*HEADER    MEMBRANE PROTEIN                        10-AUG-12   2LX0              
*TITLE     ARCED HELIX (ARCH) NMR STRUCTURE OF THE REOVIRUS P14 FUSION-ASSOCIATED
*TITLE    2 SMALL TRANSMEMBRANE (FAST) PROTEIN TRANSMEMBRANE DOMAIN (TMD) IN     
*TITLE    3 DODECYL PHOSPHOCHOLINE (DPC) MICELLES                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MEMBRANE FUSION PROTEIN P14;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TRANSMEMBRANE DOMAIN;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    MEMBRANE FUSION PROTEIN TRANSMEMBRANE DOMAIN, P14 FAST PROTEIN TMD,   
*KEYWDS   2 ARCH, MICELLE-PEPTIDE COMPLEX, MEMBRANE PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    50                                                                    
*AUTHOR    M.SARKER, T.KEY, R.DUNCAN, J.K.RAINEY                                 
*REVDAT   1   05-SEP-12 2LX0    0                                                


! Restraints for the p14 TMD structure calculation
! Calculated by XPLOR-NIH
! Total 17 rounds of structure refinements
! Rounds 1-13 with NOEs only, gradually moving from 0.5 A violations in 50% structures to 0.1 A violations in 10 % structures
! Round 14 with refined NOEs plus hbonds (classical) & dihedrals (core allowed) for residues 9-27 based on the characteristic NOEs
! Rounds 15-17 further refinements by removing consistently violated 5 hbonds and loosening the violated dihedrals (additional allowed)

! NOEs autogenerated using SparkyNOEcal5.tcl from Sparky peak list:
! new_p14tmd_noe_cal.prn
 
! Intraresidue NOEs
 
! =========== Intraresidue contacts to residue 1 ============
assign (resid   1 and name HB*) (resid   1 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   1 and name HG*) (resid   1 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   1 and name HE*) (resid   1 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== Intraresidue contacts to residue 2 ============
assign (resid   2 and name HG*) (resid   2 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   2 and name HB*) (resid   2 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   2 and name HE*) (resid   2 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   2 and name HA) (resid   2 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   2 and name HG*) (resid   2 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   2 and name HA) (resid   2 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   2 and name HE*) (resid   2 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   2 and name HB*) (resid   2 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   2 and name HB*) (resid   2 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   2 and name HA) (resid   2 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   2 and name HE*) (resid   2 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== Intraresidue contacts to residue 3 ============
! assign (resid   3 and name HB*) (resid   3 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
! assign (resid   3 and name HB*) (resid   3 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   3 and name HB*) (resid   3 and name HD2)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   3 and name HB*) (resid   3 and name HD2)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   3 and name HD2) (resid   3 and name HE1)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (60 viol avg 0.208)
assign (resid   3 and name HA) (resid   3 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   3 and name HE1) (resid   3 and name HD2)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   3 and name HA) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   3 and name HA) (resid   3 and name HD2)  3.400 1.600 1.600 ! no changes - calc dist 4.129
! assign (resid   3 and name HD2) (resid   3 and name HD2)  3.400 1.600 1.600 ! geminal protons with same pseudoatom name
assign (resid   3 and name HD2) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   3 and name HB*) (resid   3 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   3 and name HD2) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   3 and name HN) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   3 and name HB*) (resid   3 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   3 and name HN) (resid   3 and name HD2)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (68 viol avg 0.267)
assign (resid   3 and name HB*) (resid   3 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   3 and name HN) (resid   3 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   3 and name HA) (resid   3 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   3 and name HA) (resid   3 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   3 and name HB*) (resid   3 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   3 and name HD2) (resid   3 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   3 and name HB*) (resid   3 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   3 and name HB*) (resid   3 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   3 and name HE1) (resid   3 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== Intraresidue contacts to residue 4 ============
assign (resid   4 and name HA) (resid   4 and name HG2*)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (85 viol avg 0.330)
assign (resid   4 and name HN) (resid   4 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   4 and name HG2*) (resid   4 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   4 and name HA) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
 
