5.518  -1.982   3.505
   31    HB2  LEU   4           HB2      LEU   4   7.317  -2.140   1.861
   32    HB3  LEU   4           HB1      LEU   4   6.514  -0.954   0.837
   33    HG   LEU   4           HG       LEU   4   6.803   0.775   2.539
   34   HD11  LEU   4          HD11      LEU   4   7.815  -1.545   4.181
   35   HD12  LEU   4          HD12      LEU   4   6.648  -0.299   4.627
   36   HD13  LEU   4          HD13      LEU   4   8.361   0.097   4.527
   37   HD21  LEU   4          HD21      LEU   4   9.371  -0.775   2.092
   38   HD22  LEU   4          HD22      LEU   4   9.250   0.943   2.474
   39   HD23  LEU   4          HD23      LEU   4   8.645   0.337   0.932
   40    H    SER   5           HN       SER   5   4.225  -0.316   0.618
   41    HA   SER   5           HA       SER   5   3.676   2.132   1.954
   42    HB2  SER   5           HB2      SER   5   3.801   2.244  -0.403
   43    HB3  SER   5           HB1      SER   5   2.686   0.898  -0.612
   44    HG   SER   5           HG       SER   5   1.970   3.330   0.655
   45    H    TYR   6           HN       TYR   6   1.689  -0.671   1.147
   46    HA   TYR   6           HA       TYR   6  -0.766   0.276   2.136
   47    HB2  TYR   6           HB2      TYR   6  -0.706  -1.609   0.661
   48    HB3  TYR   6           HB1      TYR   6   0.329  -2.509   1.763
   49    HD1  TYR   6           HD2      TYR   6  -3.010  -0.796   1.675
   50    HD2  TYR   6           HD1      TYR   6  -0.653  -4.024   3.253
   51    HE1  TYR   6           HE2      TYR   6  -5.020  -1.718   2.799
   52    HE2  TYR   6           HE1      TYR   6  -2.658  -4.945   4.371
   53    HH   TYR   6           HH       TYR   6  -4.994  -4.862   4.316
   54    H    GLY   7           HN       GLY   7   1.785  -1.648   3.710
   55    HA2  GLY   7           HA2      GLY   7   0.334  -1.787   6.207
   56    HA3  GLY   7           HA1      GLY   7   1.966  -2.372   5.911
   57    H    ALA   8           HN       ALA   8   1.769   0.758   4.778
   58    HA   ALA   8           HA       ALA   8   3.150   1.773   7.173
   59    HB1  ALA   8           HB1      ALA   8   4.345   2.053   5.089
   60    HB2  ALA   8           HB2      ALA   8   3.835   3.635   5.676
   61    HB3  ALA   8           HB3      ALA   8   2.956   2.857   4.357
   62    H    GLY   9           HN       GLY   9   0.285   1.505   7.364
   63    HA2  GLY   9           HA2      GLY   9  -0.337   4.180   8.210
   64    HA3  GLY   9           HA1      GLY   9  -1.252   3.713   6.777
   65    H    VAL  10           HN       VAL  10  -1.462   0.984   7.321
   66    HA   VAL  10           HA       VAL  10  -3.497   1.008   9.450
   67    HB   VAL  10           HB       VAL  10  -3.899  -1.354   8.325
   68   HG11  VAL  10          HG11      VAL  10  -4.575   1.263   6.951
   69   HG12  VAL  10          HG12      VAL  10  -5.500   0.513   8.251
   70   HG13  VAL  10          HG13      VAL  10  -5.401  -0.271   6.674
   71   HG21  VAL  10          HG21      VAL  10  -2.658   0.148   6.021
   72   HG22  VAL  10          HG22      VAL  10  -3.200  -1.530   6.056
   73   HG23  VAL  10          HG23      VAL  10  -1.762  -1.049   6.955
   74    H    ALA  11           HN       ALA  11  -0.632  -0.773   8.344
   75    HA   ALA  11           HA       ALA  11   0.796  -2.211   9.429
   76    HB1  ALA  11           HB1      ALA  11   1.142  -0.247  10.874
   77    HB2  ALA  11           HB2      ALA  11   1.225  -1.743  11.803
   78    HB3  ALA  11           HB3      ALA  11  -0.224  -0.740  11.875
   79    H    SER  12           HN       SER  12  -1.620  -1.928  11.973
   80    HA   SER  12           HA       SER  12  -3.021  -4.330  11.439
   81    HB2  SER  12           HB2      SER  12  -0.791  -5.297  12.095
   82    HB3  SER  12           HB1      SER  12  -0.987  -4.541  13.674
   83    HG   SER  12           HG       SER  12  -3.224  -5.864  12.990
   84    H    LEU  13           HN       LEU  13  -3.403  -1.581  12.212
   85    HA   LEU  13           HA       LEU  13  -4.630  -0.282  13.637
   86    HB2  LEU  13           HB2      LEU  13  -5.799  -3.014  14.142
   87    HB3  LEU  13           HB1      LEU  13  -6.438  -1.570  14.919
   88    HG   LEU  13           HG       LEU  13  -7.650  -2.193  12.814
   89   HD11  LEU  13          HD11      LEU  13  -8.000  -0.002  12.171
   90   HD12  LEU  13          HD12      LEU  13  -6.291   0.416  12.213
   91   HD13  LEU  13          HD13      LEU  13  -7.202   0.268  13.717
   92   HD21  LEU  13          HD21      LEU  13  -5.188  -1.277  11.326
   93   HD22  LEU  13          HD22      LEU  13  -6.605  -2.116  10.698
   94   HD23  LEU  13          HD23      LEU  13  -5.449  -2.980  11.707
   95    HA   PRO  14           HA       PRO  14  -2.305  -1.659  17.466
   96    HB2  PRO  14           HB2      PRO  14   0.163  -0.622  17.199
   97    HB3  PRO  14           HB1      PRO  14  -0.276  -2.156  16.421
   98    HG2  PRO  14           HG2      PRO  14   0.023   0.552  15.216
   99    HG3  PRO  14           HG1      PRO  14   0.405  -1.035  14.531
  100    HD2  PRO  14           HD2      PRO  14  -1.958   0.453  14.029
  101    HD3  PRO  14           HD1      PRO  14  -1.684  -1.256  13.642
  102    H    LEU  15           HN       LEU  15  -1.397   1.406  15.892
  103    HA   LEU  15           HA       LEU  15  -1.394   2.981  18.235
  104    HB2  LEU  15           HB2      LEU  15  -1.629   3.673  15.304
  105    HB3  LEU  15           HB1      LEU  15  -1.508   4.893  16.568
  106    HG   LEU  15           HG       LEU  15   0.516   2.658  16.242
  107   HD11  LEU  15          HD11      LEU  15   0.659   3.854  14.192
  108   HD12  LEU  15          HD12      LEU  15   1.929   4.536  15.204
  109   HD13  LEU  15          HD13      LEU  15   0.412   5.408  14.988
  110   HD21  LEU  15          HD21      LEU  15   0.799   3.595  18.392
  111   HD22  LEU  15          HD22      LEU  15   0.370   5.216  17.850
  112   HD23  LEU  15          HD23      LEU  15   1.933   4.525  17.420
  113    H    LEU  16           HN       LEU  16  -3.845   2.350  15.774
  114    HA   LEU  16           HA       LEU  16  -5.771   4.203  16.667
  115    HB2  LEU  16           HB2      LEU  16  -5.890   1.658  15.069
  116    HB3  LEU  16           HB1      LEU  16  -7.377   2.480  15.525
  117    HG   LEU  16           HG       LEU  16  -6.464   3.118  13.254
  118   HD11  LEU  16          HD11      LEU  16  -7.215   5.303  13.423
  119   HD12  LEU  16          HD12      LEU  16  -6.383   5.601  14.945
  120   HD13  LEU  16          HD13      LEU  16  -7.865   4.647  14.921
  121   HD21  LEU  16          HD21      LEU  16  -4.477   4.445  13.087
  122   HD22  LEU  16          HD22      LEU  16  -4.055   3.043  14.070
  123   HD23  LEU  16          HD23      LEU  16  -4.354   4.601  14.842
  124    H    ASN  17           HN       ASN  17  -5.110   0.853  17.579
  125    HA   ASN  17           HA       ASN  17  -7.382   0.415  19.176
  126    HB2  ASN  17           HB2      ASN  17  -5.908  -1.402  18.483
  127    HB3  ASN  17           HB1      ASN  17  -4.594  -0.727  19.442
  128   HD21  ASN  17          HD21      ASN  17  -4.363  -2.098  21.221
  129   HD22  ASN  17          HD22      ASN  17  -5.644  -2.635  22.199
  130    H    VAL  18           HN       VAL  18  -4.216   1.816  19.962
  131    HA   VAL  18           HA       VAL  18  -4.598   2.004  22.755
  132    HB   VAL  18           HB       VAL  18  -2.925   3.668  20.858
  133   HG11  VAL  18          HG11      VAL  18  -3.083   3.628  23.881
  134   HG12  VAL  18          HG12      VAL  18  -3.249   5.019  22.810
  135   HG13  VAL  18          HG13      VAL  18  -1.678   4.243  23.010
  136   HG21  VAL  18          HG21      VAL  18  -1.128   2.239  21.504
  137   HG22  VAL  18          HG22      VAL  18  -2.484   1.158  21.186
  138   HG23  VAL  18          HG23      VAL  18  -2.049   1.563  22.847
  139    H    ILE  19           HN       ILE  19  -5.201   4.348  20.142
  140    HA   ILE  19           HA       ILE  19  -6.254   6.380  21.830
  141    HB   ILE  19           HB       ILE  19  -6.822   5.893  18.897
  142   HG12  ILE  19          HG12      ILE  19  -4.415   5.997  19.266
  143   HG13  ILE  19          HG11      ILE  19  -4.945   7.501  18.524
  144   HG21  ILE  19          HG21      ILE  19  -6.946   8.417  20.573
  145   HG22  ILE  19          HG22      ILE  19  -8.340   7.513  19.980
  146   HG23  ILE  19          HG23      ILE  19  -7.258   8.314  18.840
  147   HD11  ILE  19          HD11      ILE  19  -3.557   8.270  20.241
  148   HD12  ILE  19          HD12      ILE  19  -4.052   6.995  21.350
  149   HD13  ILE  19          HD13      ILE  19  -5.138   8.339  21.014
  150    H    ALA  20           HN       ALA  20  -7.737   3.783  19.929
  151    HA   ALA  20           HA       ALA  20 -10.427   4.483  20.545
  152    HB1  ALA  20           HB1      ALA  20 -11.033   2.458  19.494
  153    HB2  ALA  20           HB2      ALA  20  -9.486   1.700  19.872
  154    HB3  ALA  20           HB3      ALA  20  -9.572   2.971  18.653
  155    HN1  NH2  21           H2       NH2  21  -9.004   2.318  23.652
  156    HN2  NH2  21           H1       NH2  21  -7.980   2.859  22.411
  Start of MODEL   39
    1    H1   ACE   0           HA2      ACE   0  -0.112  -1.827   0.599
    2    H2   ACE   0           HA3      ACE   0   0.037  -1.779  -1.159
    3    H3   ACE   0           HA1      ACE   0   1.432  -1.406  -0.146
    4    H    LEU   1           HN       LEU   1   2.461  -3.099  -1.488
    5    HA   LEU   1           HA       LEU   1   1.682  -5.815  -1.389
    6    HB2  LEU   1           HB2      LEU   1   4.381  -4.513  -1.811
    7    HB3  LEU   1           HB1      LEU   1   4.096  -6.241  -1.995
    8    HG   LEU   1           HG       LEU   1   2.507  -4.143  -3.499
    9   HD11  LEU   1          HD11      LEU   1   3.996  -4.755  -5.438
   10   HD12  LEU   1          HD12      LEU   1   5.038  -5.607  -4.298
   11   HD13  LEU   1          HD13      LEU   1   4.815  -3.864  -4.155
   12   HD21  LEU   1          HD21      LEU   1   2.307  -6.239  -5.071
   13   HD22  LEU   1          HD22      LEU   1   1.313  -6.172  -3.622
   14   HD23  LEU   1          HD23      LEU   1   2.779  -7.151  -3.640
   15    H    GLY   2           HN       GLY   2   3.801  -3.849   0.637
   16    HA2  GLY   2           HA2      GLY   2   3.323  -5.032   3.054
   17    HA3  GLY   2           HA1      GLY   2   4.593  -6.024   2.343
   18    H    LEU   3           HN       LEU   3   6.027  -4.100   0.961
   19    HA   LEU   3           HA       LEU   3   7.121  -2.403   3.142
   20    HB2  LEU   3           HB2      LEU   3   8.535  -3.642   0.766
   21    HB3  LEU   3           HB1      LEU   3   9.285  -2.596   1.969
   22    HG   LEU   3           HG       LEU   3   7.932  -5.241   2.591
   23   HD11  LEU   3          HD11      LEU   3  10.857  -4.507   2.275
   24   HD12  LEU   3          HD12      LEU   3   9.940  -5.656   1.300
   25   HD13  LEU   3          HD13      LEU   3  10.291  -6.016   2.990
   26   HD21  LEU   3          HD21      LEU   3   9.337  -3.139   4.240
   27   HD22  LEU   3          HD22      LEU   3   9.423  -4.828   4.741
   28   HD23  LEU   3          HD23      LEU   3   7.859  -4.032   4.600
   29    H    LEU   4           HN       LEU   4   5.481  -2.395   0.223
   30    HA   LEU   4           HA       LEU   4   6.604  -0.197  -1.145
   31    HB2  LEU   4           HB2      LEU   4   4.953  -1.774  -2.103
   32    HB3  LEU   4           HB1      LEU   4   3.715  -1.100  -1.051
   33    HG   LEU   4           HG       LEU   4   5.319   0.660  -2.920
   34   HD11  LEU   4          HD11      LEU   4   3.516   0.414  -4.584
   35   HD12  LEU   4          HD12      LEU   4   2.739  -0.796  -3.566
   36   HD13  LEU   4          HD13      LEU   4   4.320  -1.126  -4.278
   37   HD21  LEU   4          HD21      LEU   4   2.812   1.749  -2.773
   38   HD22  LEU   4          HD22      LEU   4   4.114   2.162  -1.671
   39   HD23  LEU   4          HD23      LEU   4   2.904   0.983  -1.189
   40    H    SER   5           HN       SER   5   3.990  -0.392   1.249
   41    HA   SER   5           HA       SER   5   4.230   2.537   1.696
   42    HB2  SER   5           HB2      SER   5   2.071   2.011   0.730
   43    HB3  SER   5           HB1      SER   5   1.820   0.723   1.907
   44    HG   SER   5           HG       SER   5   0.781   2.463   2.732
   45    H    TYR   6           HN       TYR   6   3.852  -0.656   3.126
   46    HA   TYR   6           HA       TYR   6   4.096  -1.420   5.274
   47    HB2  TYR   6           HB2      TYR   6   6.360  -0.417   4.804
   48    HB3  TYR   6           HB1      TYR   6   5.814   1.035   5.642
   49    HD1  TYR   6           HD1      TYR   6   6.540  -2.576   6.026
   50    HD2  TYR   6           HD2      TYR   6   5.567   1.089   8.039
   51    HE1  TYR   6           HE1      TYR   6   7.076  -3.633   8.203
   52    HE2  TYR   6           HE2      TYR   6   6.101   0.035  10.220
   53    HH   TYR   6           HH       TYR   6   7.817  -2.209  10.803
   54    H    GLY   7           HN       GLY   7   2.319   1.123   4.511
   55    HA2  GLY   7           HA2      GLY   7   1.043   1.266   7.099
   56    HA3  GLY   7           HA1      GLY   7   1.801   2.774   6.593
   57    H    ALA   8           HN       ALA   8   0.638   0.749   4.065
   58    HA   ALA   8           HA       ALA   8  -1.145   2.717   3.081
   59    HB1  ALA   8           HB1      ALA   8  -0.514  -0.132   2.393
   60    HB2  ALA   8           HB2      ALA   8  -0.372   1.316   1.396
   61    HB3  ALA   8           HB3      ALA   8  -1.956   0.603   1.688
   62    H    GLY   9           HN       GLY   9  -1.497   0.491   5.602
   63    HA2  GLY   9           HA2      GLY   9  -4.064   1.278   6.325
   64    HA3  GLY   9           HA1      GLY   9  -4.249  -0.169   5.343
   65    H    VAL  10           HN       VAL  10  -1.583  -1.157   6.306
   66    HA   VAL  10           HA       VAL  10  -2.508  -2.784   8.415
   67    HB   VAL  10           HB       VAL  10   0.314  -2.159   7.524
   68   HG11  VAL  10          HG11      VAL  10   0.741  -4.425   8.658
   69   HG12  VAL  10          HG12      VAL  10  -0.812  -4.187   9.460
   70   HG13  VAL  10          HG13      VAL  10   0.502  -3.040   9.724
   71   HG21  VAL  10          HG21      VAL  10  -1.166  -3.202   5.814
   72   HG22  VAL  10          HG22      VAL  10  -1.515  -4.510   6.941
   73   HG23  VAL  10          HG23      VAL  10   0.123  -4.291   6.324
   74    H    ALA  11           HN       ALA  11  -0.404   0.081   8.417
   75    HA   ALA  11           HA       ALA  11   0.056   0.083  11.222
   76    HB1  ALA  11           HB1      ALA  11   1.587   1.293   9.854
   77    HB2  ALA  11           HB2      ALA  11   0.714   2.496  10.803
   78    HB3  ALA  11           HB3      ALA  11   0.287   2.228   9.113
   79    H    SER  12           HN       SER  12  -2.748   0.633   9.516
   80    HA   SER  12           HA       SER  12  -3.806   2.792  11.123
   81    HB2  SER  12           HB2      SER  12  -5.408   0.940   9.369
   82    HB3  SER  12           HB1      SER  12  -5.756   2.610   9.809
   83    HG   SER  12           HG       SER  12  -4.889   2.626   7.767
   84    H    LEU  13           HN       LEU  13  -3.316  -0.479  11.738
   85    HA   LEU  13           HA       LEU  13  -5.689  -0.658  13.498
   86    HB2  LEU  13           HB2      LEU  13  -4.349  -2.560  11.785
   87    HB3  LEU  13           HB1      LEU  13  -4.290  -3.160  13.439
   88    HG   LEU  13           HG       LEU  13  -6.863  -2.152  12.193
   89   HD11  LEU  13          HD11      LEU  13  -6.217  -3.937  10.751
   90   HD12  LEU  13          HD12      LEU  13  -7.342  -4.649  11.907
   91   HD13  LEU  13          HD13      LEU  13  -5.606  -4.901  12.095
   92   HD21  LEU  13          HD21      LEU  13  -6.210  -3.993  14.519
   93   HD22  LEU  13          HD22      LEU  13  -7.839  -3.610  13.967
   94   HD23  LEU  13          HD23      LEU  13  -6.817  -2.343  14.644
   95    HA   PRO  14           HA       PRO  14  -1.922  -1.956  16.365
   96    HB2  PRO  14           HB2      PRO  14   0.161  -0.249  15.050
   97    HB3  PRO  14           HB1      PRO  14   0.332  -1.835  15.831
   98    HG2  PRO  14           HG2      PRO  14   0.363  -1.583  13.174
   99    HG3  PRO  14           HG1      PRO  14  -0.397  -2.977  13.964
  100    HD2  PRO  14           HD2      PRO  14  -1.697  -0.611  12.670
  101    HD3  PRO  14           HD1      PRO  14  -2.247  -2.294  12.759
  102    H    LEU  15           HN       LEU  15  -1.638   1.271  14.844
  103    HA   LEU  15           HA       LEU  15  -1.251   2.691  17.264
  104    HB2  LEU  15           HB2      LEU  15  -2.243   3.560  14.546
  105    HB3  LEU  15           HB1      LEU  15  -1.927   4.686  15.863
  106    HG   LEU  15           HG       LEU  15   0.136   2.729  14.803
  107   HD11  LEU  15          HD11      LEU  15  -0.471   4.255  13.005
  108   HD12  LEU  15          HD12      LEU  15   1.103   4.730  13.648
  109   HD13  LEU  15          HD13      LEU  15  -0.342   5.638  14.092
  110   HD21  LEU  15          HD21      LEU  15   0.155   4.993  16.800
  111   HD22  LEU  15          HD22      LEU  15   1.620   4.640  15.888
  112   HD23  LEU  15          HD23      LEU  15   0.905   3.404  16.914
  113    H    LEU  16           HN       LEU  16  -4.127   2.001  15.329
  114    HA   LEU  16           HA       LEU  16  -5.945   3.527  16.858
  115    HB2  LEU  16           HB2      LEU  16  -6.222   1.231  14.936
  116    HB3  LEU  16           HB1      LEU  16  -7.632   1.813  15.817
  117    HG   LEU  16           HG       LEU  16  -7.273   2.859  13.529
  118   HD11  LEU  16          HD11      LEU  16  -8.451   3.950  15.641
  119   HD12  LEU  16          HD12      LEU  16  -8.159   4.898  14.190
  120   HD13  LEU  16          HD13      LEU  16  -7.080   5.058  15.570
  121   HD21  LEU  16          HD21      LEU  16  -5.492   4.397  13.177
  122   HD22  LEU  16          HD22      LEU  16  -4.735   2.981  13.903
  123   HD23  LEU  16          HD23      LEU  16  -5.058   4.408  14.884
  124    H    ASN  17           HN       ASN  17  -4.896   0.153  17.108