! =========== Intraresidue contacts to residue 5 ============
assign (resid   5 and name HB) (resid   5 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.643
assign (resid   5 and name HG1*) (resid   5 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.665
assign (resid   5 and name HG1*) (resid   5 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.755
assign (resid   5 and name HG2*) (resid   5 and name HB)  2.300 0.500 0.500 ! no changes - calc dist 2.765
assign (resid   5 and name HB) (resid   5 and name HD1*)  2.300 0.500 0.500 ! no changes - calc dist 2.797
assign (resid   5 and name HG2*) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 2.802
assign (resid   5 and name HD1*) (resid   5 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 2.928
assign (resid   5 and name HA) (resid   5 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 2.935
! assign (resid   5 and name HG1*) (resid   5 and name HG1*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   5 and name HB) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.990
assign (resid   5 and name HG2*) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.990
assign (resid   5 and name HG1*) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.005
assign (resid   5 and name HG2*) (resid   5 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.005
! assign (resid   5 and name HG1*) (resid   5 and name HG1*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   5 and name HA) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.066
assign (resid   5 and name HG2*) (resid   5 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.116
assign (resid   5 and name HD1*) (resid   5 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.161
assign (resid   5 and name HG1*) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   5 and name HA) (resid   5 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.219
assign (resid   5 and name HD1*) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.219
assign (resid   5 and name HN) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   5 and name HD1*) (resid   5 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.494
assign (resid   5 and name HG1*) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.509
assign (resid   5 and name HD1*) (resid   5 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   5 and name HN) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   5 and name HB) (resid   5 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   5 and name HD1*) (resid   5 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   5 and name HA) (resid   5 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   5 and name HN) (resid   5 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   5 and name HG1*) (resid   5 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   5 and name HB) (resid   5 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   5 and name HG1*) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   5 and name HA) (resid   5 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   5 and name HG1*) (resid   5 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   5 and name HB) (resid   5 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   5 and name HA) (resid   5 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   5 and name HN) (resid   5 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   5 and name HG1*) (resid   5 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   5 and name HG2*) (resid   5 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   5 and name HN) (resid   5 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   5 and name HG1*) (resid   5 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   5 and name HN) (resid   5 and name HG1*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
 
! =========== Intraresidue contacts to residue 6 ============
assign (resid   6 and name HE1) (resid   6 and name HD1)  2.300 0.500 0.500 ! no changes - calc dist 2.238
assign (resid   6 and name HZ3) (resid   6 and name HH2)  2.300 0.500 0.500 ! no changes - calc dist 2.261
assign (resid   6 and name HH2) (resid   6 and name HZ2)  2.300 0.500 0.500 ! no changes - calc dist 2.263
assign (resid   6 and name HZ2) (resid   6 and name HH2)  2.300 0.500 0.500 ! no changes - calc dist 2.303
assign (resid   6 and name HH2) (resid   6 and name HZ3)  2.300 0.500 0.500 ! no changes - calc dist 2.355
assign (resid   6 and name HD1) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   6 and name HE3) (resid   6 and name HZ3)  2.300 0.500 0.500 ! no changes - calc dist 2.441
assign (resid   6 and name HZ3) (resid   6 and name HE3)  2.300 0.500 0.500 ! no changes - calc dist 2.482
assign (resid   6 and name HE1) (resid   6 and name HZ2)  2.900 1.100 1.100 ! no changes - calc dist 2.830
assign (resid   6 and name HZ2) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   6 and name HA) (resid   6 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.050
assign (resid   6 and name HB*) (resid   6 and name HD1)  2.900 1.100 1.100 ! no changes - calc dist 3.152
assign (resid   6 and name HB*) (resid   6 and name HD1)  2.900 1.100 1.100 ! no changes - calc dist 3.161
assign (resid   6 and name HE3) (resid   6 and name HH2)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.259)
assign (resid   6 and name HZ3) (resid   6 and name HZ2)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.261)
assign (resid   6 and name HZ2) (resid   6 and name HZ3)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.261)
assign (resid   6 and name HA) (resid   6 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (98 viol avg 0.325)
assign (resid   6 and name HD1) (resid   6 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.795)
assign (resid   6 and name HB*) (resid   6 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   6 and name HH2) (resid   6 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.259)
assign (resid   6 and name HD1) (resid   6 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   6 and name HB*) (resid   6 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   6 and name HB*) (resid   6 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   6 and name HA) (resid   6 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   6 and name HD1) (resid   6 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   6 and name HA) (resid   6 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   6 and name HB*) (resid   6 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   6 and name HA) (resid   6 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.930
! assign (resid   6 and name HD1) (resid   6 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   6 and name HD1) (resid   6 and name HZ2)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.817)
assign (resid   6 and name HZ2) (resid   6 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.817)
assign (resid   6 and name HN) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   6 and name HN) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   6 and name HE3) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   6 and name HE3) (resid   6 and name HE1)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (100 viol avg 0.263)
! assign (resid   6 and name HD1) (resid   6 and name HH2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   6 and name HE3) (resid   6 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   6 and name HE1) (resid   6 and name HH2)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   6 and name HH2) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   6 and name HA) (resid   6 and name HZ3)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   6 and name HB*) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   6 and name HB*) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   6 and name HE1) (resid   6 and name HE3)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   6 and name HE3) (resid   6 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   6 and name HZ3) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   6 and name HB*) (resid   6 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HE1) (resid   6 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HA) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 6.000
! assign (resid   6 and name HA) (resid   6 and name HZ2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   6 and name HE1) (resid   6 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   6 and name HB*) (resid   6 and name HZ3)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   6 and name HE1) (resid   6 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.546
assign (resid   6 and name HZ3) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
 