  125    HA   ASN  17           HA       ASN  17  -6.750  -0.663  19.062
  126    HB2  ASN  17           HB2      ASN  17  -5.298  -2.205  17.757
  127    HB3  ASN  17           HB1      ASN  17  -3.911  -1.638  18.683
  128   HD21  ASN  17          HD21      ASN  17  -7.055  -3.312  19.038
  129   HD22  ASN  17          HD22      ASN  17  -6.645  -4.104  20.482
  130    H    VAL  18           HN       VAL  18  -3.529   0.793  19.352
  131    HA   VAL  18           HA       VAL  18  -3.341   0.646  22.175
  132    HB   VAL  18           HB       VAL  18  -2.065   2.520  20.171
  133   HG11  VAL  18          HG11      VAL  18  -1.614   2.170  23.144
  134   HG12  VAL  18          HG12      VAL  18  -1.979   3.660  22.274
  135   HG13  VAL  18          HG13      VAL  18  -0.407   2.885  22.076
  136   HG21  VAL  18          HG21      VAL  18  -0.122   1.070  20.462
  137   HG22  VAL  18          HG22      VAL  18  -1.514   0.090  20.005
  138   HG23  VAL  18          HG23      VAL  18  -0.974   0.126  21.683
  139    H    ILE  19           HN       ILE  19  -4.448   3.198  19.976
  140    HA   ILE  19           HA       ILE  19  -5.094   5.105  21.967
  141    HB   ILE  19           HB       ILE  19  -6.131   4.710  19.151
  142   HG12  ILE  19          HG12      ILE  19  -4.197   6.756  20.270
  143   HG13  ILE  19          HG11      ILE  19  -3.678   5.232  19.550
  144   HG21  ILE  19          HG21      ILE  19  -7.807   6.009  20.223
  145   HG22  ILE  19          HG22      ILE  19  -6.751   7.201  19.465
  146   HG23  ILE  19          HG23      ILE  19  -6.622   6.883  21.196
  147   HD11  ILE  19          HD11      ILE  19  -5.291   7.404  18.181
  148   HD12  ILE  19          HD12      ILE  19  -4.893   5.844  17.461
  149   HD13  ILE  19          HD13      ILE  19  -3.609   6.987  17.856
  150    H    ALA  20           HN       ALA  20  -6.989   2.605  20.321
  151    HA   ALA  20           HA       ALA  20  -9.473   3.237  21.547
  152    HB1  ALA  20           HB1      ALA  20  -8.433   0.692  20.291
  153    HB2  ALA  20           HB2      ALA  20  -9.478   1.904  19.550
  154    HB3  ALA  20           HB3      ALA  20 -10.090   0.892  20.859
  155    HN1  NH2  21           H2       NH2  21  -7.767   0.331  23.907
  156    HN2  NH2  21           H1       NH2  21  -7.330   0.416  22.270
  Start of MODEL   40
    1    H1   ACE   0           HA2      ACE   0   6.816  -5.106  -2.723
    2    H2   ACE   0           HA3      ACE   0   6.855  -6.011  -4.237
    3    H3   ACE   0           HA1      ACE   0   5.693  -6.440  -2.981
    4    H    LEU   1           HN       LEU   1   3.696  -5.784  -3.392
    5    HA   LEU   1           HA       LEU   1   3.003  -3.995  -5.465
    6    HB2  LEU   1           HB2      LEU   1   1.432  -5.045  -3.105
    7    HB3  LEU   1           HB1      LEU   1   0.719  -4.070  -4.385
    8    HG   LEU   1           HG       LEU   1   2.226  -6.649  -4.902
    9   HD11  LEU   1          HD11      LEU   1   0.243  -7.072  -3.491
   10   HD12  LEU   1          HD12      LEU   1   0.019  -7.719  -5.116
   11   HD13  LEU   1          HD13      LEU   1  -0.764  -6.209  -4.653
   12   HD21  LEU   1          HD21      LEU   1   2.139  -5.522  -6.955
   13   HD22  LEU   1          HD22      LEU   1   0.605  -4.739  -6.583
   14   HD23  LEU   1          HD23      LEU   1   0.641  -6.446  -7.014
   15    H    GLY   2           HN       GLY   2   3.360  -3.613  -1.980
   16    HA2  GLY   2           HA2      GLY   2   4.086  -1.580  -0.963
   17    HA3  GLY   2           HA1      GLY   2   3.408  -0.680  -2.317
   18    H    LEU   3           HN       LEU   3   1.285  -3.046  -1.622
   19    HA   LEU   3           HA       LEU   3  -0.485  -1.233  -0.127
   20    HB2  LEU   3           HB2      LEU   3  -1.029  -3.864  -1.522
   21    HB3  LEU   3           HB1      LEU   3  -2.247  -2.871  -0.726
   22    HG   LEU   3           HG       LEU   3  -0.486  -1.921  -3.004
   23   HD11  LEU   3          HD11      LEU   3  -3.415  -2.698  -3.074
   24   HD12  LEU   3          HD12      LEU   3  -2.107  -3.747  -3.621
   25   HD13  LEU   3          HD13      LEU   3  -2.412  -2.217  -4.443
   26   HD21  LEU   3          HD21      LEU   3  -1.171   0.037  -1.929
   27   HD22  LEU   3          HD22      LEU   3  -2.680  -0.672  -1.358
   28   HD23  LEU   3          HD23      LEU   3  -2.509  -0.199  -3.048
   29    H    LEU   4           HN       LEU   4   1.774  -3.472   0.621
   30    HA   LEU   4           HA       LEU   4   0.266  -4.645   2.880
   31    HB2  LEU   4           HB2      LEU   4   1.769  -5.950   1.093
   32    HB3  LEU   4           HB1      LEU   4   3.063  -5.482   2.183
   33    HG   LEU   4           HG       LEU   4   2.301  -7.655   2.872
   34   HD11  LEU   4          HD11      LEU   4   0.914  -5.808   4.808
   35   HD12  LEU   4          HD12      LEU   4   2.670  -5.797   4.627
   36   HD13  LEU   4          HD13      LEU   4   1.848  -7.266   5.146
   37   HD21  LEU   4          HD21      LEU   4  -0.512  -6.741   3.417
   38   HD22  LEU   4          HD22      LEU   4   0.096  -8.349   3.037
   39   HD23  LEU   4          HD23      LEU   4  -0.080  -7.154   1.757
   40    H    SER   5           HN       SER   5   3.134  -2.762   2.040
   41    HA   SER   5           HA       SER   5   4.001  -2.500   4.789
   42    HB2  SER   5           HB2      SER   5   4.938  -1.144   2.256
   43    HB3  SER   5           HB1      SER   5   5.711  -0.983   3.832
   44    HG   SER   5           HG       SER   5   6.492  -2.677   2.285
   45    H    TYR   6           HN       TYR   6   1.602  -1.039   2.975
   46    HA   TYR   6           HA       TYR   6   1.832   1.676   3.647
   47    HB2  TYR   6           HB2      TYR   6  -0.413   1.902   2.949
   48    HB3  TYR   6           HB1      TYR   6   0.218   0.563   1.995
   49    HD1  TYR   6           HD1      TYR   6   0.008  -1.822   3.234
   50    HD2  TYR   6           HD2      TYR   6  -2.501   1.586   3.963
   51    HE1  TYR   6           HE1      TYR   6  -1.757  -3.314   4.129
   52    HE2  TYR   6           HE2      TYR   6  -4.266   0.095   4.861
   53    HH   TYR   6           HH       TYR   6  -4.960  -2.187   4.780
   54    H    GLY   7           HN       GLY   7   0.110  -0.951   5.343
   55    HA2  GLY   7           HA2      GLY   7  -0.104   0.808   7.734
   56    HA3  GLY   7           HA1      GLY   7  -1.267  -0.442   7.315
   57    H    ALA   8           HN       ALA   8   2.056  -1.223   6.797
   58    HA   ALA   8           HA       ALA   8   1.928  -3.389   8.657
   59    HB1  ALA   8           HB1      ALA   8   3.292  -3.649   6.696
   60    HB2  ALA   8           HB2      ALA   8   4.367  -3.649   8.094
   61    HB3  ALA   8           HB3      ALA   8   4.227  -2.205   7.092
   62    H    GLY   9           HN       GLY   9   1.313  -1.901  10.498
   63    HA2  GLY   9           HA2      GLY   9   1.966  -1.305  12.647
   64    HA3  GLY   9           HA1      GLY   9   3.642  -1.504  12.165
   65    H    VAL  10           HN       VAL  10   2.389   0.304   9.818
   66    HA   VAL  10           HA       VAL  10   3.732   2.672  10.576
   67    HB   VAL  10           HB       VAL  10   1.688   2.159   8.413
   68   HG11  VAL  10          HG11      VAL  10   3.450   4.540   9.021
   69   HG12  VAL  10          HG12      VAL  10   1.710   4.517   8.732
   70   HG13  VAL  10          HG13      VAL  10   2.829   4.228   7.400
   71   HG21  VAL  10          HG21      VAL  10   3.825   0.846   8.335
   72   HG22  VAL  10          HG22      VAL  10   4.712   2.370   8.298
   73   HG23  VAL  10          HG23      VAL  10   3.633   1.944   6.969
   74    H    ALA  11           HN       ALA  11   0.251   1.914  10.436
   75    HA   ALA  11           HA       ALA  11  -0.310   3.814  12.549
   76    HB1  ALA  11           HB1      ALA  11  -1.959   5.091  11.117
   77    HB2  ALA  11           HB2      ALA  11  -1.188   4.355   9.713
   78    HB3  ALA  11           HB3      ALA  11  -0.257   5.410  10.775
   79    H    SER  12           HN       SER  12  -1.415   1.544  10.121
   80    HA   SER  12           HA       SER  12  -4.099   1.308  10.924
   81    HB2  SER  12           HB2      SER  12  -3.136   0.449   8.783
   82    HB3  SER  12           HB1      SER  12  -2.361  -0.841   9.698
   83    HG   SER  12           HG       SER  12  -4.397  -1.472   8.855
   84    H    LEU  13           HN       LEU  13  -1.258   0.359  12.565
   85    HA   LEU  13           HA       LEU  13  -2.810  -1.552  14.223
   86    HB2  LEU  13           HB2      LEU  13  -0.284  -1.865  12.893
   87    HB3  LEU  13           HB1      LEU  13   0.015  -1.928  14.626
   88    HG   LEU  13           HG       LEU  13  -2.161  -3.565  13.287
   89   HD11  LEU  13          HD11      LEU  13  -0.564  -5.453  13.379
   90   HD12  LEU  13          HD12      LEU  13   0.700  -4.348  13.920
   91   HD13  LEU  13          HD13      LEU  13   0.008  -4.175  12.306
   92   HD21  LEU  13          HD21      LEU  13  -2.426  -3.312  15.693
   93   HD22  LEU  13          HD22      LEU  13  -0.730  -3.703  15.961
   94   HD23  LEU  13          HD23      LEU  13  -1.836  -4.941  15.370
   95    HA   PRO  14           HA       PRO  14  -0.203   0.945  17.402
   96    HB2  PRO  14           HB2      PRO  14   0.688   3.370  15.940
   97    HB3  PRO  14           HB1      PRO  14   1.624   2.283  16.983
   98    HG2  PRO  14           HG2      PRO  14   1.962   2.341  14.322
   99    HG3  PRO  14           HG1      PRO  14   2.128   0.844  15.258
  100    HD2  PRO  14           HD2      PRO  14  -0.188   1.761  13.577
  101    HD3  PRO  14           HD1      PRO  14   0.522   0.152  13.718
  102    H    LEU  15           HN       LEU  15  -1.240   3.477  15.102
  103    HA   LEU  15           HA       LEU  15  -2.661   4.992  17.018
  104    HB2  LEU  15           HB2      LEU  15  -2.825   4.910  14.000
  105    HB3  LEU  15           HB1      LEU  15  -3.686   6.086  14.988
  106    HG   LEU  15           HG       LEU  15  -0.682   5.679  15.092
  107   HD11  LEU  15          HD11      LEU  15  -1.238   6.464  12.877
  108   HD12  LEU  15          HD12      LEU  15  -0.616   7.836  13.791
  109   HD13  LEU  15          HD13      LEU  15  -2.351   7.667  13.528
  110   HD21  LEU  15          HD21      LEU  15  -1.218   6.782  17.081
  111   HD22  LEU  15          HD22      LEU  15  -2.625   7.586  16.389
  112   HD23  LEU  15          HD23      LEU  15  -1.003   8.158  16.006
  113    H    LEU  16           HN       LEU  16  -3.673   2.525  14.706
  114    HA   LEU  16           HA       LEU  16  -6.447   2.758  15.084
  115    HB2  LEU  16           HB2      LEU  16  -5.376   1.497  13.235
  116    HB3  LEU  16           HB1      LEU  16  -4.842   0.287  14.398
  117    HG   LEU  16           HG       LEU  16  -7.209  -0.172  14.990
  118   HD11  LEU  16          HD11      LEU  16  -8.866   0.778  13.149
  119   HD12  LEU  16          HD12      LEU  16  -7.660   2.059  13.016
  120   HD13  LEU  16          HD13      LEU  16  -8.460   1.753  14.559
  121   HD21  LEU  16          HD21      LEU  16  -7.824  -1.182  12.742
  122   HD22  LEU  16          HD22      LEU  16  -6.208  -1.585  13.319
  123   HD23  LEU  16          HD23      LEU  16  -6.418  -0.356  12.071
  124    H    ASN  17           HN       ASN  17  -4.003   0.789  16.737
  125    HA   ASN  17           HA       ASN  17  -5.772  -0.653  18.401
  126    HB2  ASN  17           HB2      ASN  17  -2.850   0.066  18.593
  127    HB3  ASN  17           HB1      ASN  17  -3.654  -0.810  19.895
  128   HD21  ASN  17          HD21      ASN  17  -1.578  -2.065  18.437
  129   HD22  ASN  17          HD22      ASN  17  -2.242  -3.306  17.488
  130    H    VAL  18           HN       VAL  18  -4.119   2.454  18.820
  131    HA   VAL  18           HA       VAL  18  -4.896   2.899  21.506
  132    HB   VAL  18           HB       VAL  18  -4.193   4.831  19.283
  133   HG11  VAL  18          HG11      VAL  18  -4.747   5.266  22.224
  134   HG12  VAL  18          HG12      VAL  18  -5.459   6.107  20.847
  135   HG13  VAL  18          HG13      VAL  18  -3.772   6.390  21.276
  136   HG21  VAL  18          HG21      VAL  18  -2.018   4.866  20.296
  137   HG22  VAL  18          HG22      VAL  18  -2.463   3.167  20.143
  138   HG23  VAL  18          HG23      VAL  18  -2.590   3.975  21.705
  139    H    ILE  19           HN       ILE  19  -6.341   3.846  18.405
  140    HA   ILE  19           HA       ILE  19  -8.536   5.276  19.479
  141    HB   ILE  19           HB       ILE  19  -8.175   3.837  16.838
  142   HG12  ILE  19          HG12      ILE  19  -8.159   6.797  17.480
  143   HG13  ILE  19          HG11      ILE  19  -6.694   5.817  17.436
  144   HG21  ILE  19          HG21      ILE  19 -10.091   5.391  16.147
  145   HG22  ILE  19          HG22      ILE  19 -10.394   5.619  17.870
  146   HG23  ILE  19          HG23      ILE  19 -10.537   4.013  17.155
  147   HD11  ILE  19          HD11      ILE  19  -7.314   7.062  15.272
  148   HD12  ILE  19          HD12      ILE  19  -8.624   5.891  15.113
  149   HD13  ILE  19          HD13      ILE  19  -6.947   5.343  15.123
  150    H    ALA  20           HN       ALA  20  -8.102   1.902  18.500
  151    HA   ALA  20           HA       ALA  20 -10.776   1.080  19.003
  152    HB1  ALA  20           HB1      ALA  20  -8.283  -0.631  19.101
  153    HB2  ALA  20           HB2      ALA  20  -9.105  -0.174  17.610
  154    HB3  ALA  20           HB3      ALA  20  -9.936  -1.172  18.804
  155    HN1  NH2  21           H2       NH2  21  -8.687   0.682  22.508
  156    HN2  NH2  21           H1       NH2  21  -7.846   1.034  21.076
  Start of MODEL   41
    1    H1   ACE   0           HA2      ACE   0   3.718  -4.294   2.465
    2    H2   ACE   0           HA3      ACE   0   2.617  -5.599   2.020
    3    H3   ACE   0           HA1      ACE   0   2.703  -4.142   1.030
    4    H    LEU   1           HN       LEU   1   3.290  -5.195  -0.870
    5    HA   LEU   1           HA       LEU   1   5.319  -7.141  -1.108
    6    HB2  LEU   1           HB2      LEU   1   4.169  -5.178  -3.097
    7    HB3  LEU   1           HB1      LEU   1   5.316  -6.437  -3.538
    8    HG   LEU   1           HG       LEU   1   2.708  -7.020  -2.108
    9   HD11  LEU   1          HD11      LEU   1   1.846  -7.681  -4.353
   10   HD12  LEU   1          HD12      LEU   1   3.310  -7.020  -5.081
   11   HD13  LEU   1          HD13      LEU   1   2.184  -5.954  -4.241
   12   HD21  LEU   1          HD21      LEU   1   3.194  -9.284  -3.360
   13   HD22  LEU   1          HD22      LEU   1   4.084  -8.921  -1.886
   14   HD23  LEU   1          HD23      LEU   1   4.847  -8.679  -3.456
   15    H    GLY   2           HN       GLY   2   5.376  -3.610  -1.430
   16    HA2  GLY   2           HA2      GLY   2   8.328  -3.682  -1.165
   17    HA3  GLY   2           HA1      GLY   2   7.566  -2.700  -2.410
   18    H    LEU   3           HN       LEU   3   6.130  -3.136   0.751
   19    HA   LEU   3           HA       LEU   3   5.444  -1.539   2.269
   20    HB2  LEU   3           HB2      LEU   3   8.358  -0.775   1.978
   21    HB3  LEU   3           HB1      LEU   3   7.318  -0.390   3.350
   22    HG   LEU   3           HG       LEU   3   7.994  -3.200   2.418
   23   HD11  LEU   3          HD11      LEU   3   9.329  -3.280   4.522
   24   HD12  LEU   3          HD12      LEU   3   9.009  -1.562   4.762
   25   HD13  LEU   3          HD13      LEU   3   9.953  -2.098   3.371
   26   HD21  LEU   3          HD21      LEU   3   5.920  -3.390   3.517
   27   HD22  LEU   3          HD22      LEU   3   6.275  -2.068   4.630
   28   HD23  LEU   3          HD23      LEU   3   7.058  -3.634   4.840
   29    H    LEU   4           HN       LEU   4   5.230  -0.821  -0.586
   30    HA   LEU   4           HA       LEU   4   5.882   1.911  -0.980
   31    HB2  LEU   4           HB2      LEU   4   3.702   0.168  -2.156
   32    HB3  LEU   4           HB1      LEU   4   4.031   1.808  -2.704
   33    HG   LEU   4           HG       LEU   4   6.119  -0.391  -2.643
   34   HD11  LEU   4          HD11      LEU   4   4.377   0.568  -4.932
   35   HD12  LEU   4          HD12      LEU   4   4.323  -1.025  -4.177
   36   HD13  LEU   4          HD13      LEU   4   5.745  -0.533  -5.099
   37   HD21  LEU   4          HD21      LEU   4   6.033   2.453  -3.649
   38   HD22  LEU   4          HD22      LEU   4   7.059   1.281  -4.474
   39   HD23  LEU   4          HD23      LEU   4   7.312   1.621  -2.767
   40    H    SER   5           HN       SER   5   3.111   0.216   0.341
   41    HA   SER   5           HA       SER   5   1.939   2.768   1.278
   42    HB2  SER   5           HB2      SER   5   0.703   0.871  -0.201
   43    HB3  SER   5           HB1      SER   5   0.356   0.248   1.408
   44    HG   SER   5           HG       SER   5  -0.693   2.367   0.117
   45    H    TYR   6           HN       TYR   6   3.947   0.417   2.241
   46    HA   TYR   6           HA       TYR   6   4.545  -0.553   4.229
   47    HB2  TYR   6           HB2      TYR   6   5.017   1.828   4.663
   48    HB3  TYR   6           HB1      TYR   6   3.387   2.027   5.303
   49    HD1  TYR   6           HD2      TYR   6   6.522   0.039   5.749
   50    HD2  TYR   6           HD1      TYR   6   2.927   1.525   7.574
   51    HE1  TYR   6           HE2      TYR   6   7.302  -0.782   7.955
   52    HE2  TYR   6           HE1      TYR   6   3.709   0.705   9.780
   53    HH   TYR   6           HH       TYR   6   5.291  -1.084  10.618
   54    H    GLY   7           HN       GLY   7   2.342  -1.717   3.388
   55    HA2  GLY   7           HA2      GLY   7   0.735  -3.161   4.223
   56    HA3  GLY   7           HA1      GLY   7   1.024  -2.498   5.829
   57    H    ALA   8           HN       ALA   8   0.445  -0.244   3.322
   58    HA   ALA   8           HA       ALA   8  -1.242   1.285   3.001
   59    HB1  ALA   8           HB1      ALA   8  -2.267  -0.781   2.046
   60    HB2  ALA   8           HB2      ALA   8  -3.448   0.368   2.675
   61    HB3  ALA   8           HB3      ALA   8  -3.031  -1.069   3.607
   62    H    GLY   9           HN       GLY   9  -0.485   0.217   5.935
   63    HA2  GLY   9           HA2      GLY   9  -0.834   1.231   7.991
   64    HA3  GLY   9           HA1      GLY   9  -2.079   2.231   7.251
   65    H    VAL  10           HN       VAL  10  -2.143  -1.242   6.930
   66    HA   VAL  10           HA       VAL  10  -4.777  -1.465   7.926
   67    HB   VAL  10           HB       VAL  10  -2.620  -3.529   7.439
   68   HG11  VAL  10          HG11      VAL  10  -4.630  -5.131   7.501
   69   HG12  VAL  10          HG12      VAL  10  -5.486  -3.846   8.354
   70   HG13  VAL  10          HG13      VAL  10  -4.034  -4.554   9.058
   71   HG21  VAL  10          HG21      VAL  10  -3.780  -3.942   5.401
   72   HG22  VAL  10          HG22      VAL  10  -3.715  -2.186   5.535
   73   HG23  VAL  10          HG23      VAL  10  -5.200  -3.044   5.936
   74    H    ALA  11           HN       ALA  11  -1.627  -2.218   9.400
   75    HA   ALA  11           HA       ALA  11  -2.821  -2.998  11.913
   76    HB1  ALA  11           HB1      ALA  11   0.018  -2.558  10.992
   77    HB2  ALA  11           HB2      ALA  11  -0.779  -4.085  11.372
   78    HB3  ALA  11           HB3      ALA  11  -0.380  -2.952  12.664
   79    H    SER  12           HN       SER  12  -1.970  -0.059  10.432
   80    HA   SER  12           HA       SER  12  -1.288   1.427  12.787
   81    HB2  SER  12           HB2      SER  12  -0.562   2.126  10.534
   82    HB3  SER  12           HB1      SER  12  -2.242   2.400  10.085
   83    HG   SER  12           HG       SER  12  -0.565   4.023  11.374
   84    H    LEU  13           HN       LEU  13  -4.141   0.049  11.886
   85    HA   LEU  13           HA       LEU  13  -5.845   2.256  12.821
   86    HB2  LEU  13           HB2      LEU  13  -6.225  -0.156  11.146
   87    HB3  LEU  13           HB1      LEU  13  -7.571   0.193  12.226
   88    HG   LEU  13           HG       LEU  13  -7.605   2.539  11.334
   89   HD11  LEU  13          HD11      LEU  13  -5.856   1.563   9.076
   90   HD12  LEU  13          HD12      LEU  13  -5.131   2.291  10.506
   91   HD13  LEU  13          HD13      LEU  13  -6.265   3.215   9.528
   92   HD21  LEU  13          HD21      LEU  13  -8.775   1.961   9.321
   93   HD22  LEU  13          HD22      LEU  13  -9.012   0.615  10.435
   94   HD23  LEU  13          HD23      LEU  13  -7.838   0.480   9.127
   95    HA   PRO  14           HA       PRO  14  -7.268  -1.116  15.944
   96    HB2  PRO  14           HB2      PRO  14  -5.713  -3.407  16.107
   97    HB3  PRO  14           HB1      PRO  14  -7.179  -3.262  15.117
   98    HG2  PRO  14           HG2      PRO  14  -4.319  -2.957  14.297
   99    HG3  PRO  14           HG1      PRO  14  -5.632  -3.832  13.486
  100    HD2  PRO  14           HD2      PRO  14  -4.891  -1.403  12.631
  101    HD3  PRO  14           HD1      PRO  14  -6.608  -1.868  12.660
  102    H    LEU  15           HN       LEU  15  -3.739  -1.054  15.426
  103    HA   LEU  15           HA       LEU  15  -2.991  -1.271  18.133
  104    HB2  LEU  15           HB2      LEU  15  -1.601   0.021  15.780
  105    HB3  LEU  15           HB1      LEU  15  -0.847  -0.190  17.358
  106    HG   LEU  15           HG       LEU  15  -2.030  -2.461  15.734
  107   HD11  LEU  15          HD11      LEU  15   0.281  -3.032  15.137
  108   HD12  LEU  15          HD12      LEU  15   0.874  -1.625  16.021
  109   HD13  LEU  15          HD13      LEU  15  -0.109  -1.407  14.573
  110   HD21  LEU  15          HD21      LEU  15  -0.281  -3.668  17.367
  111   HD22  LEU  15          HD22      LEU  15  -1.919  -3.310  17.897
  112   HD23  LEU  15          HD23      LEU  15  -0.591  -2.252  18.370
  113    H    LEU  16           HN       LEU  16  -3.633   1.568  16.111
  114    HA   LEU  16           HA       LEU  16  -2.981   3.481  18.108
  115    HB2  LEU  16           HB2      LEU  16  -4.469   3.559  15.501
  116    HB3  LEU  16           HB1      LEU  16  -4.559   4.951  16.579
  117    HG   LEU  16           HG       LEU  16  -2.110   5.104  16.620
  118   HD11  LEU  16          HD11      LEU  16  -0.896   3.631  14.863
  119   HD12  LEU  16          HD12      LEU  16  -2.320   2.597  14.956
  120   HD13  LEU  16          HD13      LEU  16  -1.348   2.885  16.396
  121   HD21  LEU  16          HD21      LEU  16  -1.798   5.487  14.056
  122   HD22  LEU  16          HD22      LEU  16  -3.014   6.441  14.904
  123   HD23  LEU  16          HD23      LEU  16  -3.502   5.047  13.940
  124    H    ASN  17           HN       ASN  17  -5.990   1.858  17.209
  125    HA   ASN  17           HA       ASN  17  -7.737   3.373  18.816
  126    HB2  ASN  17           HB2      ASN  17  -8.566   1.837  17.112
  127    HB3  ASN  17           HB1      ASN  17  -7.894   0.465  17.991
  128   HD21  ASN  17          HD21      ASN  17 -10.258   3.151  18.385
  129   HD22  ASN  17          HD22      ASN  17 -11.267   2.300  19.454
  130    H    VAL  18           HN       VAL  18  -5.796   0.491  19.520
  131    HA   VAL  18           HA       VAL  18  -6.789   0.059  22.141
  132    HB   VAL  18           HB       VAL  18  -4.148  -0.673  20.852
  133   HG11  VAL  18          HG11      VAL  18  -3.720  -0.703  23.194
  134   HG12  VAL  18          HG12      VAL  18  -4.113  -2.372  22.781
  135   HG13  VAL  18          HG13      VAL  18  -5.321  -1.346  23.556
  136   HG21  VAL  18          HG21      VAL  18  -6.361  -1.638  19.987
  137   HG22  VAL  18          HG22      VAL  18  -6.506  -2.435  21.554
  138   HG23  VAL  18          HG23      VAL  18  -5.147  -2.813  20.497
  139    H    ILE  19           HN       ILE  19  -3.979   1.830  20.895
  140    HA   ILE  19           HA       ILE  19  -2.979   2.671  23.405
  141    HB   ILE  19           HB       ILE  19  -2.668   3.832  20.629
  142   HG12  ILE  19          HG12      ILE  19  -0.724   2.264  22.340
  143   HG13  ILE  19          HG11      ILE  19  -1.787   1.509  21.153
  144   HG21  ILE  19          HG21      ILE  19  -1.396   4.571  23.271
  145   HG22  ILE  19          HG22      ILE  19  -2.183   5.637  22.107
  146   HG23  ILE  19          HG23      ILE  19  -0.615   4.925  21.729
  147   HD11  ILE  19          HD11      ILE  19  -0.815   3.055  19.415
  148   HD12  ILE  19          HD12      ILE  19   0.345   1.908  20.084
  149   HD13  ILE  19          HD13      ILE  19   0.355   3.587  20.623
  150    H    ALA  20           HN       ALA  20  -5.177   4.175  21.073
  151    HA   ALA  20           HA       ALA  20  -5.538   6.541  22.715
  152    HB1  ALA  20           HB1      ALA  20  -7.179   7.188  20.993
  153    HB2  ALA  20           HB2      ALA  20  -7.013   5.601  20.242
  154    HB3  ALA  20           HB3      ALA  20  -5.642   6.712  20.272
  155    HN1  NH2  21           H2       NH2  21  -8.839   4.107  22.976
  156    HN2  NH2  21           H1       NH2  21  -7.843   3.990  21.609
  Start of MODEL   42
    1    H1   ACE   0           HA2      ACE   0   2.609  -8.907   4.948
    2    H2   ACE   0           HA3      ACE   0   2.021  -7.267   4.678
    3    H3   ACE   0           HA1      ACE   0   3.710  -7.539   5.107
    4    H    LEU   1           HN       LEU   1   5.121  -7.554   3.479
    5    HA   LEU   1           HA       LEU   1   5.865  -7.285   1.297
    6    HB2  LEU   1           HB2      LEU   1   4.412  -9.934   1.216
    7    HB3  LEU   1           HB1      LEU   1   5.544  -9.387  -0.018
    8    HG   LEU   1           HG       LEU   1   6.245  -9.630   2.921
    9   HD11  LEU   1          HD11      LEU   1   5.745 -11.847   2.114
   10   HD12  LEU   1          HD12      LEU   1   7.501 -11.688   2.158
   11   HD13  LEU   1          HD13      LEU   1   6.643 -11.565   0.623
   12   HD21  LEU   1          HD21      LEU   1   7.772  -8.938   0.413
   13   HD22  LEU   1          HD22      LEU   1   8.610  -9.759   1.729
   14   HD23  LEU   1          HD23      LEU   1   7.853  -8.196   2.011
   15    H    GLY   2           HN       GLY   2   3.279  -5.997   1.768
   16    HA2  GLY   2           HA2      GLY   2   2.606  -5.149  -0.764
   17    HA3  GLY   2           HA1      GLY   2   1.565  -6.538  -0.468
   18    H    LEU   3           HN       LEU   3   1.451  -5.976   2.441
   19    HA   LEU   3           HA       LEU   3  -0.736  -4.051   2.343
   20    HB2  LEU   3           HB2      LEU   3   0.348  -5.637   4.682
   21    HB3  LEU   3           HB1      LEU   3  -1.175  -4.753   4.635
   22    HG   LEU   3           HG       LEU   3  -0.466  -7.082   2.823
   23   HD11  LEU   3          HD11      LEU   3  -1.921  -8.414   4.183
   24   HD12  LEU   3          HD12      LEU   3  -2.475  -7.005   5.086
   25   HD13  LEU   3          HD13      LEU   3  -0.825  -7.592   5.292
   26   HD21  LEU   3          HD21      LEU   3  -2.874  -5.278   3.094
   27   HD22  LEU   3          HD22      LEU   3  -3.068  -6.933   2.514
   28   HD23  LEU   3          HD23      LEU   3  -2.048  -5.805   1.627
   29    H    LEU   4           HN       LEU   4   2.554  -3.886   2.768
   30    HA   LEU   4           HA       LEU   4   2.842  -2.084   4.924
   31    HB2  LEU   4           HB2      LEU   4   4.534  -2.561   2.467
   32    HB3  LEU   4           HB1      LEU   4   5.025  -1.520   3.799
   33    HG   LEU   4           HG       LEU   4   4.247  -4.432   4.145
   34   HD11  LEU   4          HD11      LEU   4   6.725  -4.803   4.365
   35   HD12  LEU   4          HD12      LEU   4   6.974  -3.155   3.790
   36   HD13  LEU   4          HD13      LEU   4   6.216  -4.350   2.738
   37   HD21  LEU   4          HD21      LEU   4   5.338  -2.278   5.956
   38   HD22  LEU   4          HD22      LEU   4   5.773  -3.958   6.262
   39   HD23  LEU   4          HD23      LEU   4   4.083  -3.473   6.276
   40    H    SER   5           HN       SER   5   2.322  -1.556   1.460
   41    HA   SER   5           HA       SER   5   2.707   1.226   1.430
   42    HB2  SER   5           HB2      SER   5   2.613  -0.163  -0.599
   43    HB3  SER   5           HB1      SER   5   0.894  -0.436  -0.330
   44    HG   SER   5           HG       SER   5   0.520   1.728  -0.645
   45    H    TYR   6           HN       TYR   6   0.027  -0.636   2.620
   46    HA   TYR   6           HA       TYR   6  -2.030   1.276   2.323
   47    HB2  TYR   6           HB2      TYR   6  -1.593  -0.970   4.288
   48    HB3  TYR   6           HB1      TYR   6  -3.013   0.068   4.374
   49    HD1  TYR   6           HD1      TYR   6  -1.042  -1.816   1.784
   50    HD2  TYR   6           HD2      TYR   6  -4.919  -0.637   3.211
   51    HE1  TYR   6           HE1      TYR   6  -2.108  -3.149  -0.012
   52    HE2  TYR   6           HE2      TYR   6  -5.985  -1.969   1.411
   53    HH   TYR   6           HH       TYR   6  -5.510  -2.934  -0.687
   54    H    GLY   7           HN       GLY   7   0.347   0.759   4.910
   55    HA2  GLY   7           HA2      GLY   7   1.057   3.140   5.725
   56    HA3  GLY   7           HA1      GLY   7  -0.604   3.177   6.306
   57    H    ALA   8           HN       ALA   8   2.060   0.792   6.313
   58    HA   ALA   8           HA       ALA   8   1.321  -0.075   8.998
   59    HB1  ALA   8           HB1      ALA   8   1.982  -1.752   7.329
   60    HB2  ALA   8           HB2      ALA   8   3.107  -1.742   8.689
   61    HB3  ALA   8           HB3      ALA   8   3.558  -0.976   7.164
   62    H    GLY   9           HN       GLY   9   2.988   2.486   7.855
   63    HA2  GLY   9           HA2      GLY   9   4.886   2.515  10.147
   64    HA3  GLY   9           HA1      GLY   9   5.270   3.209   8.574
   65    H    VAL  10           HN       VAL  10   2.212   3.890   8.656
   66    HA   VAL  10           HA       VAL  10   2.514   6.629   9.273
   67    HB   VAL  10           HB       VAL  10   0.018   4.943   8.988
   68   HG11  VAL  10          HG11      VAL  10  -1.022   7.216   8.507
   69   HG12  VAL  10          HG12      VAL  10   0.444   7.934   9.175
   70   HG13  VAL  10          HG13      VAL  10  -0.587   6.928  10.191
   71   HG21  VAL  10          HG21      VAL  10   1.508   5.060   6.993
   72   HG22  VAL  10          HG22      VAL  10   1.419   6.819   7.058
   73   HG23  VAL  10          HG23      VAL  10  -0.032   5.874   6.723
   74    H    ALA  11           HN       ALA  11   1.122   3.912  11.055
   75    HA   ALA  11           HA       ALA  11   1.118   3.598  13.374
   76    HB1  ALA  11           HB1      ALA  11   1.229   6.558  13.900
   77    HB2  ALA  11           HB2      ALA  11   2.703   5.692  13.459
   78    HB3  ALA  11           HB3      ALA  11   1.801   5.223  14.900
   79    H    SER  12           HN       SER  12  -0.757   5.627  11.427
   80    HA   SER  12           HA       SER  12  -2.928   5.955  13.354
   81    HB2  SER  12           HB2      SER  12  -2.947   6.616  10.408
   82    HB3  SER  12           HB1      SER  12  -4.015   7.242  11.660
   83    HG   SER  12           HG       SER  12  -2.518   8.611  12.238
   84    H    LEU  13           HN       LEU  13  -1.856   3.556  11.254
   85    HA   LEU  13           HA       LEU  13  -4.581   2.441  10.922
   86    HB2  LEU  13           HB2      LEU  13  -2.230   2.586   9.157
   87    HB3  LEU  13           HB1      LEU  13  -2.915   0.965   9.240
   88    HG   LEU  13           HG       LEU  13  -5.163   1.952   8.718
   89   HD11  LEU  13          HD11      LEU  13  -3.481   4.458   8.507
   90   HD12  LEU  13          HD12      LEU  13  -4.949   4.212   9.452
   91   HD13  LEU  13          HD13      LEU  13  -5.037   4.302   7.694
   92   HD21  LEU  13          HD21      LEU  13  -4.548   2.558   6.318
   93   HD22  LEU  13          HD22      LEU  13  -3.943   1.001   6.886
   94   HD23  LEU  13          HD23      LEU  13  -2.860   2.390   6.801
   95    HA   PRO  14           HA       PRO  14  -2.186  -1.279  12.561
   96    HB2  PRO  14           HB2      PRO  14   0.410  -1.129  13.315
   97    HB3  PRO  14           HB1      PRO  14  -0.072  -1.324  11.617
   98    HG2  PRO  14           HG2      PRO  14   0.867   1.115  13.046
   99    HG3  PRO  14           HG1      PRO  14   1.174   0.594  11.381
  100    HD2  PRO  14           HD2      PRO  14  -0.746   2.496  12.148
  101    HD3  PRO  14           HD1      PRO  14  -0.713   1.645  10.592
  102    H    LEU  15           HN       LEU  15  -0.369   1.243  14.345
  103    HA   LEU  15           HA       LEU  15  -0.843   0.125  16.887
  104    HB2  LEU  15           HB2      LEU  15  -0.073   2.920  16.040
  105    HB3  LEU  15           HB1      LEU  15  -0.132   2.401  17.724
  106    HG   LEU  15           HG       LEU  15   1.514   1.008  15.590
  107   HD11  LEU  15          HD11      LEU  15   2.217   3.217  17.527
  108   HD12  LEU  15          HD12      LEU  15   2.475   3.168  15.782
  109   HD13  LEU  15          HD13      LEU  15   3.443   2.149  16.846
  110   HD21  LEU  15          HD21      LEU  15   1.148   0.672  18.562
  111   HD22  LEU  15          HD22      LEU  15   2.730   0.327  17.864
  112   HD23  LEU  15          HD23      LEU  15   1.314  -0.557  17.309
  113    H    LEU  16           HN       LEU  16  -2.531   2.656  15.081
  114    HA   LEU  16           HA       LEU  16  -4.276   3.457  17.134
  115    HB2  LEU  16           HB2      LEU  16  -3.964   4.748  15.065
  116    HB3  LEU  16           HB1      LEU  16  -4.727   3.458  14.139
  117    HG   LEU  16           HG       LEU  16  -6.828   3.787  15.383
  118   HD11  LEU  16          HD11      LEU  16  -6.857   6.030  16.770
  119   HD12  LEU  16          HD12      LEU  16  -5.124   5.738  16.923
  120   HD13  LEU  16          HD13      LEU  16  -6.278   4.548  17.527
  121   HD21  LEU  16          HD21      LEU  16  -7.305   6.130  14.553
  122   HD22  LEU  16          HD22      LEU  16  -6.584   5.061  13.352
  123   HD23  LEU  16          HD23      LEU  16  -5.591   6.270  14.164
  124    H    ASN  17           HN       ASN  17  -4.514   0.891  14.710
  125    HA   ASN  17           HA       ASN  17  -7.184   0.139  15.194
  126    HB2  ASN  17           HB2      ASN  17  -5.941  -0.649  13.245
  127    HB3  ASN  17           HB1      ASN  17  -4.844  -1.552  14.286
  128   HD21  ASN  17          HD21      ASN  17  -6.212  -3.026  12.386
  129   HD22  ASN  17          HD22      ASN  17  -7.435  -3.946  13.120
  130    H    VAL  18           HN       VAL  18  -4.151  -0.842  16.744
  131    HA   VAL  18           HA       VAL  18  -5.191  -2.925  18.331
  132    HB   VAL  18           HB       VAL  18  -2.862  -1.049  18.800
  133   HG11  VAL  18          HG11      VAL  18  -3.436  -1.904  20.953
  134   HG12  VAL  18          HG12      VAL  18  -2.131  -2.936  20.371
  135   HG13  VAL  18          HG13      VAL  18  -3.798  -3.503  20.303
  136   HG21  VAL  18          HG21      VAL  18  -1.572  -3.093  18.114
  137   HG22  VAL  18          HG22      VAL  18  -2.595  -2.451  16.830
  138   HG23  VAL  18          HG23      VAL  18  -3.103  -3.879  17.732
  139    H    ILE  19           HN       ILE  19  -4.771   0.544  19.000
  140    HA   ILE  19           HA       ILE  19  -5.866   0.467  21.622
  141    HB   ILE  19           HB       ILE  19  -5.811   2.787  19.678
  142   HG12  ILE  19          HG12      ILE  19  -3.563   1.884  19.939
  143   HG13  ILE  19          HG11      ILE  19  -3.685   3.389  20.843
  144   HG21  ILE  19          HG21      ILE  19  -7.259   3.269  21.532
  145   HG22  ILE  19          HG22      ILE  19  -5.735   4.103  21.835
  146   HG23  ILE  19          HG23      ILE  19  -6.103   2.601  22.684
  147   HD11  ILE  19          HD11      ILE  19  -4.317   1.806  22.856
  148   HD12  ILE  19          HD12      ILE  19  -2.630   1.990  22.389
  149   HD13  ILE  19          HD13      ILE  19  -3.536   0.570  21.873
  150    H    ALA  20           HN       ALA  20  -7.239   1.143  18.429
  151    HA   ALA  20           HA       ALA  20  -9.897   1.592  19.466
  152    HB1  ALA  20           HB1      ALA  20  -8.833   1.218  16.659
  153    HB2  ALA  20           HB2      ALA  20  -9.265   2.739  17.443
  154    HB3  ALA  20           HB3      ALA  20 -10.521   1.570  17.034
  155    HN1  NH2  21           H2       NH2  21  -9.382  -2.320  18.727