! =========== Intraresidue contacts to residue 7 ============
assign (resid   7 and name HB*) (resid   7 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.292
assign (resid   7 and name HA) (resid   7 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.338
assign (resid   7 and name HG*) (resid   7 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.494
assign (resid   7 and name HB*) (resid   7 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.509
assign (resid   7 and name HB*) (resid   7 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   7 and name HA) (resid   7 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   7 and name HA) (resid   7 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   7 and name HG*) (resid   7 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   7 and name HG*) (resid   7 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   7 and name HN) (resid   7 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   7 and name HB*) (resid   7 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.905
! assign (resid   7 and name HB*) (resid   7 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   7 and name HG*) (resid   7 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   7 and name HB*) (resid   7 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   7 and name HG*) (resid   7 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   7 and name HA) (resid   7 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   7 and name HA) (resid   7 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   7 and name HG*) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
! assign (resid   7 and name HB*) (resid   7 and name HB*)  3.400 1.600 1.600 ! geminal protons with same pseudoatom name
assign (resid   7 and name HB*) (resid   7 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   7 and name HB*) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   7 and name HB*) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   7 and name HG*) (resid   7 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   7 and name HG*) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   7 and name HN) (resid   7 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   7 and name HN) (resid   7 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   7 and name HN) (resid   7 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   7 and name HN) (resid   7 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
 
! =========== Intraresidue contacts to residue 8 ============
! assign (resid   8 and name HG**) (resid   8 and name HG**)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   8 and name HG**) (resid   8 and name HG**)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   8 and name HA) (resid   8 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.258
assign (resid   8 and name HG**) (resid   8 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.306
assign (resid   8 and name HA) (resid   8 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.379
assign (resid   8 and name HG**) (resid   8 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.425
assign (resid   8 and name HB) (resid   8 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.683
assign (resid   8 and name HB) (resid   8 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.683
assign (resid   8 and name HN) (resid   8 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 2.928
assign (resid   8 and name HG**) (resid   8 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.083
assign (resid   8 and name HG**) (resid   8 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.091
assign (resid   8 and name HG**) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   8 and name HB) (resid   8 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   8 and name HN) (resid   8 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.524
assign (resid   8 and name HN) (resid   8 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   8 and name HA) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   8 and name HG**) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   8 and name HA) (resid   8 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   8 and name HB) (resid   8 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   8 and name HN) (resid   8 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.982
 
! =========== Intraresidue contacts to residue 9 ============
assign (resid   9 and name HG1*) (resid   9 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.062
assign (resid   9 and name HD1*) (resid   9 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.357
assign (resid   9 and name HG2*) (resid   9 and name HD1*)  2.300 0.500 0.500 ! no changes - calc dist 2.402
assign (resid   9 and name HA) (resid   9 and name HG2*)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (94 viol avg 0.224)
assign (resid   9 and name HB) (resid   9 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.674
assign (resid   9 and name HA) (resid   9 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (100 viol avg 0.142)
assign (resid   9 and name HG1*) (resid   9 and name HD1*)  2.300 0.500 0.500 ! no changes - calc dist 2.781
assign (resid   9 and name HN) (resid   9 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.813
assign (resid   9 and name HG2*) (resid   9 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.099
assign (resid   9 and name HN) (resid   9 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.108
assign (resid   9 and name HD1*) (resid   9 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.134
assign (resid   9 and name HG1*) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.161
assign (resid   9 and name HN) (resid   9 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.199
assign (resid   9 and name HG2*) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   9 and name HB) (resid   9 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.338
assign (resid   9 and name HA) (resid   9 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.350
assign (resid   9 and name HD1*) (resid   9 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   9 and name HB) (resid   9 and name HG1*)  2.900 1.100 1.100 ! no changes - calc dist 3.673
assign (resid   9 and name HN) (resid   9 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   9 and name HB) (resid   9 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   9 and name HB) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   9 and name HG1*) (resid   9 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   9 and name HN) (resid   9 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   9 and name HD1*) (resid   9 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   9 and name HD1*) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   9 and name HA) (resid   9 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.129
 
! =========== Intraresidue contacts to residue 10 ============
assign (resid   10 and name HA) (resid   10 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.172
assign (resid   10 and name HB*) (resid   10 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.387
assign (resid   10 and name HN) (resid   10 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.618
assign (resid   10 and name HB*) (resid   10 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.665
assign (resid   10 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.983
assign (resid   10 and name HN) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.108
 
! =========== Intraresidue contacts to residue 11 ============
assign (resid   11 and name HA*) (resid   11 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.249
assign (resid   11 and name HN) (resid   11 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.386
 
! =========== Intraresidue contacts to residue 12 ============
assign (resid   12 and name HG) (resid   12 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.559
assign (resid   12 and name HG) (resid   12 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.578
assign (resid   12 and name HA) (resid   12 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.598
assign (resid   12 and name HB*) (resid   12 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.618
assign (resid   12 and name HA) (resid   12 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.701
assign (resid   12 and name HD**) (resid   12 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.824
assign (resid   12 and name HD**) (resid   12 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.877
assign (resid   12 and name HB*) (resid   12 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 2.883
! assign (resid   12 and name HB*) (resid   12 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
! assign (resid   12 and name HB*) (resid   12 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   12 and name HA) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.983
assign (resid   12 and name HD**) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.012
assign (resid   12 and name HD**) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.066
assign (resid   12 and name HB*) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   12 and name HN) (resid   12 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.229
assign (resid   12 and name HA) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   12 and name HB*) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   12 and name HD**) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   12 and name HB*) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   12 and name HN) (resid   12 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   12 and name HD**) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.524
assign (resid   12 and name HA) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   12 and name HN) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   12 and name HN) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   12 and name HN) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   12 and name HG) (resid   12 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (95 viol avg 0.171)
assign (resid   12 and name HN) (resid   12 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (95 viol avg 0.171)
assign (resid   12 and name HB*) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.792
 
! =========== Intraresidue contacts to residue 13 ============
! assign (resid   13 and name HG**) (resid   13 and name HG**)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   13 and name HG**) (resid   13 and name HG**)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   13 and name HA) (resid   13 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.495
assign (resid   13 and name HA) (resid   13 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.626
assign (resid   13 and name HB) (resid   13 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.661
assign (resid   13 and name HG**) (resid   13 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.665
assign (resid   13 and name HB) (resid   13 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.669
assign (resid   13 and name HG**) (resid   13 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.730
assign (resid   13 and name HN) (resid   13 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.755
assign (resid   13 and name HN) (resid   13 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 2.962
assign (resid   13 and name HG**) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.020
assign (resid   13 and name HG**) (resid   13 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.074
assign (resid   13 and name HG**) (resid   13 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.116
assign (resid   13 and name HG**) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.170
assign (resid   13 and name HN) (resid   13 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.509
assign (resid   13 and name HB) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   13 and name HA) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   13 and name HB) (resid   13 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   13 and name HN) (resid   13 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   13 and name HA) (resid   13 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.956
 