  156    HN2  NH2  21           H1       NH2  21  -8.082  -1.236  18.839
  Start of MODEL   43
    1    H1   ACE   0           HA2      ACE   0   6.177  -6.354  -0.920
    2    H2   ACE   0           HA3      ACE   0   6.356  -4.669  -0.430
    3    H3   ACE   0           HA1      ACE   0   7.630  -5.456  -1.361
    4    H    LEU   1           HN       LEU   1   4.187  -5.834  -1.965
    5    HA   LEU   1           HA       LEU   1   4.408  -5.290  -4.729
    6    HB2  LEU   1           HB2      LEU   1   2.028  -5.354  -2.868
    7    HB3  LEU   1           HB1      LEU   1   1.880  -5.152  -4.611
    8    HG   LEU   1           HG       LEU   1   3.349  -7.477  -3.329
    9   HD11  LEU   1          HD11      LEU   1   1.001  -7.520  -2.622
   10   HD12  LEU   1          HD12      LEU   1   1.303  -8.798  -3.799
   11   HD13  LEU   1          HD13      LEU   1   0.478  -7.322  -4.296
   12   HD21  LEU   1          HD21      LEU   1   4.042  -7.391  -5.574
   13   HD22  LEU   1          HD22      LEU   1   2.499  -6.756  -6.136
   14   HD23  LEU   1          HD23      LEU   1   2.642  -8.451  -5.681
   15    H    GLY   2           HN       GLY   2   3.378  -3.292  -1.990
   16    HA2  GLY   2           HA2      GLY   2   4.307  -0.872  -2.691
   17    HA3  GLY   2           HA1      GLY   2   2.867  -0.991  -3.698
   18    H    LEU   3           HN       LEU   3   1.475  -2.634  -1.652
   19    HA   LEU   3           HA       LEU   3   0.467  -0.417  -0.040
   20    HB2  LEU   3           HB2      LEU   3  -0.465  -3.282  -0.343
   21    HB3  LEU   3           HB1      LEU   3  -1.281  -2.060   0.628
   22    HG   LEU   3           HG       LEU   3  -0.737  -1.796  -2.346
   23   HD11  LEU   3          HD11      LEU   3  -3.212  -2.657  -0.828
   24   HD12  LEU   3          HD12      LEU   3  -2.310  -3.597  -2.016
   25   HD13  LEU   3          HD13      LEU   3  -3.226  -2.178  -2.524
   26   HD21  LEU   3          HD21      LEU   3  -2.694  -0.050  -1.937
   27   HD22  LEU   3          HD22      LEU   3  -1.030   0.401  -1.590
   28   HD23  LEU   3          HD23      LEU   3  -2.102  -0.077  -0.275
   29    H    LEU   4           HN       LEU   4   2.869  -2.688   0.273
   30    HA   LEU   4           HA       LEU   4   2.551  -3.623   2.917
   31    HB2  LEU   4           HB2      LEU   4   4.238  -4.325   1.064
   32    HB3  LEU   4           HB1      LEU   4   5.235  -3.011   1.677
   33    HG   LEU   4           HG       LEU   4   4.133  -5.247   3.411
   34   HD11  LEU   4          HD11      LEU   4   6.840  -4.945   2.084
   35   HD12  LEU   4          HD12      LEU   4   5.644  -6.203   1.772
   36   HD13  LEU   4          HD13      LEU   4   6.467  -6.137   3.330
   37   HD21  LEU   4          HD21      LEU   4   5.877  -2.849   3.891
   38   HD22  LEU   4          HD22      LEU   4   6.295  -4.334   4.744
   39   HD23  LEU   4          HD23      LEU   4   4.703  -3.622   4.955
   40    H    SER   5           HN       SER   5   4.126  -0.743   1.584
   41    HA   SER   5           HA       SER   5   4.940   0.251   4.168
   42    HB2  SER   5           HB2      SER   5   6.238   0.758   2.139
   43    HB3  SER   5           HB1      SER   5   4.857   1.624   1.473
   44    HG   SER   5           HG       SER   5   6.717   2.616   2.977
   45    H    TYR   6           HN       TYR   6   1.976   0.054   2.722
   46    HA   TYR   6           HA       TYR   6   0.842   2.601   3.025
   47    HB2  TYR   6           HB2      TYR   6  -0.261   0.679   1.894
   48    HB3  TYR   6           HB1      TYR   6  -0.511  -0.069   3.471
   49    HD1  TYR   6           HD1      TYR   6  -2.058   0.927   5.115
   50    HD2  TYR   6           HD2      TYR   6  -1.545   2.606   1.196
   51    HE1  TYR   6           HE1      TYR   6  -4.135   2.250   5.409
   52    HE2  TYR   6           HE2      TYR   6  -3.619   3.930   1.489
   53    HH   TYR   6           HH       TYR   6  -4.962   4.669   4.185
   54    H    GLY   7           HN       GLY   7   1.000  -0.114   5.328
   55    HA2  GLY   7           HA2      GLY   7   0.161   1.708   7.508
   56    HA3  GLY   7           HA1      GLY   7   0.054  -0.053   7.552
   57    H    ALA   8           HN       ALA   8   2.930   0.831   6.108
   58    HA   ALA   8           HA       ALA   8   5.123   0.770   6.776
   59    HB1  ALA   8           HB1      ALA   8   4.192   2.694   8.237
   60    HB2  ALA   8           HB2      ALA   8   5.727   1.962   8.703
   61    HB3  ALA   8           HB3      ALA   8   4.245   1.523   9.554
   62    H    GLY   9           HN       GLY   9   2.697  -1.105   8.047
   63    HA2  GLY   9           HA2      GLY   9   4.097  -3.448   8.339
   64    HA3  GLY   9           HA1      GLY   9   4.046  -2.710   9.946
   65    H    VAL  10           HN       VAL  10   1.694  -1.436   9.979
   66    HA   VAL  10           HA       VAL  10  -0.461  -3.229   9.179
   67    HB   VAL  10           HB       VAL  10   0.017  -2.511  12.073
   68   HG11  VAL  10          HG11      VAL  10  -2.136  -4.027  10.593
   69   HG12  VAL  10          HG12      VAL  10  -2.319  -2.652  11.680
   70   HG13  VAL  10          HG13      VAL  10  -1.868  -4.230  12.326
   71   HG21  VAL  10          HG21      VAL  10   0.411  -5.065  10.510
   72   HG22  VAL  10          HG22      VAL  10   0.283  -5.030  12.268
   73   HG23  VAL  10          HG23      VAL  10   1.606  -4.185  11.461
   74    H    ALA  11           HN       ALA  11  -0.252  -0.769  11.728
   75    HA   ALA  11           HA       ALA  11  -1.282   1.258  12.006
   76    HB1  ALA  11           HB1      ALA  11  -0.050   1.685   9.819
   77    HB2  ALA  11           HB2      ALA  11  -1.444   2.714  10.144
   78    HB3  ALA  11           HB3      ALA  11  -1.587   1.372   9.011
   79    H    SER  12           HN       SER  12  -2.795  -1.361  10.534
   80    HA   SER  12           HA       SER  12  -5.437  -0.122  10.356
   81    HB2  SER  12           HB2      SER  12  -6.161  -2.258   9.476
   82    HB3  SER  12           HB1      SER  12  -4.675  -1.785   8.660
   83    HG   SER  12           HG       SER  12  -5.089  -3.723  10.669
   84    H    LEU  13           HN       LEU  13  -3.598  -1.141  12.836
   85    HA   LEU  13           HA       LEU  13  -5.923  -1.687  14.500
   86    HB2  LEU  13           HB2      LEU  13  -4.215  -3.799  13.558
   87    HB3  LEU  13           HB1      LEU  13  -3.957  -3.640  15.289
   88    HG   LEU  13           HG       LEU  13  -6.730  -3.806  14.074
   89   HD11  LEU  13          HD11      LEU  13  -5.009  -6.051  15.170
   90   HD12  LEU  13          HD12      LEU  13  -5.452  -5.833  13.477
   91   HD13  LEU  13          HD13      LEU  13  -6.696  -6.194  14.675
   92   HD21  LEU  13          HD21      LEU  13  -5.781  -4.553  16.850
   93   HD22  LEU  13          HD22      LEU  13  -7.431  -4.237  16.311
   94   HD23  LEU  13          HD23      LEU  13  -6.279  -2.910  16.451
   95    HA   PRO  14           HA       PRO  14  -2.009  -0.904  17.328
   96    HB2  PRO  14           HB2      PRO  14  -0.312   0.489  15.283
   97    HB3  PRO  14           HB1      PRO  14   0.180  -0.551  16.637
   98    HG2  PRO  14           HG2      PRO  14   0.228  -1.483  14.167
   99    HG3  PRO  14           HG1      PRO  14  -0.357  -2.504  15.496
  100    HD2  PRO  14           HD2      PRO  14  -1.941  -1.032  13.414
  101    HD3  PRO  14           HD1      PRO  14  -2.212  -2.657  14.086
  102    H    LEU  15           HN       LEU  15  -2.563   1.407  14.649
  103    HA   LEU  15           HA       LEU  15  -2.442   3.738  16.257
  104    HB2  LEU  15           HB2      LEU  15  -3.812   3.212  13.612
  105    HB3  LEU  15           HB1      LEU  15  -3.689   4.806  14.350
  106    HG   LEU  15           HG       LEU  15  -1.309   3.049  13.673
  107   HD11  LEU  15          HD11      LEU  15  -2.687   3.927  11.707
  108   HD12  LEU  15          HD12      LEU  15  -0.985   4.389  11.723
  109   HD13  LEU  15          HD13      LEU  15  -2.218   5.545  12.226
  110   HD21  LEU  15          HD21      LEU  15  -1.646   5.782  14.899
  111   HD22  LEU  15          HD22      LEU  15  -0.246   5.486  13.869
  112   HD23  LEU  15          HD23      LEU  15  -0.498   4.506  15.309
  113    H    LEU  16           HN       LEU  16  -5.110   1.665  15.225
  114    HA   LEU  16           HA       LEU  16  -7.208   3.205  16.327
  115    HB2  LEU  16           HB2      LEU  16  -7.146   0.203  15.963
  116    HB3  LEU  16           HB1      LEU  16  -8.573   1.239  16.029
  117    HG   LEU  16           HG       LEU  16  -6.409   1.336  13.904
  118   HD11  LEU  16          HD11      LEU  16  -7.838  -0.629  13.675
  119   HD12  LEU  16          HD12      LEU  16  -8.245   0.540  12.420
  120   HD13  LEU  16          HD13      LEU  16  -9.283   0.369  13.835
  121   HD21  LEU  16          HD21      LEU  16  -7.208   3.543  14.031
  122   HD22  LEU  16          HD22      LEU  16  -8.840   3.035  14.469
  123   HD23  LEU  16          HD23      LEU  16  -8.266   2.835  12.813
  124    H    ASN  17           HN       ASN  17  -5.169   0.645  17.645
  125    HA   ASN  17           HA       ASN  17  -6.551   0.228  20.060
  126    HB2  ASN  17           HB2      ASN  17  -4.698  -1.203  19.135
  127    HB3  ASN  17           HB1      ASN  17  -3.561   0.039  19.657
  128   HD21  ASN  17          HD21      ASN  17  -2.551  -1.152  21.363
  129   HD22  ASN  17          HD22      ASN  17  -3.394  -1.674  22.742
  130    H    VAL  18           HN       VAL  18  -4.012   2.540  19.176
  131    HA   VAL  18           HA       VAL  18  -3.591   3.613  21.756
  132    HB   VAL  18           HB       VAL  18  -3.256   4.844  19.010
  133   HG11  VAL  18          HG11      VAL  18  -3.433   6.677  20.538
  134   HG12  VAL  18          HG12      VAL  18  -1.706   6.417  20.291
  135   HG13  VAL  18          HG13      VAL  18  -2.483   5.835  21.763
  136   HG21  VAL  18          HG21      VAL  18  -1.220   3.735  20.966
  137   HG22  VAL  18          HG22      VAL  18  -0.911   4.292  19.321
  138   HG23  VAL  18          HG23      VAL  18  -1.864   2.832  19.594
  139    H    ILE  19           HN       ILE  19  -5.740   4.584  19.100
  140    HA   ILE  19           HA       ILE  19  -6.897   6.814  20.412
  141    HB   ILE  19           HB       ILE  19  -7.949   5.003  18.224
  142   HG12  ILE  19          HG12      ILE  19  -5.929   6.255  17.611
  143   HG13  ILE  19          HG11      ILE  19  -7.323   6.885  16.744
  144   HG21  ILE  19          HG21      ILE  19  -9.887   6.000  19.137
  145   HG22  ILE  19          HG22      ILE  19  -9.462   7.036  17.775
  146   HG23  ILE  19          HG23      ILE  19  -9.069   7.536  19.419
  147   HD11  ILE  19          HD11      ILE  19  -7.410   8.543  18.859
  148   HD12  ILE  19          HD12      ILE  19  -6.398   8.875  17.459
  149   HD13  ILE  19          HD13      ILE  19  -5.692   8.153  18.902
  150    H    ALA  20           HN       ALA  20  -7.812   3.403  20.177
  151    HA   ALA  20           HA       ALA  20 -10.176   3.710  21.792
  152    HB1  ALA  20           HB1      ALA  20 -10.115   1.182  21.790
  153    HB2  ALA  20           HB2      ALA  20  -8.643   1.292  20.823
  154    HB3  ALA  20           HB3      ALA  20 -10.161   1.926  20.191
  155    HN1  NH2  21           H2       NH2  21  -6.979   2.892  24.143
  156    HN2  NH2  21           H1       NH2  21  -6.791   3.188  22.482
  Start of MODEL   44
    1    H1   ACE   0           HA2      ACE   0   6.818  -1.110  -2.568
    2    H2   ACE   0           HA3      ACE   0   5.065  -1.161  -2.383
    3    H3   ACE   0           HA1      ACE   0   5.779  -1.137  -3.995
    4    H    LEU   1           HN       LEU   1   4.122  -3.111  -3.805
    5    HA   LEU   1           HA       LEU   1   3.792  -5.400  -3.695
    6    HB2  LEU   1           HB2      LEU   1   6.674  -5.209  -4.580
    7    HB3  LEU   1           HB1      LEU   1   5.720  -6.686  -4.660
    8    HG   LEU   1           HG       LEU   1   4.899  -4.090  -5.995
    9   HD11  LEU   1          HD11      LEU   1   5.643  -5.298  -8.103
   10   HD12  LEU   1          HD12      LEU   1   6.425  -6.481  -7.055
   11   HD13  LEU   1          HD13      LEU   1   6.957  -4.800  -7.035
   12   HD21  LEU   1          HD21      LEU   1   3.584  -5.894  -7.395
   13   HD22  LEU   1          HD22      LEU   1   2.953  -5.411  -5.827
   14   HD23  LEU   1          HD23      LEU   1   3.846  -6.922  -5.986
   15    H    GLY   2           HN       GLY   2   4.765  -4.052  -1.226
   16    HA2  GLY   2           HA2      GLY   2   5.625  -6.480   0.207
   17    HA3  GLY   2           HA1      GLY   2   6.574  -5.006   0.405
   18    H    LEU   3           HN       LEU   3   3.083  -5.187  -0.001
   19    HA   LEU   3           HA       LEU   3   1.385  -4.284   1.275
   20    HB2  LEU   3           HB2      LEU   3   2.978  -5.645   3.463
   21    HB3  LEU   3           HB1      LEU   3   1.293  -5.146   3.582
   22    HG   LEU   3           HG       LEU   3   2.373  -7.142   1.566
   23   HD11  LEU   3          HD11      LEU   3   0.661  -7.609   4.025
   24   HD12  LEU   3          HD12      LEU   3   2.397  -7.910   3.963
   25   HD13  LEU   3          HD13      LEU   3   1.304  -8.840   2.938
   26   HD21  LEU   3          HD21      LEU   3  -0.240  -7.597   1.506
   27   HD22  LEU   3          HD22      LEU   3   0.437  -6.277   0.561
   28   HD23  LEU   3          HD23      LEU   3  -0.346  -5.944   2.106
   29    H    LEU   4           HN       LEU   4   4.110  -2.844   1.067
   30    HA   LEU   4           HA       LEU   4   4.508  -1.336   3.421
   31    HB2  LEU   4           HB2      LEU   4   5.135  -0.785   0.519
   32    HB3  LEU   4           HB1      LEU   4   5.643   0.285   1.821
   33    HG   LEU   4           HG       LEU   4   6.287  -2.676   1.748
   34   HD11  LEU   4          HD11      LEU   4   7.352  -1.754  -0.179
   35   HD12  LEU   4          HD12      LEU   4   8.599  -1.862   1.063
   36   HD13  LEU   4          HD13      LEU   4   7.850  -0.308   0.698
   37   HD21  LEU   4          HD21      LEU   4   6.649  -2.012   3.955
   38   HD22  LEU   4          HD22      LEU   4   7.073  -0.359   3.510
   39   HD23  LEU   4          HD23      LEU   4   8.226  -1.668   3.257
   40    H    SER   5           HN       SER   5   2.530  -0.764   0.545
   41    HA   SER   5           HA       SER   5   1.673   1.847   1.203
   42    HB2  SER   5           HB2      SER   5  -0.132   1.415  -0.429
   43    HB3  SER   5           HB1      SER   5   1.444   0.926  -1.042
   44    HG   SER   5           HG       SER   5   0.512  -0.928  -1.334
   45    H    TYR   6           HN       TYR   6   0.243  -1.344   1.839
   46    HA   TYR   6           HA       TYR   6  -2.080  -0.348   3.152
   47    HB2  TYR   6           HB2      TYR   6  -0.690  -3.032   3.206
   48    HB3  TYR   6           HB1      TYR   6  -2.195  -2.715   4.068
   49    HD1  TYR   6           HD2      TYR   6  -4.261  -2.134   2.829
   50    HD2  TYR   6           HD1      TYR   6  -0.631  -3.206   0.794
   51    HE1  TYR   6           HE2      TYR   6  -5.539  -2.490   0.739
   52    HE2  TYR   6           HE1      TYR   6  -1.912  -3.560  -1.302
   53    HH   TYR   6           HH       TYR   6  -4.654  -2.381  -1.992
   54    H    GLY   7           HN       GLY   7   1.106  -1.397   4.277
   55    HA2  GLY   7           HA2      GLY   7   0.566  -1.213   7.056
   56    HA3  GLY   7           HA1      GLY   7   2.165  -1.178   6.312
   57    H    ALA   8           HN       ALA   8   1.593   1.088   4.613
   58    HA   ALA   8           HA       ALA   8   2.450   3.175   6.253
   59    HB1  ALA   8           HB1      ALA   8   0.930   3.557   3.674
   60    HB2  ALA   8           HB2      ALA   8   2.607   3.015   3.716
   61    HB3  ALA   8           HB3      ALA   8   2.172   4.600   4.361
   62    H    GLY   9           HN       GLY   9  -0.716   1.957   5.600
   63    HA2  GLY   9           HA2      GLY   9  -2.039   4.323   6.769
   64    HA3  GLY   9           HA1      GLY   9  -2.831   2.999   5.920
   65    H    VAL  10           HN       VAL  10  -2.246   0.776   7.062
   66    HA   VAL  10           HA       VAL  10  -3.582   0.793   9.555
   67    HB   VAL  10           HB       VAL  10  -1.922  -1.348   8.206
   68   HG11  VAL  10          HG11      VAL  10  -2.011  -1.885  10.555
   69   HG12  VAL  10          HG12      VAL  10  -3.236  -2.870   9.757
   70   HG13  VAL  10          HG13      VAL  10  -3.711  -1.426  10.652
   71   HG21  VAL  10          HG21      VAL  10  -4.158  -2.265   7.644
   72   HG22  VAL  10          HG22      VAL  10  -3.913  -0.662   6.951
   73   HG23  VAL  10          HG23      VAL  10  -4.911  -0.858   8.393
   74    H    ALA  11           HN       ALA  11  -0.145   0.444   8.706
   75    HA   ALA  11           HA       ALA  11   1.754   0.561   9.980
   76    HB1  ALA  11           HB1      ALA  11   1.129   2.845  10.396
   77    HB2  ALA  11           HB2      ALA  11   1.649   2.154  11.931
   78    HB3  ALA  11           HB3      ALA  11  -0.068   2.356  11.594
   79    H    SER  12           HN       SER  12   0.017  -1.651  10.371
   80    HA   SER  12           HA       SER  12  -0.152  -3.488  11.736
   81    HB2  SER  12           HB2      SER  12   1.712  -2.174  13.698
   82    HB3  SER  12           HB1      SER  12   1.521  -3.885  13.330
   83    HG   SER  12           HG       SER  12   3.395  -2.940  12.362
   84    H    LEU  13           HN       LEU  13  -1.627  -0.810  12.195
   85    HA   LEU  13           HA       LEU  13  -3.203   0.032  13.640
   86    HB2  LEU  13           HB2      LEU  13  -3.943  -2.429  13.179
   87    HB3  LEU  13           HB1      LEU  13  -3.404  -2.730  14.827
   88    HG   LEU  13           HG       LEU  13  -4.901  -0.582  15.365
   89   HD11  LEU  13          HD11      LEU  13  -6.866  -0.441  13.914
   90   HD12  LEU  13          HD12      LEU  13  -6.225  -1.716  12.879
   91   HD13  LEU  13          HD13      LEU  13  -5.412  -0.153  12.959
   92   HD21  LEU  13          HD21      LEU  13  -6.136  -3.284  14.740
   93   HD22  LEU  13          HD22      LEU  13  -6.785  -2.072  15.846
   94   HD23  LEU  13          HD23      LEU  13  -5.272  -2.894  16.227
   95    HA   PRO  14           HA       PRO  14  -0.489   0.059  17.366
   96    HB2  PRO  14           HB2      PRO  14   0.939   2.323  16.913
   97    HB3  PRO  14           HB1      PRO  14   1.379   0.771  16.171
   98    HG2  PRO  14           HG2      PRO  14   0.197   3.164  14.919
   99    HG3  PRO  14           HG1      PRO  14   1.093   1.838  14.176
  100    HD2  PRO  14           HD2      PRO  14  -1.802   2.193  14.304
  101    HD3  PRO  14           HD1      PRO  14  -0.888   0.918  13.470
  102    H    LEU  15           HN       LEU  15  -1.034   3.368  16.214
  103    HA   LEU  15           HA       LEU  15  -1.949   4.341  18.697
  104    HB2  LEU  15           HB2      LEU  15  -2.183   5.464  15.896
  105    HB3  LEU  15           HB1      LEU  15  -2.639   6.351  17.349
  106    HG   LEU  15           HG       LEU  15   0.109   5.148  16.902
  107   HD11  LEU  15          HD11      LEU  15  -0.363   6.891  15.230
  108   HD12  LEU  15          HD12      LEU  15   0.840   7.450  16.393
  109   HD13  LEU  15          HD13      LEU  15  -0.830   8.008  16.511
  110   HD21  LEU  15          HD21      LEU  15   0.002   5.479  19.201
  111   HD22  LEU  15          HD22      LEU  15  -1.169   6.790  19.077
  112   HD23  LEU  15          HD23      LEU  15   0.527   7.086  18.706
  113    H    LEU  16           HN       LEU  16  -3.640   3.247  15.790
  114    HA   LEU  16           HA       LEU  16  -6.241   4.012  16.555
  115    HB2  LEU  16           HB2      LEU  16  -5.123   1.943  14.678
  116    HB3  LEU  16           HB1      LEU  16  -6.858   1.997  14.988
  117    HG   LEU  16           HG       LEU  16  -6.876   4.396  14.325
  118   HD11  LEU  16          HD11      LEU  16  -4.660   5.122  14.814
  119   HD12  LEU  16          HD12      LEU  16  -4.769   5.146  13.054
  120   HD13  LEU  16          HD13      LEU  16  -3.943   3.817  13.868
  121   HD21  LEU  16          HD21      LEU  16  -6.532   4.004  11.916
  122   HD22  LEU  16          HD22      LEU  16  -7.346   2.626  12.659
  123   HD23  LEU  16          HD23      LEU  16  -5.626   2.535  12.278
  124    H    ASN  17           HN       ASN  17  -4.343   1.092  17.216
  125    HA   ASN  17           HA       ASN  17  -6.417  -0.412  18.405
  126    HB2  ASN  17           HB2      ASN  17  -4.283  -1.432  17.757
  127    HB3  ASN  17           HB1      ASN  17  -3.440  -0.463  18.964
  128   HD21  ASN  17          HD21      ASN  17  -3.198  -3.216  19.222
  129   HD22  ASN  17          HD22      ASN  17  -4.129  -3.768  20.530
  130    H    VAL  18           HN       VAL  18  -4.078   1.893  19.741
  131    HA   VAL  18           HA       VAL  18  -4.841   1.617  22.459
  132    HB   VAL  18           HB       VAL  18  -3.608   3.963  20.993
  133   HG11  VAL  18          HG11      VAL  18  -4.031   3.389  23.934
  134   HG12  VAL  18          HG12      VAL  18  -4.556   4.807  23.025
  135   HG13  VAL  18          HG13      VAL  18  -2.842   4.554  23.356
  136   HG21  VAL  18          HG21      VAL  18  -2.288   1.857  20.959
  137   HG22  VAL  18          HG22      VAL  18  -2.367   1.791  22.720
  138   HG23  VAL  18          HG23      VAL  18  -1.505   3.110  21.923
  139    H    ILE  19           HN       ILE  19  -5.824   3.877  19.904
  140    HA   ILE  19           HA       ILE  19  -7.633   5.385  21.473
  141    HB   ILE  19           HB       ILE  19  -7.519   4.877  18.488
  142   HG12  ILE  19          HG12      ILE  19  -6.728   7.328  20.085
  143   HG13  ILE  19          HG11      ILE  19  -5.589   6.046  19.670
  144   HG21  ILE  19          HG21      ILE  19  -8.911   7.002  18.407
  145   HG22  ILE  19          HG22      ILE  19  -9.196   6.789  20.135
  146   HG23  ILE  19          HG23      ILE  19  -9.764   5.574  18.987
  147   HD11  ILE  19          HD11      ILE  19  -7.151   7.789  17.744
  148   HD12  ILE  19          HD12      ILE  19  -6.211   6.380  17.251
  149   HD13  ILE  19          HD13      ILE  19  -5.404   7.766  17.985
  150    H    ALA  20           HN       ALA  20  -8.032   2.543  19.397
  151    HA   ALA  20           HA       ALA  20 -10.871   2.345  19.942
  152    HB1  ALA  20           HB1      ALA  20  -9.898   1.617  17.783
  153    HB2  ALA  20           HB2      ALA  20 -10.778   0.323  18.594
  154    HB3  ALA  20           HB3      ALA  20  -9.015   0.346  18.629
  155    HN1  NH2  21           H2       NH2  21  -8.769   0.229  22.640
  156    HN2  NH2  21           H1       NH2  21  -8.047   1.400  21.646
  Start of MODEL   45
    1    H1   ACE   0           HA2      ACE   0   2.843  -6.253   3.205
    2    H2   ACE   0           HA3      ACE   0   3.891  -7.116   4.332
    3    H3   ACE   0           HA1      ACE   0   2.669  -7.996   3.415
    4    H    LEU   1           HN       LEU   1   2.905  -7.858   0.993
    5    HA   LEU   1           HA       LEU   1   5.672  -8.438   0.294
    6    HB2  LEU   1           HB2      LEU   1   3.064  -8.734  -1.200
    7    HB3  LEU   1           HB1      LEU   1   4.633  -9.189  -1.868
    8    HG   LEU   1           HG       LEU   1   3.541 -10.258   0.753
    9   HD11  LEU   1          HD11      LEU   1   3.641 -11.747  -1.879
   10   HD12  LEU   1          HD12      LEU   1   2.201 -10.888  -1.335
   11   HD13  LEU   1          HD13      LEU   1   2.838 -12.231  -0.386
   12   HD21  LEU   1          HD21      LEU   1   6.029 -10.736  -0.868
   13   HD22  LEU   1          HD22      LEU   1   5.335 -12.098   0.009
   14   HD23  LEU   1          HD23      LEU   1   5.824 -10.651   0.879
   15    H    GLY   2           HN       GLY   2   3.849  -5.712   0.415
   16    HA2  GLY   2           HA2      GLY   2   5.592  -3.989  -0.769
   17    HA3  GLY   2           HA1      GLY   2   4.552  -4.494  -2.100
   18    H    LEU   3           HN       LEU   3   2.325  -4.863  -0.103
   19    HA   LEU   3           HA       LEU   3   1.152  -2.269  -0.403
   20    HB2  LEU   3           HB2      LEU   3   0.234  -4.649   1.227
   21    HB3  LEU   3           HB1      LEU   3  -0.746  -3.243   0.822
   22    HG   LEU   3           HG       LEU   3   0.493  -5.150  -1.194
   23   HD11  LEU   3          HD11      LEU   3  -1.882  -5.818  -1.581
   24   HD12  LEU   3          HD12      LEU   3  -2.360  -4.805  -0.218
   25   HD13  LEU   3          HD13      LEU   3  -1.323  -6.205   0.048
   26   HD21  LEU   3          HD21      LEU   3  -1.104  -2.597  -1.421
   27   HD22  LEU   3          HD22      LEU   3  -1.281  -3.840  -2.661
   28   HD23  LEU   3          HD23      LEU   3   0.296  -3.119  -2.359
   29    H    LEU   4           HN       LEU   4   3.093  -3.765   2.007
   30    HA   LEU   4           HA       LEU   4   2.216  -2.406   4.306
   31    HB2  LEU   4           HB2      LEU   4   3.886  -4.356   4.115
   32    HB3  LEU   4           HB1      LEU   4   5.094  -3.123   3.770
   33    HG   LEU   4           HG       LEU   4   4.254  -1.958   5.925
   34   HD11  LEU   4          HD11      LEU   4   2.260  -3.103   6.488
   35   HD12  LEU   4          HD12      LEU   4   3.445  -3.770   7.604
   36   HD13  LEU   4          HD13      LEU   4   2.971  -4.686   6.177
   37   HD21  LEU   4          HD21      LEU   4   5.646  -3.562   7.348
   38   HD22  LEU   4          HD22      LEU   4   6.439  -2.924   5.908
   39   HD23  LEU   4          HD23      LEU   4   5.793  -4.566   5.903
   40    H    SER   5           HN       SER   5   4.532  -1.518   1.788
   41    HA   SER   5           HA       SER   5   5.609   0.780   2.937
   42    HB2  SER   5           HB2      SER   5   6.113   1.480   0.641
   43    HB3  SER   5           HB1      SER   5   6.439  -0.238   0.855
   44    HG   SER   5           HG       SER   5   4.524   1.045  -0.670
   45    H    TYR   6           HN       TYR   6   2.529   0.265   1.309
   46    HA   TYR   6           HA       TYR   6   1.871   3.105   1.319
   47    HB2  TYR   6           HB2      TYR   6   0.239   0.668   0.559
   48    HB3  TYR   6           HB1      TYR   6  -0.283   2.341   0.364
   49    HD1  TYR   6           HD1      TYR   6   2.208  -0.190  -0.737
   50    HD2  TYR   6           HD2      TYR   6   0.564   3.726  -1.394
   51    HE1  TYR   6           HE1      TYR   6   3.407  -0.045  -2.904
   52    HE2  TYR   6           HE2      TYR   6   1.760   3.865  -3.557
   53    HH   TYR   6           HH       TYR   6   3.915   2.776  -4.527
   54    H    GLY   7           HN       GLY   7   1.998   0.812   3.641
   55    HA2  GLY   7           HA2      GLY   7  -0.135   2.101   5.247
   56    HA3  GLY   7           HA1      GLY   7   0.011   0.345   5.198
   57    H    ALA   8           HN       ALA   8   2.980   1.962   4.924
   58    HA   ALA   8           HA       ALA   8   4.070   0.829   7.254
   59    HB1  ALA   8           HB1      ALA   8   6.050   2.022   6.721
   60    HB2  ALA   8           HB2      ALA   8   5.150   3.302   5.905
   61    HB3  ALA   8           HB3      ALA   8   5.277   1.706   5.167
   62    H    GLY   9           HN       GLY   9   2.315   3.767   6.724
   63    HA2  GLY   9           HA2      GLY   9   3.003   4.805   9.409
   64    HA3  GLY   9           HA1      GLY   9   2.217   5.715   8.120
   65    H    VAL  10           HN       VAL  10   0.061   4.679   7.389
   66    HA   VAL  10           HA       VAL  10  -1.725   4.778   9.566
   67    HB   VAL  10           HB       VAL  10  -2.189   3.635   6.801
   68   HG11  VAL  10          HG11      VAL  10  -4.125   4.736   8.853
   69   HG12  VAL  10          HG12      VAL  10  -3.956   3.038   8.423
   70   HG13  VAL  10          HG13      VAL  10  -4.547   4.193   7.232
   71   HG21  VAL  10          HG21      VAL  10  -2.925   5.859   6.186
   72   HG22  VAL  10          HG22      VAL  10  -1.303   5.989   6.868
   73   HG23  VAL  10          HG23      VAL  10  -2.708   6.434   7.840
   74    H    ALA  11           HN       ALA  11  -0.471   2.033   7.670
   75    HA   ALA  11           HA       ALA  11  -0.550  -0.241   8.069
   76    HB1  ALA  11           HB1      ALA  11  -0.430   0.718  10.940
   77    HB2  ALA  11           HB2      ALA  11   0.964   0.516   9.881
   78    HB3  ALA  11           HB3      ALA  11   0.014  -0.888  10.361
   79    H    SER  12           HN       SER  12  -3.064   1.527   8.267
   80    HA   SER  12           HA       SER  12  -5.320   1.028   8.327
   81    HB2  SER  12           HB2      SER  12  -4.252  -1.455   8.066
   82    HB3  SER  12           HB1      SER  12  -5.024  -1.619   9.639
   83    HG   SER  12           HG       SER  12  -6.146  -0.981   7.131
   84    H    LEU  13           HN       LEU  13  -3.755   2.243  10.494
   85    HA   LEU  13           HA       LEU  13  -3.898   2.772  12.737
   86    HB2  LEU  13           HB2      LEU  13  -6.481   3.012  11.400
   87    HB3  LEU  13           HB1      LEU  13  -6.708   2.748  13.125
   88    HG   LEU  13           HG       LEU  13  -5.034   4.633  13.511
   89   HD11  LEU  13          HD11      LEU  13  -4.081   4.520  11.191
   90   HD12  LEU  13          HD12      LEU  13  -4.593   6.140  11.666
   91   HD13  LEU  13          HD13      LEU  13  -5.600   5.177  10.585
   92   HD21  LEU  13          HD21      LEU  13  -7.559   5.322  11.976
   93   HD22  LEU  13          HD22      LEU  13  -6.717   6.366  13.120
   94   HD23  LEU  13          HD23      LEU  13  -7.506   4.896  13.686
   95    HA   PRO  14           HA       PRO  14  -4.805  -1.481  14.284
   96    HB2  PRO  14           HB2      PRO  14  -2.328  -2.528  14.393
   97    HB3  PRO  14           HB1      PRO  14  -3.231  -2.454  12.864
   98    HG2  PRO  14           HG2      PRO  14  -0.964  -0.772  13.806
   99    HG3  PRO  14           HG1      PRO  14  -1.388  -1.274  12.162
  100    HD2  PRO  14           HD2      PRO  14  -1.993   1.243  13.369
  101    HD3  PRO  14           HD1      PRO  14  -2.598   0.637  11.816
  102    H    LEU  15           HN       LEU  15  -1.817   0.275  15.142
  103    HA   LEU  15           HA       LEU  15  -1.776  -0.482  17.865
  104    HB2  LEU  15           HB2      LEU  15  -0.541   1.861  16.413
  105    HB3  LEU  15           HB1      LEU  15  -0.217   1.487  18.102
  106    HG   LEU  15           HG       LEU  15   0.215  -0.484  15.841
  107   HD11  LEU  15          HD11      LEU  15   2.585   0.083  15.960
  108   HD12  LEU  15          HD12      LEU  15   2.265   1.280  17.216
  109   HD13  LEU  15          HD13      LEU  15   1.646   1.527  15.582
  110   HD21  LEU  15          HD21      LEU  15   0.788  -0.469  18.802
  111   HD22  LEU  15          HD22      LEU  15   1.847  -1.378  17.725
  112   HD23  LEU  15          HD23      LEU  15   0.132  -1.758  17.797
  113    H    LEU  16           HN       LEU  16  -3.157   2.287  16.165
  114    HA   LEU  16           HA       LEU  16  -3.868   3.819  18.416
  115    HB2  LEU  16           HB2      LEU  16  -4.911   3.630  15.601
  116    HB3  LEU  16           HB1      LEU  16  -5.702   4.684  16.770
  117    HG   LEU  16           HG       LEU  16  -3.991   5.866  15.394
  118   HD11  LEU  16          HD11      LEU  16  -3.275   7.203  17.129
  119   HD12  LEU  16          HD12      LEU  16  -2.814   5.845  18.152
  120   HD13  LEU  16          HD13      LEU  16  -4.512   6.292  17.988
  121   HD21  LEU  16          HD21      LEU  16  -2.507   3.814  15.234
  122   HD22  LEU  16          HD22      LEU  16  -1.961   4.175  16.873
  123   HD23  LEU  16          HD23      LEU  16  -1.658   5.324  15.572
  124    H    ASN  17           HN       ASN  17  -5.536   1.242  16.681
  125    HA   ASN  17           HA       ASN  17  -8.024   1.402  17.955
  126    HB2  ASN  17           HB2      ASN  17  -7.638   0.069  15.944
  127    HB3  ASN  17           HB1      ASN  17  -6.590  -1.022  16.850
  128   HD21  ASN  17          HD21      ASN  17  -8.793  -2.177  15.634
  129   HD22  ASN  17          HD22      ASN  17  -9.973  -2.567  16.790
  130    H    VAL  18           HN       VAL  18  -5.063  -0.321  18.858
  131    HA   VAL  18           HA       VAL  18  -6.114  -1.772  21.041
  132    HB   VAL  18           HB       VAL  18  -3.312  -0.736  20.535
  133   HG11  VAL  18          HG11      VAL  18  -3.399  -1.173  22.865
  134   HG12  VAL  18          HG12      VAL  18  -2.758  -2.660  22.168
  135   HG13  VAL  18          HG13      VAL  18  -4.454  -2.570  22.650
  136   HG21  VAL  18          HG21      VAL  18  -2.933  -3.137  19.906
  137   HG22  VAL  18          HG22      VAL  18  -4.065  -2.313  18.833
  138   HG23  VAL  18          HG23      VAL  18  -4.664  -3.415  20.071
  139    H    ILE  19           HN       ILE  19  -4.522   1.406  20.878
  140    HA   ILE  19           HA       ILE  19  -4.672   1.957  23.655
  141    HB   ILE  19           HB       ILE  19  -4.627   3.932  21.365
  142   HG12  ILE  19          HG12      ILE  19  -2.768   2.361  21.149
  143   HG13  ILE  19          HG11      ILE  19  -2.161   3.915  21.709
  144   HG21  ILE  19          HG21      ILE  19  -3.967   4.135  24.308
  145   HG22  ILE  19          HG22      ILE  19  -5.166   5.056  23.401
  146   HG23  ILE  19          HG23      ILE  19  -3.446   5.335  23.127
  147   HD11  ILE  19          HD11      ILE  19  -1.064   2.404  23.121
  148   HD12  ILE  19          HD12      ILE  19  -2.463   1.344  23.246
  149   HD13  ILE  19          HD13      ILE  19  -2.444   2.883  24.103
  150    H    ALA  20           HN       ALA  20  -6.805   2.721  20.926
  151    HA   ALA  20           HA       ALA  20  -8.680   4.223  22.459
  152    HB1  ALA  20           HB1      ALA  20  -8.625   4.477  20.055
  153    HB2  ALA  20           HB2      ALA  20 -10.201   3.830  20.511
  154    HB3  ALA  20           HB3      ALA  20  -8.976   2.763  19.824
  155    HN1  NH2  21           H2       NH2  21 -10.119   0.372  22.348
  156    HN2  NH2  21           H1       NH2  21  -9.142   0.915  21.071
  Start of MODEL   46
    1    H1   ACE   0           HA2      ACE   0   3.806  -2.182  -5.965
    2    H2   ACE   0           HA3      ACE   0   3.486  -1.885  -4.255
    3    H3   ACE   0           HA1      ACE   0   2.230  -2.580  -5.278
    4    H    LEU   1           HN       LEU   1   1.912  -4.603  -4.552
    5    HA   LEU   1           HA       LEU   1   2.372  -6.694  -3.652
    6    HB2  LEU   1           HB2      LEU   1   4.239  -6.523  -6.021
    7    HB3  LEU   1           HB1      LEU   1   3.844  -8.021  -5.184
    8    HG   LEU   1           HG       LEU   1   1.756  -6.188  -6.395
    9   HD11  LEU   1          HD11      LEU   1   1.687  -7.726  -8.293
   10   HD12  LEU   1          HD12      LEU   1   2.951  -8.719  -7.566
   11   HD13  LEU   1          HD13      LEU   1   3.323  -7.086  -8.116
   12   HD21  LEU   1          HD21      LEU   1   1.728  -8.929  -5.124
   13   HD22  LEU   1          HD22      LEU   1   0.522  -8.520  -6.340
   14   HD23  LEU   1          HD23      LEU   1   0.632  -7.572  -4.862
   15    H    GLY   2           HN       GLY   2   3.941  -4.540  -2.427
   16    HA2  GLY   2           HA2      GLY   2   5.767  -6.123  -0.941
   17    HA3  GLY   2           HA1      GLY   2   6.645  -5.136  -2.106
   18    H    LEU   3           HN       LEU   3   4.812  -2.898  -2.028
   19    HA   LEU   3           HA       LEU   3   5.770  -1.664   0.441
   20    HB2  LEU   3           HB2      LEU   3   4.343  -0.531  -1.973
   21    HB3  LEU   3           HB1      LEU   3   4.865   0.428  -0.591
   22    HG   LEU   3           HG       LEU   3   6.729  -1.283  -2.265
   23   HD11  LEU   3          HD11      LEU   3   5.979   1.640  -2.440
   24   HD12  LEU   3          HD12      LEU   3   5.972   0.431  -3.725
   25   HD13  LEU   3          HD13      LEU   3   7.502   1.027  -3.082
   26   HD21  LEU   3          HD21      LEU   3   7.082   0.600   0.068
   27   HD22  LEU   3          HD22      LEU   3   8.370   0.472  -1.129
   28   HD23  LEU   3          HD23      LEU   3   7.854  -0.956  -0.239
   29    H    LEU   4           HN       LEU   4   3.017  -3.290  -0.577
   30    HA   LEU   4           HA       LEU   4   0.950  -1.790   0.634