! =========== Intraresidue contacts to residue 14 ============
assign (resid   14 and name HA) (resid   14 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.277
assign (resid   14 and name HB*) (resid   14 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.411
assign (resid   14 and name HA) (resid   14 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.099
assign (resid   14 and name HN) (resid   14 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.152
 
! =========== Intraresidue contacts to residue 15 ============
assign (resid   15 and name HG) (resid   15 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 1.987
assign (resid   15 and name HD**) (resid   15 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.138
assign (resid   15 and name HG) (resid   15 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.308
assign (resid   15 and name HD**) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.453
assign (resid   15 and name HD**) (resid   15 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.472
assign (resid   15 and name HA) (resid   15 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.571
assign (resid   15 and name HB*) (resid   15 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.674
assign (resid   15 and name HG) (resid   15 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.730
assign (resid   15 and name HA) (resid   15 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.830
assign (resid   15 and name HG) (resid   15 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (47 viol avg 0.308)
assign (resid   15 and name HD**) (resid   15 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.012
assign (resid   15 and name HG) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.012
assign (resid   15 and name HD**) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.020
assign (resid   15 and name HN) (resid   15 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.050
assign (resid   15 and name HN) (resid   15 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (47 viol avg 0.308)
assign (resid   15 and name HD**) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.152
assign (resid   15 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   15 and name HN) (resid   15 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   15 and name HB*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.399
assign (resid   15 and name HD**) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.524
assign (resid   15 and name HN) (resid   15 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   15 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.571
 
! =========== Intraresidue contacts to residue 16 ============
assign (resid   16 and name HB*) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.045
assign (resid   16 and name HA) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.306
assign (resid   16 and name HD**) (resid   16 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.360
assign (resid   16 and name HG) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.450
assign (resid   16 and name HN) (resid   16 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.665
assign (resid   16 and name HD**) (resid   16 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.706
assign (resid   16 and name HD**) (resid   16 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.750
assign (resid   16 and name HD**) (resid   16 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.819
assign (resid   16 and name HB*) (resid   16 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.824
assign (resid   16 and name HB*) (resid   16 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.830
assign (resid   16 and name HG) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.836
assign (resid   16 and name HG) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.853
assign (resid   16 and name HA) (resid   16 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.865
assign (resid   16 and name HN) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.020
assign (resid   16 and name HB*) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.116
assign (resid   16 and name HA) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.125
 
! =========== Intraresidue contacts to residue 17 ============
assign (resid   17 and name HG2*) (resid   17 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.459
assign (resid   17 and name HA) (resid   17 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.466
assign (resid   17 and name HB) (resid   17 and name HG2*)  2.300 0.500 0.500 ! no changes - calc dist 2.506
assign (resid   17 and name HN) (resid   17 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.134
assign (resid   17 and name HB) (resid   17 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   17 and name HN) (resid   17 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.362
assign (resid   17 and name HG2*) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.494
assign (resid   17 and name HB) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   17 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.673
assign (resid   17 and name HG2*) (resid   17 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   17 and name HA) (resid   17 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   17 and name HN) (resid   17 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.634
 
! =========== Intraresidue contacts to residue 18 ============
assign (resid   18 and name HD*) (resid   18 and name HE*)  2.300 0.500 0.500 ! lengthened - calc dist 1.396
assign (resid   18 and name HZ) (resid   18 and name HE*)  2.300 0.500 0.500 ! lengthened - calc dist 1.603
assign (resid   18 and name HE*) (resid   18 and name HZ)  2.300 0.500 0.500 ! lengthened - calc dist 1.606
assign (resid   18 and name HE*) (resid   18 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.294
assign (resid   18 and name HZ) (resid   18 and name HD*)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 0.970)
assign (resid   18 and name HA) (resid   18 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.527
assign (resid   18 and name HD*) (resid   18 and name HZ)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 0.970)
assign (resid   18 and name HA) (resid   18 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.730
assign (resid   18 and name HB*) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.948
assign (resid   18 and name HB*) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.005
assign (resid   18 and name HN) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.091
assign (resid   18 and name HN) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.170
assign (resid   18 and name HA) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   18 and name HB*) (resid   18 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.386
assign (resid   18 and name HB*) (resid   18 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   18 and name HN) (resid   18 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   18 and name HA) (resid   18 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   18 and name HD*) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   18 and name HN) (resid   18 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   18 and name HN) (resid   18 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   18 and name HA) (resid   18 and name HZ)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   18 and name HE*) (resid   18 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.241
 