   31    HB2  LEU   4           HB2      LEU   4   1.223  -4.749   0.079
   32    HB3  LEU   4           HB1      LEU   4  -0.256  -4.010   0.687
   33    HG   LEU   4           HG       LEU   4   1.137  -3.115  -1.852
   34   HD11  LEU   4          HD11      LEU   4  -0.704  -4.369  -3.016
   35   HD12  LEU   4          HD12      LEU   4  -1.141  -5.076  -1.461
   36   HD13  LEU   4          HD13      LEU   4   0.437  -5.412  -2.170
   37   HD21  LEU   4          HD21      LEU   4  -0.280  -1.353  -1.267
   38   HD22  LEU   4          HD22      LEU   4  -1.440  -2.404  -0.458
   39   HD23  LEU   4          HD23      LEU   4  -1.384  -2.340  -2.218
   40    H    SER   5           HN       SER   5   3.088  -4.321   1.867
   41    HA   SER   5           HA       SER   5   1.860  -4.340   4.482
   42    HB2  SER   5           HB2      SER   5   4.428  -5.574   3.468
   43    HB3  SER   5           HB1      SER   5   3.737  -5.856   5.063
   44    HG   SER   5           HG       SER   5   3.120  -7.460   3.544
   45    H    TYR   6           HN       TYR   6   3.817  -2.165   2.957
   46    HA   TYR   6           HA       TYR   6   5.838  -1.559   4.802
   47    HB2  TYR   6           HB2      TYR   6   5.621  -0.604   2.500
   48    HB3  TYR   6           HB1      TYR   6   4.302   0.406   3.087
   49    HD1  TYR   6           HD2      TYR   6   4.717   2.219   4.702
   50    HD2  TYR   6           HD1      TYR   6   7.916  -0.195   3.154
   51    HE1  TYR   6           HE2      TYR   6   6.369   3.873   5.531
   52    HE2  TYR   6           HE1      TYR   6   9.565   1.458   3.980
   53    HH   TYR   6           HH       TYR   6   9.749   3.682   4.681
   54    H    GLY   7           HN       GLY   7   2.518  -0.297   4.544
   55    HA2  GLY   7           HA2      GLY   7   1.678  -0.180   7.067
   56    HA3  GLY   7           HA1      GLY   7   2.799   1.179   7.054
   57    H    ALA   8           HN       ALA   8   0.660   0.058   4.452
   58    HA   ALA   8           HA       ALA   8  -0.513   2.762   4.310
   59    HB1  ALA   8           HB1      ALA   8  -1.287   2.073   2.085
   60    HB2  ALA   8           HB2      ALA   8  -0.631   0.457   2.348
   61    HB3  ALA   8           HB3      ALA   8   0.454   1.844   2.242
   62    H    GLY   9           HN       GLY   9  -1.571   1.779   6.445
   63    HA2  GLY   9           HA2      GLY   9  -4.297   1.719   6.134
   64    HA3  GLY   9           HA1      GLY   9  -3.809   0.026   6.055
   65    H    VAL  10           HN       VAL  10  -1.794  -0.153   7.832
   66    HA   VAL  10           HA       VAL  10  -3.120  -0.238  10.334
   67    HB   VAL  10           HB       VAL  10  -0.186  -0.470   9.635
   68   HG11  VAL  10          HG11      VAL  10  -1.705  -0.823  12.217
   69   HG12  VAL  10          HG12      VAL  10  -0.162  -0.017  11.937
   70   HG13  VAL  10          HG13      VAL  10  -0.254  -1.776  11.903
   71   HG21  VAL  10          HG21      VAL  10  -2.380  -2.512  10.103
   72   HG22  VAL  10          HG22      VAL  10  -0.674  -2.910   9.910
   73   HG23  VAL  10          HG23      VAL  10  -1.565  -2.176   8.577
   74    H    ALA  11           HN       ALA  11  -0.664   1.933   8.987
   75    HA   ALA  11           HA       ALA  11   0.008   4.040   9.584
   76    HB1  ALA  11           HB1      ALA  11  -1.579   5.517  10.540
   77    HB2  ALA  11           HB2      ALA  11  -2.440   4.204  11.336
   78    HB3  ALA  11           HB3      ALA  11  -2.524   4.375   9.586
   79    H    SER  12           HN       SER  12   0.994   1.821  11.016
   80    HA   SER  12           HA       SER  12   2.315   1.372  12.829
   81    HB2  SER  12           HB2      SER  12   1.922   4.202  13.770
   82    HB3  SER  12           HB1      SER  12   3.335   3.164  13.952
   83    HG   SER  12           HG       SER  12   2.703   4.857  11.964
   84    H    LEU  13           HN       LEU  13  -0.778   1.513  12.946
   85    HA   LEU  13           HA       LEU  13  -2.423   1.078  14.495
   86    HB2  LEU  13           HB2      LEU  13  -0.684  -0.750  14.968
   87    HB3  LEU  13           HB1      LEU  13  -0.189   0.239  16.337
   88    HG   LEU  13           HG       LEU  13  -2.802   0.231  16.882
   89   HD11  LEU  13          HD11      LEU  13  -2.530  -2.476  15.562
   90   HD12  LEU  13          HD12      LEU  13  -3.184  -1.095  14.688
   91   HD13  LEU  13          HD13      LEU  13  -3.993  -1.679  16.139
   92   HD21  LEU  13          HD21      LEU  13  -0.959  -0.737  18.293
   93   HD22  LEU  13          HD22      LEU  13  -1.098  -2.235  17.374
   94   HD23  LEU  13          HD23      LEU  13  -2.449  -1.676  18.359
   95    HA   PRO  14           HA       PRO  14  -1.537   4.779  17.096
   96    HB2  PRO  14           HB2      PRO  14  -2.764   6.711  15.639
   97    HB3  PRO  14           HB1      PRO  14  -1.123   6.145  15.265
   98    HG2  PRO  14           HG2      PRO  14  -3.639   5.667  13.801
   99    HG3  PRO  14           HG1      PRO  14  -1.969   5.573  13.228
  100    HD2  PRO  14           HD2      PRO  14  -3.689   3.382  14.086
  101    HD3  PRO  14           HD1      PRO  14  -2.045   3.289  13.425
  102    H    LEU  15           HN       LEU  15  -4.554   5.230  15.289
  103    HA   LEU  15           HA       LEU  15  -6.118   5.822  17.562
  104    HB2  LEU  15           HB2      LEU  15  -6.876   4.983  14.758
  105    HB3  LEU  15           HB1      LEU  15  -8.052   5.488  15.969
  106    HG   LEU  15           HG       LEU  15  -5.690   7.180  15.097
  107   HD11  LEU  15          HD11      LEU  15  -8.594   7.346  14.237
  108   HD12  LEU  15          HD12      LEU  15  -7.261   6.783  13.228
  109   HD13  LEU  15          HD13      LEU  15  -7.312   8.461  13.766
  110   HD21  LEU  15          HD21      LEU  15  -7.414   8.961  16.088
  111   HD22  LEU  15          HD22      LEU  15  -6.327   8.080  17.151
  112   HD23  LEU  15          HD23      LEU  15  -8.005   7.564  16.987
  113    H    LEU  16           HN       LEU  16  -5.625   2.847  15.729
  114    HA   LEU  16           HA       LEU  16  -7.606   1.277  16.975
  115    HB2  LEU  16           HB2      LEU  16  -4.960   0.528  15.720
  116    HB3  LEU  16           HB1      LEU  16  -6.160  -0.651  16.239
  117    HG   LEU  16           HG       LEU  16  -6.755   1.586  14.281
  118   HD11  LEU  16          HD11      LEU  16  -5.007   0.038  13.423
  119   HD12  LEU  16          HD12      LEU  16  -6.510  -0.078  12.509
  120   HD13  LEU  16          HD13      LEU  16  -6.102  -1.316  13.696
  121   HD21  LEU  16          HD21      LEU  16  -8.599  -0.217  13.700
  122   HD22  LEU  16          HD22      LEU  16  -8.830   0.842  15.083
  123   HD23  LEU  16          HD23      LEU  16  -8.266  -0.811  15.326
  124    H    ASN  17           HN       ASN  17  -4.231   1.914  17.809
  125    HA   ASN  17           HA       ASN  17  -3.991   0.062  19.914
  126    HB2  ASN  17           HB2      ASN  17  -2.061   1.220  18.945
  127    HB3  ASN  17           HB1      ASN  17  -2.647   2.754  19.582
  128   HD21  ASN  17          HD21      ASN  17  -0.131   1.985  20.426
  129   HD22  ASN  17          HD22      ASN  17  -0.182   1.461  22.040
  130    H    VAL  18           HN       VAL  18  -5.128   3.427  19.882
  131    HA   VAL  18           HA       VAL  18  -5.424   3.705  22.683
  132    HB   VAL  18           HB       VAL  18  -6.931   5.059  20.432
  133   HG11  VAL  18          HG11      VAL  18  -6.741   5.597  23.401
  134   HG12  VAL  18          HG12      VAL  18  -8.197   5.371  22.433
  135   HG13  VAL  18          HG13      VAL  18  -7.234   6.836  22.247
  136   HG21  VAL  18          HG21      VAL  18  -4.514   5.931  22.052
  137   HG22  VAL  18          HG22      VAL  18  -5.307   6.874  20.791
  138   HG23  VAL  18          HG23      VAL  18  -4.471   5.379  20.377
  139    H    ILE  19           HN       ILE  19  -7.691   2.722  20.134
  140    HA   ILE  19           HA       ILE  19  -9.930   2.316  21.826
  141    HB   ILE  19           HB       ILE  19  -9.184   1.105  19.153
  142   HG12  ILE  19          HG12      ILE  19  -9.515   3.535  19.096
  143   HG13  ILE  19          HG11      ILE  19 -10.840   2.721  18.272
  144   HG21  ILE  19          HG21      ILE  19 -11.741   0.687  19.078
  145   HG22  ILE  19          HG22      ILE  19 -11.672   0.842  20.833
  146   HG23  ILE  19          HG23      ILE  19 -10.748  -0.422  20.024
  147   HD11  ILE  19          HD11      ILE  19 -11.953   2.875  20.714
  148   HD12  ILE  19          HD12      ILE  19 -12.053   4.202  19.562
  149   HD13  ILE  19          HD13      ILE  19 -10.846   4.239  20.845
  150    H    ALA  20           HN       ALA  20  -7.369   0.174  20.649
  151    HA   ALA  20           HA       ALA  20  -8.364  -2.191  21.878
  152    HB1  ALA  20           HB1      ALA  20  -6.675  -2.086  20.002
  153    HB2  ALA  20           HB2      ALA  20  -6.242  -3.165  21.328
  154    HB3  ALA  20           HB3      ALA  20  -5.483  -1.579  21.199
  155    HN1  NH2  21           H2       NH2  21  -6.024  -0.243  24.611
  156    HN2  NH2  21           H1       NH2  21  -6.121   0.343  23.020
  Start of MODEL   47
    1    H1   ACE   0           HA2      ACE   0   6.723  -1.641   0.061
    2    H2   ACE   0           HA3      ACE   0   7.019  -0.512  -1.259
    3    H3   ACE   0           HA1      ACE   0   8.371  -1.156  -0.331
    4    H    LEU   1           HN       LEU   1   7.172  -3.856  -0.235
    5    HA   LEU   1           HA       LEU   1   8.397  -4.964  -2.523
    6    HB2  LEU   1           HB2      LEU   1   6.439  -6.121  -0.533
    7    HB3  LEU   1           HB1      LEU   1   7.209  -7.078  -1.796
    8    HG   LEU   1           HG       LEU   1   8.746  -5.434   0.238
    9   HD11  LEU   1          HD11      LEU   1   8.163  -8.412   0.255
   10   HD12  LEU   1          HD12      LEU   1   7.415  -7.227   1.327
   11   HD13  LEU   1          HD13      LEU   1   9.149  -7.538   1.428
   12   HD21  LEU   1          HD21      LEU   1   9.492  -7.337  -1.977
   13   HD22  LEU   1          HD22      LEU   1  10.501  -7.291  -0.533
   14   HD23  LEU   1          HD23      LEU   1  10.267  -5.832  -1.486
   15    H    GLY   2           HN       GLY   2   4.996  -4.304  -1.752
   16    HA2  GLY   2           HA2      GLY   2   4.317  -4.016  -4.515
   17    HA3  GLY   2           HA1      GLY   2   3.723  -5.541  -3.864
   18    H    LEU   3           HN       LEU   3   3.089  -4.741  -1.256
   19    HA   LEU   3           HA       LEU   3   1.240  -2.496  -1.474
   20    HB2  LEU   3           HB2      LEU   3  -0.427  -4.341  -0.264
   21    HB3  LEU   3           HB1      LEU   3  -0.521  -3.859  -1.954
   22    HG   LEU   3           HG       LEU   3   1.040  -5.730  -2.525
   23   HD11  LEU   3          HD11      LEU   3   0.539  -6.632   0.323
   24   HD12  LEU   3          HD12      LEU   3   2.014  -5.803  -0.163
   25   HD13  LEU   3          HD13      LEU   3   1.613  -7.369  -0.864
   26   HD21  LEU   3          HD21      LEU   3  -1.400  -6.604  -0.961
   27   HD22  LEU   3          HD22      LEU   3  -0.650  -7.449  -2.316
   28   HD23  LEU   3          HD23      LEU   3  -1.465  -5.906  -2.578
   29    H    LEU   4           HN       LEU   4   3.692  -3.502   0.053
   30    HA   LEU   4           HA       LEU   4   2.981  -3.890   2.759
   31    HB2  LEU   4           HB2      LEU   4   5.265  -4.206   1.576
   32    HB3  LEU   4           HB1      LEU   4   5.502  -2.488   1.870
   33    HG   LEU   4           HG       LEU   4   4.800  -4.477   4.055
   34   HD11  LEU   4          HD11      LEU   4   7.262  -4.225   4.648
   35   HD12  LEU   4          HD12      LEU   4   7.484  -3.511   3.051
   36   HD13  LEU   4          HD13      LEU   4   6.918  -5.175   3.204
   37   HD21  LEU   4          HD21      LEU   4   4.374  -2.472   5.090
   38   HD22  LEU   4          HD22      LEU   4   5.349  -1.537   3.958
   39   HD23  LEU   4          HD23      LEU   4   6.122  -2.416   5.276
   40    H    SER   5           HN       SER   5   3.629  -0.991   0.850
   41    HA   SER   5           HA       SER   5   3.744   0.962   2.782
   42    HB2  SER   5           HB2      SER   5   2.963   2.509   1.084
   43    HB3  SER   5           HB1      SER   5   4.021   1.315   0.336
   44    HG   SER   5           HG       SER   5   1.706   1.887  -0.504
   45    H    TYR   6           HN       TYR   6   0.836  -0.632   1.502
   46    HA   TYR   6           HA       TYR   6  -1.061   1.080   2.705
   47    HB2  TYR   6           HB2      TYR   6  -1.268  -1.870   2.046
   48    HB3  TYR   6           HB1      TYR   6  -2.629  -0.838   2.490
   49    HD1  TYR   6           HD2      TYR   6  -2.935   1.355   1.082
   50    HD2  TYR   6           HD1      TYR   6  -0.655  -2.039  -0.201
   51    HE1  TYR   6           HE2      TYR   6  -3.143   2.104  -1.276
   52    HE2  TYR   6           HE1      TYR   6  -0.859  -1.309  -2.554
   53    HH   TYR   6           HH       TYR   6  -1.337   0.587  -3.850
   54    H    GLY   7           HN       GLY   7   0.482  -1.901   3.869
   55    HA2  GLY   7           HA2      GLY   7  -0.910  -2.010   6.344
   56    HA3  GLY   7           HA1      GLY   7   0.591  -2.852   5.961
   57    H    ALA   8           HN       ALA   8   2.030  -0.444   5.247
   58    HA   ALA   8           HA       ALA   8   3.129   0.202   7.750
   59    HB1  ALA   8           HB1      ALA   8   3.345   1.802   5.194
   60    HB2  ALA   8           HB2      ALA   8   4.325   0.384   5.567
   61    HB3  ALA   8           HB3      ALA   8   4.462   1.837   6.558
   62    H    GLY   9           HN       GLY   9   0.720   1.839   5.750
   63    HA2  GLY   9           HA2      GLY   9   0.615   4.259   7.225
   64    HA3  GLY   9           HA1      GLY   9  -0.660   3.637   6.177
   65    H    VAL  10           HN       VAL  10  -1.255   1.252   7.404
   66    HA   VAL  10           HA       VAL  10  -2.903   2.107   9.582
   67    HB   VAL  10           HB       VAL  10  -2.276  -0.673   8.559
   68   HG11  VAL  10          HG11      VAL  10  -4.377   0.401  10.455
   69   HG12  VAL  10          HG12      VAL  10  -3.166  -0.838  10.782
   70   HG13  VAL  10          HG13      VAL  10  -4.497  -1.178   9.678
   71   HG21  VAL  10          HG21      VAL  10  -4.639   1.149   8.013
   72   HG22  VAL  10          HG22      VAL  10  -4.371  -0.453   7.327
   73   HG23  VAL  10          HG23      VAL  10  -3.304   0.882   6.891
   74    H    ALA  11           HN       ALA  11   0.257   0.730   9.281
   75    HA   ALA  11           HA       ALA  11   1.813   0.041  10.831
   76    HB1  ALA  11           HB1      ALA  11   0.267   2.000  12.550
   77    HB2  ALA  11           HB2      ALA  11   1.622   2.396  11.491
   78    HB3  ALA  11           HB3      ALA  11   1.878   1.375  12.905
   79    H    SER  12           HN       SER  12  -0.582  -1.541  10.574
   80    HA   SER  12           HA       SER  12  -1.560  -3.361  11.571
   81    HB2  SER  12           HB2      SER  12   0.869  -3.679  12.339
   82    HB3  SER  12           HB1      SER  12   0.346  -3.009  13.881
   83    HG   SER  12           HG       SER  12  -1.444  -4.695  13.529
   84    H    LEU  13           HN       LEU  13  -2.198  -0.456  12.312
   85    HA   LEU  13           HA       LEU  13  -3.596   0.682  13.738
   86    HB2  LEU  13           HB2      LEU  13  -5.013  -1.271  12.758
   87    HB3  LEU  13           HB1      LEU  13  -4.860  -1.980  14.363
   88    HG   LEU  13           HG       LEU  13  -5.666   0.403  15.186
   89   HD11  LEU  13          HD11      LEU  13  -6.774   0.288  12.359
   90   HD12  LEU  13          HD12      LEU  13  -5.597   1.462  12.943
   91   HD13  LEU  13          HD13      LEU  13  -7.232   1.459  13.594
   92   HD21  LEU  13          HD21      LEU  13  -6.928  -1.707  15.475
   93   HD22  LEU  13          HD22      LEU  13  -7.546  -1.559  13.831
   94   HD23  LEU  13          HD23      LEU  13  -8.009  -0.378  15.053
   95    HA   PRO  14           HA       PRO  14  -1.564  -0.745  17.614
   96    HB2  PRO  14           HB2      PRO  14   0.514   0.995  17.725
   97    HB3  PRO  14           HB1      PRO  14   0.566  -0.475  16.731
   98    HG2  PRO  14           HG2      PRO  14   0.310   2.342  15.883
   99    HG3  PRO  14           HG1      PRO  14   0.884   0.940  14.973
  100    HD2  PRO  14           HD2      PRO  14  -1.763   2.140  14.906
  101    HD3  PRO  14           HD1      PRO  14  -1.156   0.775  13.947
  102    H    LEU  15           HN       LEU  15  -0.959   2.710  17.100
  103    HA   LEU  15           HA       LEU  15  -1.852   3.500  19.651
  104    HB2  LEU  15           HB2      LEU  15  -1.436   5.072  17.100
  105    HB3  LEU  15           HB1      LEU  15  -1.789   5.815  18.659
  106    HG   LEU  15           HG       LEU  15   0.557   3.959  18.151
  107   HD11  LEU  15          HD11      LEU  15   1.932   6.015  18.179
  108   HD12  LEU  15          HD12      LEU  15   0.465   6.988  18.283
  109   HD13  LEU  15          HD13      LEU  15   0.784   6.024  16.840
  110   HD21  LEU  15          HD21      LEU  15  -0.448   5.513  20.530
  111   HD22  LEU  15          HD22      LEU  15   1.292   5.320  20.326
  112   HD23  LEU  15          HD23      LEU  15   0.262   3.901  20.464
  113    H    LEU  16           HN       LEU  16  -3.445   3.467  16.494
  114    HA   LEU  16           HA       LEU  16  -5.785   4.848  17.239
  115    HB2  LEU  16           HB2      LEU  16  -5.127   2.849  15.082
  116    HB3  LEU  16           HB1      LEU  16  -6.781   3.424  15.290
  117    HG   LEU  16           HG       LEU  16  -6.029   5.746  15.026
  118   HD11  LEU  16          HD11      LEU  16  -3.313   4.427  14.865
  119   HD12  LEU  16          HD12      LEU  16  -3.831   5.726  15.939
  120   HD13  LEU  16          HD13      LEU  16  -3.605   6.041  14.220
  121   HD21  LEU  16          HD21      LEU  16  -5.342   5.612  12.648
  122   HD22  LEU  16          HD22      LEU  16  -6.634   4.467  13.003
  123   HD23  LEU  16          HD23      LEU  16  -4.970   3.902  12.858
  124    H    ASN  17           HN       ASN  17  -4.934   1.406  17.346
  125    HA   ASN  17           HA       ASN  17  -7.457   0.435  18.166
  126    HB2  ASN  17           HB2      ASN  17  -5.670  -1.023  17.313
  127    HB3  ASN  17           HB1      ASN  17  -4.699  -0.670  18.740
  128   HD21  ASN  17          HD21      ASN  17  -5.360  -3.341  18.273
  129   HD22  ASN  17          HD22      ASN  17  -6.520  -3.852  19.404
  130    H    VAL  18           HN       VAL  18  -4.622   1.526  20.000
  131    HA   VAL  18           HA       VAL  18  -5.628   0.891  22.569
  132    HB   VAL  18           HB       VAL  18  -3.589   2.940  21.672
  133   HG11  VAL  18          HG11      VAL  18  -4.366   3.669  23.819
  134   HG12  VAL  18          HG12      VAL  18  -2.869   2.785  24.114
  135   HG13  VAL  18          HG13      VAL  18  -4.425   2.016  24.430
  136   HG21  VAL  18          HG21      VAL  18  -1.972   1.272  22.361
  137   HG22  VAL  18          HG22      VAL  18  -3.117   0.497  21.267
  138   HG23  VAL  18          HG23      VAL  18  -3.246   0.239  23.007
  139    H    ILE  19           HN       ILE  19  -5.659   3.893  20.669
  140    HA   ILE  19           HA       ILE  19  -7.036   5.459  22.588
  141    HB   ILE  19           HB       ILE  19  -6.806   5.716  19.578
  142   HG12  ILE  19          HG12      ILE  19  -5.477   7.298  21.796
  143   HG13  ILE  19          HG11      ILE  19  -4.735   5.887  21.042
  144   HG21  ILE  19          HG21      ILE  19  -7.445   8.159  20.160
  145   HG22  ILE  19          HG22      ILE  19  -8.084   7.494  21.662
  146   HG23  ILE  19          HG23      ILE  19  -8.744   6.968  20.115
  147   HD11  ILE  19          HD11      ILE  19  -4.677   6.944  18.897
  148   HD12  ILE  19          HD12      ILE  19  -4.073   8.140  20.045
  149   HD13  ILE  19          HD13      ILE  19  -5.726   8.254  19.440
  150    H    ALA  20           HN       ALA  20  -8.111   3.529  19.822
  151    HA   ALA  20           HA       ALA  20 -10.922   4.094  20.365
  152    HB1  ALA  20           HB1      ALA  20 -11.300   2.549  18.437
  153    HB2  ALA  20           HB2      ALA  20  -9.556   2.309  18.336
  154    HB3  ALA  20           HB3      ALA  20 -10.244   3.906  18.046
  155    HN1  NH2  21           H2       NH2  21  -9.750   0.766  22.222
  156    HN2  NH2  21           H1       NH2  21  -8.685   1.993  21.728
  Start of MODEL   48
    1    H1   ACE   0           HA2      ACE   0   4.547  -7.376   2.442
    2    H2   ACE   0           HA3      ACE   0   6.259  -7.079   2.746
    3    H3   ACE   0           HA1      ACE   0   5.734  -8.633   2.097
    4    H    LEU   1           HN       LEU   1   7.398  -6.089   1.185
    5    HA   LEU   1           HA       LEU   1   7.648  -4.796  -0.737
    6    HB2  LEU   1           HB2      LEU   1   7.255  -7.603  -1.792
    7    HB3  LEU   1           HB1      LEU   1   7.938  -6.274  -2.727
    8    HG   LEU   1           HG       LEU   1   9.060  -7.192  -0.067
    9   HD11  LEU   1          HD11      LEU   1   9.973  -7.918  -2.870
   10   HD12  LEU   1          HD12      LEU   1   9.191  -9.013  -1.728
   11   HD13  LEU   1          HD13      LEU   1  10.791  -8.363  -1.372
   12   HD21  LEU   1          HD21      LEU   1   9.914  -5.218  -2.184
   13   HD22  LEU   1          HD22      LEU   1  11.139  -6.028  -1.209
   14   HD23  LEU   1          HD23      LEU   1   9.912  -5.040  -0.431
   15    H    GLY   2           HN       GLY   2   4.863  -4.934   0.192
   16    HA2  GLY   2           HA2      GLY   2   3.600  -3.997  -2.259
   17    HA3  GLY   2           HA1      GLY   2   2.856  -5.415  -1.525
   18    H    LEU   3           HN       LEU   3   2.901  -4.991   1.103
   19    HA   LEU   3           HA       LEU   3   1.037  -2.783   1.449
   20    HB2  LEU   3           HB2      LEU   3   2.043  -4.912   3.348
   21    HB3  LEU   3           HB1      LEU   3   0.839  -3.701   3.772
   22    HG   LEU   3           HG       LEU   3   0.549  -5.665   1.475
   23   HD11  LEU   3          HD11      LEU   3   0.596  -6.760   3.720
   24   HD12  LEU   3          HD12      LEU   3  -0.974  -6.897   2.930
   25   HD13  LEU   3          HD13      LEU   3  -0.737  -5.720   4.221
   26   HD21  LEU   3          HD21      LEU   3  -1.950  -4.924   1.931
   27   HD22  LEU   3          HD22      LEU   3  -0.903  -3.890   0.969
   28   HD23  LEU   3          HD23      LEU   3  -1.198  -3.508   2.665
   29    H    LEU   4           HN       LEU   4   4.374  -3.237   1.713
   30    HA   LEU   4           HA       LEU   4   4.992  -1.654   3.977
   31    HB2  LEU   4           HB2      LEU   4   6.550  -2.154   1.430
   32    HB3  LEU   4           HB1      LEU   4   7.213  -1.359   2.854
   33    HG   LEU   4           HG       LEU   4   6.062  -4.166   2.806
   34   HD11  LEU   4          HD11      LEU   4   8.227  -3.808   1.545
   35   HD12  LEU   4          HD12      LEU   4   8.339  -4.947   2.887
   36   HD13  LEU   4          HD13      LEU   4   8.952  -3.303   3.070
   37   HD21  LEU   4          HD21      LEU   4   7.494  -4.106   5.069
   38   HD22  LEU   4          HD22      LEU   4   5.826  -3.544   5.037
   39   HD23  LEU   4          HD23      LEU   4   7.147  -2.379   4.970
   40    H    SER   5           HN       SER   5   4.572  -0.841   0.547
   41    HA   SER   5           HA       SER   5   4.982   2.001   1.069
   42    HB2  SER   5           HB2      SER   5   4.252   0.489  -1.451
   43    HB3  SER   5           HB1      SER   5   4.547   2.224  -1.374
   44    HG   SER   5           HG       SER   5   6.525   0.908  -0.133
   45    H    TYR   6           HN       TYR   6   2.350  -0.034  -0.228
   46    HA   TYR   6           HA       TYR   6   0.381   1.999  -0.207
   47    HB2  TYR   6           HB2      TYR   6   0.092  -0.023  -1.532
   48    HB3  TYR   6           HB1      TYR   6   0.102  -1.013  -0.073
   49    HD1  TYR   6           HD1      TYR   6  -1.803   1.515  -2.000
   50    HD2  TYR   6           HD2      TYR   6  -1.823  -1.141   1.375
   51    HE1  TYR   6           HE1      TYR   6  -4.246   1.857  -1.742
   52    HE2  TYR   6           HE2      TYR   6  -4.265  -0.799   1.631
   53    HH   TYR   6           HH       TYR   6  -6.173   0.665  -0.770
   54    H    GLY   7           HN       GLY   7   1.172  -0.567   2.122
   55    HA2  GLY   7           HA2      GLY   7  -0.785   0.444   4.041
   56    HA3  GLY   7           HA1      GLY   7   0.222  -0.988   4.223
   57    H    ALA   8           HN       ALA   8   1.772   1.941   3.221
   58    HA   ALA   8           HA       ALA   8   3.608   1.960   5.343
   59    HB1  ALA   8           HB1      ALA   8   4.298   4.124   4.523
   60    HB2  ALA   8           HB2      ALA   8   2.759   4.350   3.694
   61    HB3  ALA   8           HB3      ALA   8   3.891   3.121   3.133
   62    H    GLY   9           HN       GLY   9   2.138   1.638   7.160
   63    HA2  GLY   9           HA2      GLY   9   1.873   3.333   9.094
   64    HA3  GLY   9           HA1      GLY   9   0.648   4.038   8.035
   65    H    VAL  10           HN       VAL  10   1.515   0.667   8.544
   66    HA   VAL  10           HA       VAL  10  -1.096  -0.312   8.536
   67    HB   VAL  10           HB       VAL  10  -0.137  -2.377   9.352
   68   HG11  VAL  10          HG11      VAL  10   1.521  -2.717   7.642
   69   HG12  VAL  10          HG12      VAL  10   1.913  -1.000   7.610
   70   HG13  VAL  10          HG13      VAL  10   0.352  -1.556   7.008
   71   HG21  VAL  10          HG21      VAL  10   2.347  -2.340   9.970
   72   HG22  VAL  10          HG22      VAL  10   1.238  -1.679  11.171
   73   HG23  VAL  10          HG23      VAL  10   2.170  -0.594  10.140
   74    H    ALA  11           HN       ALA  11   0.781   1.086  11.106
   75    HA   ALA  11           HA       ALA  11  -0.755   0.034  13.273
   76    HB1  ALA  11           HB1      ALA  11   1.522   0.885  13.586
   77    HB2  ALA  11           HB2      ALA  11   0.379   1.761  14.604
   78    HB3  ALA  11           HB3      ALA  11   0.988   2.501  13.124
   79    H    SER  12           HN       SER  12  -2.159   1.430  10.958
   80    HA   SER  12           HA       SER  12  -3.341   3.783  12.180
   81    HB2  SER  12           HB2      SER  12  -4.549   4.002  10.082
   82    HB3  SER  12           HB1      SER  12  -2.848   3.692   9.756
   83    HG   SER  12           HG       SER  12  -4.255   2.378   8.497
   84    H    LEU  13           HN       LEU  13  -3.934   0.483  12.448
   85    HA   LEU  13           HA       LEU  13  -6.672   1.035  13.395
   86    HB2  LEU  13           HB2      LEU  13  -6.126  -0.350  11.001
   87    HB3  LEU  13           HB1      LEU  13  -6.517  -1.617  12.156
   88    HG   LEU  13           HG       LEU  13  -8.570  -0.135  12.775
   89   HD11  LEU  13          HD11      LEU  13  -7.760   1.036  10.094
   90   HD12  LEU  13          HD12      LEU  13  -7.925   1.903  11.621
   91   HD13  LEU  13          HD13      LEU  13  -9.352   1.242  10.825
   92   HD21  LEU  13          HD21      LEU  13  -8.732  -2.281  11.580
   93   HD22  LEU  13          HD22      LEU  13  -8.367  -1.471  10.056
   94   HD23  LEU  13          HD23      LEU  13  -9.872  -1.117  10.905
   95    HA   PRO  14           HA       PRO  14  -5.067  -2.991  15.542
   96    HB2  PRO  14           HB2      PRO  14  -2.122  -2.825  15.152
   97    HB3  PRO  14           HB1      PRO  14  -3.202  -4.222  14.981
   98    HG2  PRO  14           HG2      PRO  14  -2.116  -3.030  12.847
   99    HG3  PRO  14           HG1      PRO  14  -3.759  -3.695  12.802
  100    HD2  PRO  14           HD2      PRO  14  -2.897  -0.834  13.111
  101    HD3  PRO  14           HD1      PRO  14  -4.214  -1.505  12.124
  102    H    LEU  15           HN       LEU  15  -2.154  -0.933  15.694
  103    HA   LEU  15           HA       LEU  15  -2.159  -0.791  18.518
  104    HB2  LEU  15           HB2      LEU  15  -0.773   0.893  16.429
  105    HB3  LEU  15           HB1      LEU  15  -0.494   1.075  18.157
  106    HG   LEU  15           HG       LEU  15  -0.159  -1.543  16.664
  107   HD11  LEU  15          HD11      LEU  15   2.306  -1.053  16.916
  108   HD12  LEU  15          HD12      LEU  15   1.868   0.589  17.386
  109   HD13  LEU  15          HD13      LEU  15   1.466  -0.004  15.775
  110   HD21  LEU  15          HD21      LEU  15   0.275  -0.634  19.502
  111   HD22  LEU  15          HD22      LEU  15   1.381  -1.834  18.835
  112   HD23  LEU  15          HD23      LEU  15  -0.344  -2.169  18.895
  113    H    LEU  16           HN       LEU  16  -3.428   1.346  16.015
  114    HA   LEU  16           HA       LEU  16  -4.036   3.565  17.610
  115    HB2  LEU  16           HB2      LEU  16  -4.180   3.622  15.162
  116    HB3  LEU  16           HB1      LEU  16  -5.514   2.474  15.198
  117    HG   LEU  16           HG       LEU  16  -6.910   4.088  16.410
  118   HD11  LEU  16          HD11      LEU  16  -5.476   5.369  17.752
  119   HD12  LEU  16          HD12      LEU  16  -5.911   6.512  16.485
  120   HD13  LEU  16          HD13      LEU  16  -4.354   5.686  16.429
  121   HD21  LEU  16          HD21      LEU  16  -6.955   5.887  14.597
  122   HD22  LEU  16          HD22      LEU  16  -7.080   4.222  14.032
  123   HD23  LEU  16          HD23      LEU  16  -5.547   5.084  13.899
  124    H    ASN  17           HN       ASN  17  -5.864   0.618  16.937
  125    HA   ASN  17           HA       ASN  17  -8.238   1.305  18.294
  126    HB2  ASN  17           HB2      ASN  17  -8.181  -0.570  16.768
  127    HB3  ASN  17           HB1      ASN  17  -6.982  -1.395  17.762
  128   HD21  ASN  17          HD21      ASN  17 -10.360  -0.183  17.843
  129   HD22  ASN  17          HD22      ASN  17 -10.893  -1.299  19.006
  130    H    VAL  18           HN       VAL  18  -5.224  -0.182  19.400
  131    HA   VAL  18           HA       VAL  18  -6.084  -0.914  21.987
  132    HB   VAL  18           HB       VAL  18  -3.349  -0.180  20.923
  133   HG11  VAL  18          HG11      VAL  18  -2.618  -1.536  22.994
  134   HG12  VAL  18          HG12      VAL  18  -4.238  -1.224  23.614
  135   HG13  VAL  18          HG13      VAL  18  -3.154   0.122  23.264
  136   HG21  VAL  18          HG21      VAL  18  -3.063  -2.669  21.008
  137   HG22  VAL  18          HG22      VAL  18  -4.318  -2.155  19.882
  138   HG23  VAL  18          HG23      VAL  18  -4.763  -2.809  21.458
  139    H    ILE  19           HN       ILE  19  -4.485   2.039  20.792
  140    HA   ILE  19           HA       ILE  19  -4.438   3.362  23.311
  141    HB   ILE  19           HB       ILE  19  -4.505   4.614  20.555
  142   HG12  ILE  19          HG12      ILE  19  -2.707   2.983  20.640
  143   HG13  ILE  19          HG11      ILE  19  -2.013   4.594  20.760
  144   HG21  ILE  19          HG21      ILE  19  -4.859   6.276  22.248
  145   HG22  ILE  19          HG22      ILE  19  -3.170   6.394  21.759
  146   HG23  ILE  19          HG23      ILE  19  -3.594   5.592  23.270
  147   HD11  ILE  19          HD11      ILE  19  -2.229   4.165  23.364
  148   HD12  ILE  19          HD12      ILE  19  -0.879   3.483  22.462
  149   HD13  ILE  19          HD13      ILE  19  -2.264   2.474  22.870
  150    H    ALA  20           HN       ALA  20  -6.717   3.384  20.586
  151    HA   ALA  20           HA       ALA  20  -8.474   5.287  21.834
  152    HB1  ALA  20           HB1      ALA  20  -9.107   3.356  19.591
  153    HB2  ALA  20           HB2      ALA  20  -8.335   4.924  19.357
  154    HB3  ALA  20           HB3      ALA  20  -9.975   4.837  19.997
  155    HN1  NH2  21           H2       NH2  21  -9.481   1.539  23.002
  156    HN2  NH2  21           H1       NH2  21  -8.091   1.823  22.072
  Start of MODEL   49
    1    H1   ACE   0           HA2      ACE   0  -0.067  -4.662  -4.505
    2    H2   ACE   0           HA3      ACE   0   0.515  -5.858  -5.663
    3    H3   ACE   0           HA1      ACE   0   1.333  -4.304  -5.515
    4    H    LEU   1           HN       LEU   1   0.196  -5.824  -2.633
    5    HA   LEU   1           HA       LEU   1   1.318  -6.555  -0.763
    6    HB2  LEU   1           HB2      LEU   1   2.844  -7.988  -2.943
    7    HB3  LEU   1           HB1      LEU   1   3.013  -8.351  -1.227
    8    HG   LEU   1           HG       LEU   1   0.361  -8.408  -2.696
    9   HD11  LEU   1          HD11      LEU   1   0.622 -10.870  -2.700
   10   HD12  LEU   1          HD12      LEU   1   2.248 -10.691  -2.040
   11   HD13  LEU   1          HD13      LEU   1   1.880 -10.085  -3.655
   12   HD21  LEU   1          HD21      LEU   1  -0.063 -10.014  -0.632
   13   HD22  LEU   1          HD22      LEU   1  -0.167  -8.271  -0.417
   14   HD23  LEU   1          HD23      LEU   1   1.286  -9.134   0.084
   15    H    GLY   2           HN       GLY   2   2.547  -4.283  -2.637
   16    HA2  GLY   2           HA2      GLY   2   5.197  -4.150  -1.307
   17    HA3  GLY   2           HA1      GLY   2   4.769  -3.327  -2.806
   18    H    LEU   3           HN       LEU   3   2.446  -2.117  -2.303
   19    HA   LEU   3           HA       LEU   3   3.164   0.144  -0.748
   20    HB2  LEU   3           HB2      LEU   3   0.386  -0.654  -1.653
   21    HB3  LEU   3           HB1      LEU   3   0.950   0.967  -1.247
   22    HG   LEU   3           HG       LEU   3   2.017  -0.722  -3.531
   23   HD11  LEU   3          HD11      LEU   3  -0.269   0.024  -3.970
   24   HD12  LEU   3          HD12      LEU   3   0.853   0.965  -4.953
   25   HD13  LEU   3          HD13      LEU   3   0.150   1.670  -3.498
   26   HD21  LEU   3          HD21      LEU   3   3.773   0.727  -2.906
   27   HD22  LEU   3          HD22      LEU   3   2.670   2.026  -2.459
   28   HD23  LEU   3          HD23      LEU   3   2.939   1.641  -4.159
   29    H    LEU   4           HN       LEU   4   1.322  -2.756  -0.095
   30    HA   LEU   4           HA       LEU   4   0.014  -1.955   2.261
   31    HB2  LEU   4           HB2      LEU   4   0.881  -4.614   1.151
   32    HB3  LEU   4           HB1      LEU   4   0.172  -4.521   2.758
   33    HG   LEU   4           HG       LEU   4  -1.468  -4.995   0.887
   34   HD11  LEU   4          HD11      LEU   4  -3.186  -3.838   1.925
   35   HD12  LEU   4          HD12      LEU   4  -2.247  -2.361   2.111
   36   HD13  LEU   4          HD13      LEU   4  -1.947  -3.737   3.172
   37   HD21  LEU   4          HD21      LEU   4  -2.061  -3.270  -0.656
   38   HD22  LEU   4          HD22      LEU   4  -0.303  -3.381  -0.700
   39   HD23  LEU   4          HD23      LEU   4  -1.080  -2.075   0.193
   40    H    SER   5           HN       SER   5   3.249  -3.312   1.728
   41    HA   SER   5           HA       SER   5   3.954  -3.792   4.389
   42    HB2  SER   5           HB2      SER   5   5.682  -2.879   2.080
   43    HB3  SER   5           HB1      SER   5   6.302  -3.485   3.612
   44    HG   SER   5           HG       SER   5   4.378  -5.019   2.307
   45    H    TYR   6           HN       TYR   6   4.259  -0.819   2.454
   46    HA   TYR   6           HA       TYR   6   5.475   0.720   4.520
   47    HB2  TYR   6           HB2      TYR   6   3.955   1.512   2.030
   48    HB3  TYR   6           HB1      TYR   6   4.728   2.674   3.108
   49    HD1  TYR   6           HD1      TYR   6   7.226   2.380   3.611
   50    HD2  TYR   6           HD2      TYR   6   5.225   0.376   0.380
   51    HE1  TYR   6           HE1      TYR   6   9.411   1.968   2.514
   52    HE2  TYR   6           HE2      TYR   6   7.410  -0.035  -0.717
   53    HH   TYR   6           HH       TYR   6   9.722  -0.143  -0.222
   54    H    GLY   7           HN       GLY   7   2.133   0.238   3.470
   55    HA2  GLY   7           HA2      GLY   7   1.115   2.004   5.580
   56    HA3  GLY   7           HA1      GLY   7   0.169   1.240   4.305
   57    H    ALA   8           HN       ALA   8   2.383  -0.843   5.848
   58    HA   ALA   8           HA       ALA   8   0.423  -2.635   6.750
   59    HB1  ALA   8           HB1      ALA   8   3.286  -2.333   7.687
   60    HB2  ALA   8           HB2      ALA   8   2.740  -3.312   6.326
   61    HB3  ALA   8           HB3      ALA   8   2.260  -3.741   7.967
   62    H    GLY   9           HN       GLY   9   1.871   0.147   8.284
   63    HA2  GLY   9           HA2      GLY   9  -0.070   0.003  10.438
   64    HA3  GLY   9           HA1      GLY   9   1.606  -0.190  10.952
   65    H    VAL  10           HN       VAL  10   2.271   1.656  11.830
   66    HA   VAL  10           HA       VAL  10   2.816   3.864  12.098
   67    HB   VAL  10           HB       VAL  10   2.049   4.227   9.200
   68   HG11  VAL  10          HG11      VAL  10   2.483   6.318  10.321
   69   HG12  VAL  10          HG12      VAL  10   3.907   5.934   9.358
   70   HG13  VAL  10          HG13      VAL  10   3.924   5.662  11.098
   71   HG21  VAL  10          HG21      VAL  10   3.560   2.321   9.343
   72   HG22  VAL  10          HG22      VAL  10   4.629   3.212  10.426
   73   HG23  VAL  10          HG23      VAL  10   4.459   3.715   8.743
   74    H    ALA  11           HN       ALA  11  -0.240   2.809  11.207
   75    HA   ALA  11           HA       ALA  11  -1.528   4.967  12.588
   76    HB1  ALA  11           HB1      ALA  11  -1.774   4.758   9.588
   77    HB2  ALA  11           HB2      ALA  11  -1.388   6.181  10.556
   78    HB3  ALA  11           HB3      ALA  11  -3.020   5.517  10.578
   79    H    SER  12           HN       SER  12  -1.832   2.214  10.399
   80    HA   SER  12           HA       SER  12  -4.488   1.538  11.346
   81    HB2  SER  12           HB2      SER  12  -3.979   1.058   9.038
   82    HB3  SER  12           HB1      SER  12  -2.550   0.135   9.496
   83    HG   SER  12           HG       SER  12  -3.959  -1.318  10.582
   84    H    LEU  13           HN       LEU  13  -1.639   1.380  12.848
   85    HA   LEU  13           HA       LEU  13  -2.394  -1.061  14.321
   86    HB2  LEU  13           HB2      LEU  13  -0.092  -0.804  12.627
   87    HB3  LEU  13           HB1      LEU  13   0.492  -0.871  14.284
   88    HG   LEU  13           HG       LEU  13  -1.505  -2.860  13.159
   89   HD11  LEU  13          HD11      LEU  13   0.485  -4.392  13.016
   90   HD12  LEU  13          HD12      LEU  13   1.519  -2.989  13.291
   91   HD13  LEU  13          HD13      LEU  13   0.513  -3.072  11.845
   92   HD21  LEU  13          HD21      LEU  13   0.251  -2.756  15.632
   93   HD22  LEU  13          HD22      LEU  13  -0.564  -4.222  15.091
   94   HD23  LEU  13          HD23      LEU  13  -1.510  -2.814  15.571
   95    HA   PRO  14           HA       PRO  14   0.145   1.738  17.286
   96    HB2  PRO  14           HB2      PRO  14   0.328   4.363  15.909
   97    HB3  PRO  14           HB1      PRO  14   1.607   3.421  16.700
   98    HG2  PRO  14           HG2      PRO  14   1.494   3.687  14.034
   99    HG3  PRO  14           HG1      PRO  14   2.052   2.186  14.800
  100    HD2  PRO  14           HD2      PRO  14  -0.647   2.795  13.609
  101    HD3  PRO  14           HD1      PRO  14   0.351   1.335  13.439
  102    H    LEU  15           HN       LEU  15  -1.629   4.189  15.405
  103    HA   LEU  15           HA       LEU  15  -3.056   5.213  17.625
  104    HB2  LEU  15           HB2      LEU  15  -3.524   5.456  14.648
  105    HB3  LEU  15           HB1      LEU  15  -4.447   6.347  15.855
  106    HG   LEU  15           HG       LEU  15  -1.422   6.445  15.644
  107   HD11  LEU  15          HD11      LEU  15  -3.480   8.408  14.586
  108   HD12  LEU  15          HD12      LEU  15  -2.483   7.339  13.598
  109   HD13  LEU  15          HD13      LEU  15  -1.730   8.622  14.543
  110   HD21  LEU  15          HD21      LEU  15  -3.496   7.857  17.323
  111   HD22  LEU  15          HD22      LEU  15  -2.015   8.710  16.894
  112   HD23  LEU  15          HD23      LEU  15  -1.929   7.206  17.801
  113    H    LEU  16           HN       LEU  16  -3.851   2.864  15.121
  114    HA   LEU  16           HA       LEU  16  -6.581   2.570  15.693
  115    HB2  LEU  16           HB2      LEU  16  -5.499   1.691  13.654
  116    HB3  LEU  16           HB1      LEU  16  -4.640   0.502  14.629
  117    HG   LEU  16           HG       LEU  16  -6.798  -0.476  15.341
  118   HD11  LEU  16          HD11      LEU  16  -7.875   1.839  13.745
  119   HD12  LEU  16          HD12      LEU  16  -8.414   1.208  15.301
  120   HD13  LEU  16          HD13      LEU  16  -8.807   0.343  13.821
  121   HD21  LEU  16          HD21      LEU  16  -5.757  -1.451  13.398
  122   HD22  LEU  16          HD22      LEU  16  -6.354  -0.156  12.359
  123   HD23  LEU  16          HD23      LEU  16  -7.482  -1.323  13.053
  124    H    ASN  17           HN       ASN  17  -3.731   0.926  17.022
  125    HA   ASN  17           HA       ASN  17  -5.106  -0.980  18.579
  126    HB2  ASN  17           HB2      ASN  17  -2.727  -1.192  18.170
  127    HB3  ASN  17           HB1      ASN  17  -2.410   0.324  19.012
  128   HD21  ASN  17          HD21      ASN  17  -3.525  -3.034  19.501
  129   HD22  ASN  17          HD22      ASN  17  -3.202  -3.069  21.168
  130    H    VAL  18           HN       VAL  18  -4.069   2.335  19.278
  131    HA   VAL  18           HA       VAL  18  -4.777   2.361  22.015
  132    HB   VAL  18           HB       VAL  18  -4.595   4.590  19.973
  133   HG11  VAL  18          HG11      VAL  18  -4.399   6.017  22.103
  134   HG12  VAL  18          HG12      VAL  18  -5.091   4.638  22.958
  135   HG13  VAL  18          HG13      VAL  18  -6.014   5.442  21.688
  136   HG21  VAL  18          HG21      VAL  18  -2.747   3.535  22.134
  137   HG22  VAL  18          HG22      VAL  18  -2.477   5.049  21.274
  138   HG23  VAL  18          HG23      VAL  18  -2.464   3.521  20.393
  139    H    ILE  19           HN       ILE  19  -6.561   3.300  19.090
  140    HA   ILE  19           HA       ILE  19  -8.931   4.117  20.405
  141    HB   ILE  19           HB       ILE  19  -8.452   3.084  17.598
  142   HG12  ILE  19          HG12      ILE  19  -8.980   5.895  18.599
  143   HG13  ILE  19          HG11      ILE  19  -7.358   5.244  18.364
  144   HG21  ILE  19          HG21      ILE  19 -10.684   4.282  17.182
  145   HG22  ILE  19          HG22      ILE  19 -10.914   4.232  18.930
  146   HG23  ILE  19          HG23      ILE  19 -10.774   2.731  18.016
  147   HD11  ILE  19          HD11      ILE  19  -8.261   6.557  16.396
  148   HD12  ILE  19          HD12      ILE  19  -9.463   5.283  16.185
  149   HD13  ILE  19          HD13      ILE  19  -7.748   4.915  16.010
  150    H    ALA  20           HN       ALA  20  -7.877   1.036  19.022
  151    HA   ALA  20           HA       ALA  20 -10.309  -0.361  19.596
  152    HB1  ALA  20           HB1      ALA  20  -7.513  -1.358  19.008
  153    HB2  ALA  20           HB2      ALA  20  -8.837  -1.184  17.857
  154    HB3  ALA  20           HB3      ALA  20  -8.933  -2.395  19.136
  155    HN1  NH2  21           H2       NH2  21  -7.828  -0.654  22.825
  156    HN2  NH2  21           H1       NH2  21  -7.304   0.159  21.431
  Start of MODEL   50
    1    H1   ACE   0           HA2      ACE   0   0.634  -5.174  -0.263
    2    H2   ACE   0           HA3      ACE   0   0.009  -6.786   0.090
    3    H3   ACE   0           HA1      ACE   0  -0.573  -5.903  -1.321
    4    H    LEU   1           HN       LEU   1   1.482  -5.067  -2.674
    5    HA   LEU   1           HA       LEU   1   2.619  -7.365  -3.861
    6    HB2  LEU   1           HB2      LEU   1   3.338  -4.436  -4.047
    7    HB3  LEU   1           HB1      LEU   1   4.075  -5.678  -5.057
    8    HG   LEU   1           HG       LEU   1   1.081  -5.220  -4.886
    9   HD11  LEU   1          HD11      LEU   1   3.002  -4.252  -7.025
   10   HD12  LEU   1          HD12      LEU   1   2.311  -3.224  -5.769
   11   HD13  LEU   1          HD13      LEU   1   1.260  -3.977  -6.969
   12   HD21  LEU   1          HD21      LEU   1   1.374  -7.371  -5.782
   13   HD22  LEU   1          HD22      LEU   1   2.892  -6.950  -6.574
   14   HD23  LEU   1          HD23      LEU   1   1.362  -6.386  -7.241
   15    H    GLY   2           HN       GLY   2   3.912  -4.964  -1.603
   16    HA2  GLY   2           HA2      GLY   2   5.931  -6.878  -0.696
   17    HA3  GLY   2           HA1      GLY   2   6.534  -5.382  -1.399
   18    H    LEU   3           HN       LEU   3   3.631  -5.776   0.567
   19    HA   LEU   3           HA       LEU   3   2.947  -4.786   2.494
   20    HB2  LEU   3           HB2      LEU   3   4.167  -5.603   4.227
   21    HB3  LEU   3           HB1      LEU   3   5.213  -6.267   2.984
   22    HG   LEU   3           HG       LEU   3   6.438  -3.964   3.101
   23   HD11  LEU   3          HD11      LEU   3   4.426  -3.530   5.103
   24   HD12  LEU   3          HD12      LEU   3   5.755  -2.471   4.645
   25   HD13  LEU   3          HD13      LEU   3   5.978  -3.647   5.933
   26   HD21  LEU   3          HD21      LEU   3   7.487  -6.025   3.761
   27   HD22  LEU   3          HD22      LEU   3   6.573  -6.071   5.269
   28   HD23  LEU   3          HD23      LEU   3   7.809  -4.837   5.025
   29    H    LEU   4           HN       LEU   4   4.926  -3.251   0.353
   30    HA   LEU   4           HA       LEU   4   5.665  -0.879   1.681
   31    HB2  LEU   4           HB2      LEU   4   6.562  -1.493  -0.516
   32    HB3  LEU   4           HB1      LEU   4   4.958  -1.343  -1.227
   33    HG   LEU   4           HG       LEU   4   4.910   1.051  -0.705
   34   HD11  LEU   4          HD11      LEU   4   7.470   0.380   0.736
   35   HD12  LEU   4          HD12      LEU   4   6.117   1.377   1.273
   36   HD13  LEU   4          HD13      LEU   4   7.247   1.998   0.073
   37   HD21  LEU   4          HD21      LEU   4   6.661   1.776  -2.250
   38   HD22  LEU   4          HD22      LEU   4   5.964   0.260  -2.821
   39   HD23  LEU   4          HD23      LEU   4   7.532   0.260  -2.014
   40    H    SER   5           HN       SER   5   2.749  -1.740  -0.165
   41    HA   SER   5           HA       SER   5   1.459   0.783   0.172
   42    HB2  SER   5           HB2      SER   5  -0.571  -0.427  -0.558
   43    HB3  SER   5           HB1      SER   5   0.802  -0.774  -1.604
   44    HG   SER   5           HG       SER   5   0.937  -2.528   0.310
   45    H    TYR   6           HN       TYR   6   1.552  -2.222   1.976
   46    HA   TYR   6           HA       TYR   6  -0.547  -1.699   3.792
   47    HB2  TYR   6           HB2      TYR   6   0.384  -3.930   3.528
   48    HB3  TYR   6           HB1      TYR   6   1.958  -3.369   4.087
   49    HD1  TYR   6           HD2      TYR   6  -1.605  -3.774   5.115
   50    HD2  TYR   6           HD1      TYR   6   2.462  -3.263   6.398
   51    HE1  TYR   6           HE2      TYR   6  -2.291  -4.205   7.457
   52    HE2  TYR   6           HE1      TYR   6   1.776  -3.696   8.744
   53    HH   TYR   6           HH       TYR   6  -0.406  -5.115   9.783
   54    H    GLY   7           HN       GLY   7   2.931  -1.021   3.906
   55    HA2  GLY   7           HA2      GLY   7   2.831   0.156   6.532
   56    HA3  GLY   7           HA1      GLY   7   4.206   0.160   5.435
   57    H    ALA   8           HN       ALA   8   1.610   1.281   3.701
   58    HA   ALA   8           HA       ALA   8   2.602   3.955   3.626
   59    HB1  ALA   8           HB1      ALA   8   1.483   2.983   1.683
   60    HB2  ALA   8           HB2      ALA   8   0.608   4.414   2.226
   61    HB3  ALA   8           HB3      ALA   8  -0.008   2.809   2.607
   62    H    GLY   9           HN       GLY   9   0.721   2.347   5.864
   63    HA2  GLY   9           HA2      GLY   9  -0.022   4.837   7.188
   64    HA3  GLY   9           HA1      GLY   9  -1.361   3.790   6.720
   65    H    VAL  10           HN       VAL  10   1.859   3.387   8.198
   66    HA   VAL  10           HA       VAL  10   1.201   1.099   9.703
   67    HB   VAL  10           HB       VAL  10   3.333   3.203  10.099
   68   HG11  VAL  10          HG11      VAL  10   2.854   0.555  11.490
   69   HG12  VAL  10          HG12      VAL  10   3.046   2.141  12.235
   70   HG13  VAL  10          HG13      VAL  10   4.427   1.352  11.473
   71   HG21  VAL  10          HG21      VAL  10   3.429   0.392   8.962
   72   HG22  VAL  10          HG22      VAL  10   4.788   1.508   9.084
   73   HG23  VAL  10          HG23      VAL  10   3.442   1.874   8.006
   74    H    ALA  11           HN       ALA  11   1.228   4.545  10.548
   75    HA   ALA  11           HA       ALA  11   0.599   4.348  13.262
   76    HB1  ALA  11           HB1      ALA  11  -0.398   6.646  12.939
   77    HB2  ALA  11           HB2      ALA  11  -0.101   6.452  11.211
   78    HB3  ALA  11           HB3      ALA  11   1.252   6.463  12.342
   79    H    SER  12           HN       SER  12  -1.212   3.323  10.646
   80    HA   SER  12           HA       SER  12  -3.847   3.965  11.572
   81    HB2  SER  12           HB2      SER  12  -3.153   3.433   9.181
   82    HB3  SER  12           HB1      SER  12  -3.110   1.743   9.675
   83    HG   SER  12           HG       SER  12  -5.233   3.355   9.142
   84    H    LEU  13           HN       LEU  13  -1.575   1.721  12.699
   85    HA   LEU  13           HA       LEU  13  -3.705  -0.078  13.727
   86    HB2  LEU  13           HB2      LEU  13  -1.116  -0.585  12.509
   87    HB3  LEU  13           HB1      LEU  13  -1.175  -1.317  14.108
   88    HG   LEU  13           HG       LEU  13  -3.398  -2.359  13.413
   89   HD11  LEU  13          HD11      LEU  13  -3.974  -2.395  11.074
   90   HD12  LEU  13          HD12      LEU  13  -2.469  -1.591  10.633
   91   HD13  LEU  13          HD13      LEU  13  -3.719  -0.703  11.500
   92   HD21  LEU  13          HD21      LEU  13  -2.251  -4.045  11.899
   93   HD22  LEU  13          HD22      LEU  13  -1.413  -3.728  13.420
   94   HD23  LEU  13          HD23      LEU  13  -0.837  -2.992  11.925
   95    HA   PRO  14           HA       PRO  14  -0.704   0.652  17.520
   96    HB2  PRO  14           HB2      PRO  14   0.243   3.401  16.785
   97    HB3  PRO  14           HB1      PRO  14   1.113   2.090  17.609
   98    HG2  PRO  14           HG2      PRO  14   1.614   2.684  15.063
   99    HG3  PRO  14           HG1      PRO  14   1.615   1.004  15.634
  100    HD2  PRO  14           HD2      PRO  14  -0.472   2.444  14.034
  101    HD3  PRO  14           HD1      PRO  14   0.057   0.755  13.937
  102    H    LEU  15           HN       LEU  15  -2.091   3.579  16.008
  103    HA   LEU  15           HA       LEU  15  -3.155   4.670  18.395
  104    HB2  LEU  15           HB2      LEU  15  -3.907   5.054  15.492
  105    HB3  LEU  15           HB1      LEU  15  -4.624   5.980  16.807
  106    HG   LEU  15           HG       LEU  15  -1.632   5.816  16.342
  107   HD11  LEU  15          HD11      LEU  15  -1.874   8.074  15.301
  108   HD12  LEU  15          HD12      LEU  15  -3.626   7.881  15.362
  109   HD13  LEU  15          HD13      LEU  15  -2.657   6.803  14.360
  110   HD21  LEU  15          HD21      LEU  15  -1.900   8.114  17.613
  111   HD22  LEU  15          HD22      LEU  15  -1.948   6.615  18.532
  112   HD23  LEU  15          HD23      LEU  15  -3.449   7.446  18.125
  113    H    LEU  16           HN       LEU  16  -4.517   2.571  15.900
  114    HA   LEU  16           HA       LEU  16  -7.149   2.472  16.914
  115    HB2  LEU  16           HB2      LEU  16  -5.527   0.709  15.096
  116    HB3  LEU  16           HB1      LEU  16  -7.122   0.186  15.624
  117    HG   LEU  16           HG       LEU  16  -7.124   1.407  13.430
  118   HD11  LEU  16          HD11      LEU  16  -8.638   3.171  15.331
  119   HD12  LEU  16          HD12      LEU  16  -9.038   1.454  15.287
  120   HD13  LEU  16          HD13      LEU  16  -9.161   2.425  13.825
  121   HD21  LEU  16          HD21      LEU  16  -6.510   3.871  15.078
  122   HD22  LEU  16          HD22      LEU  16  -6.623   3.740  13.323
  123   HD23  LEU  16          HD23      LEU  16  -5.273   2.995  14.179
  124    H    ASN  17           HN       ASN  17  -4.262   0.572  17.584
  125    HA   ASN  17           HA       ASN  17  -5.433  -1.484  19.090
  126    HB2  ASN  17           HB2      ASN  17  -3.121  -1.592  18.328
  127    HB3  ASN  17           HB1      ASN  17  -2.695  -0.221  19.352
  128   HD21  ASN  17          HD21      ASN  17  -4.159  -3.512  19.644
  129   HD22  ASN  17          HD22      ASN  17  -3.456  -3.839  21.154
  130    H    VAL  18           HN       VAL  18  -4.314   1.743  20.046
  131    HA   VAL  18           HA       VAL  18  -4.625   1.420  22.835
  132    HB   VAL  18           HB       VAL  18  -4.835   3.905  21.115
  133   HG11  VAL  18          HG11      VAL  18  -4.780   3.499  24.110
  134   HG12  VAL  18          HG12      VAL  18  -5.928   4.438  23.158
  135   HG13  VAL  18          HG13      VAL  18  -4.277   5.017  23.368
  136   HG21  VAL  18          HG21      VAL  18  -2.593   2.677  22.749
  137   HG22  VAL  18          HG22      VAL  18  -2.524   4.283  22.024
  138   HG23  VAL  18          HG23      VAL  18  -2.641   2.855  20.995
  139    H    ILE  19           HN       ILE  19  -6.833   2.639  20.332
  140    HA   ILE  19           HA       ILE  19  -9.010   3.184  22.063
  141    HB   ILE  19           HB       ILE  19  -9.093   2.397  19.142
  142   HG12  ILE  19          HG12      ILE  19  -7.563   4.272  19.457
  143   HG13  ILE  19          HG11      ILE  19  -9.054   4.853  18.726
  144   HG21  ILE  19          HG21      ILE  19 -11.038   3.813  20.974
  145   HG22  ILE  19          HG22      ILE  19 -11.296   2.323  20.066
  146   HG23  ILE  19          HG23      ILE  19 -11.167   3.862  19.215
  147   HD11  ILE  19          HD11      ILE  19  -8.668   6.439  20.407
  148   HD12  ILE  19          HD12      ILE  19  -8.053   5.237  21.538
  149   HD13  ILE  19          HD13      ILE  19  -9.779   5.329  21.205
  150    H    ALA  20           HN       ALA  20  -8.113   0.330  20.155
  151    HA   ALA  20           HA       ALA  20 -10.395  -1.218  20.830
  152    HB1  ALA  20           HB1      ALA  20  -8.752  -1.672  18.950
  153    HB2  ALA  20           HB2      ALA  20  -9.210  -3.078  19.911
  154    HB3  ALA  20           HB3      ALA  20  -7.650  -2.299  20.177
  155    HN1  NH2  21           H2       NH2  21  -7.552  -2.016  23.692
  156    HN2  NH2  21           H1       NH2  21  -7.059  -1.349  22.210