! =========== Intraresidue contacts to residue 19 ============
assign (resid   19 and name HA) (resid   19 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 1.931
assign (resid   19 and name HG) (resid   19 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.066
assign (resid   19 and name HD**) (resid   19 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.157
assign (resid   19 and name HB*) (resid   19 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.206
assign (resid   19 and name HN) (resid   19 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.277
assign (resid   19 and name HD**) (resid   19 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.277
assign (resid   19 and name HD**) (resid   19 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.379
assign (resid   19 and name HB*) (resid   19 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.506
assign (resid   19 and name HG) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (45 viol avg 0.880)
assign (resid   19 and name HD**) (resid   19 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.556
assign (resid   19 and name HD**) (resid   19 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.674
assign (resid   19 and name HN) (resid   19 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.941
assign (resid   19 and name HA) (resid   19 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.969
assign (resid   19 and name HB*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.170
assign (resid   19 and name HB*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   19 and name HB*) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   19 and name HA) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.292
assign (resid   19 and name HN) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   19 and name HB*) (resid   19 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   19 and name HA) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.438
assign (resid   19 and name HN) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.438
assign (resid   19 and name HG) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   19 and name HG) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   19 and name HB*) (resid   19 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   19 and name HB*) (resid   19 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.730
 
! =========== 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 2.399
assign (resid   20 and name HN) (resid   20 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.499
assign (resid   20 and name HB*) (resid   20 and name HN)  2.300 0.500 0.500 ! no changes - calc dist 2.530
assign (resid   20 and name HB*) (resid   20 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.824
assign (resid   20 and name HA) (resid   20 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.883
assign (resid   20 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.108
 
! =========== Intraresidue contacts to residue 21 ============
assign (resid   21 and name HB*) (resid   21 and name HE*)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 1.127)
assign (resid   21 and name HB*) (resid   21 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.781
assign (resid   21 and name HB*) (resid   21 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.853
assign (resid   21 and name HA) (resid   21 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.948
assign (resid   21 and name HN) (resid   21 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.976
assign (resid   21 and name HD*) (resid   21 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.125
assign (resid   21 and name HA) (resid   21 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.134
assign (resid   21 and name HE*) (resid   21 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.143
assign (resid   21 and name HA) (resid   21 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   21 and name HA) (resid   21 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (92 viol avg 0.879)
assign (resid   21 and name HN) (resid   21 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.956
! assign (resid   21 and name HA) (resid   21 and name HZ)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   21 and name HD*) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   21 and name HN) (resid   21 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   21 and name HB*) (resid   21 and name HZ)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (100 viol avg 0.187)
assign (resid   21 and name HZ) (resid   21 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   21 and name HE*) (resid   21 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   21 and name HN) (resid   21 and name HZ)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== Intraresidue contacts to residue 22 ============
assign (resid   22 and name HA*) (resid   22 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.066
assign (resid   22 and name HN) (resid   22 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.350
 
! =========== Intraresidue contacts to residue 23 ============
assign (resid   23 and name HZ) (resid   23 and name HE*)  2.300 0.500 0.500 ! lengthened - calc dist 1.792
assign (resid   23 and name HE*) (resid   23 and name HZ)  2.300 0.500 0.500 ! no changes - calc dist 1.800
assign (resid   23 and name HD*) (resid   23 and name HZ)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 0.970)
assign (resid   23 and name HA) (resid   23 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.755
assign (resid   23 and name HZ) (resid   23 and name HD*)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (100 viol avg 0.970)
! assign (resid   23 and name HB*) (resid   23 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   23 and name HB*) (resid   23 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.890
! assign (resid   23 and name HB*) (resid   23 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   23 and name HB*) (resid   23 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 2.976
assign (resid   23 and name HB*) (resid   23 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.229
assign (resid   23 and name HD*) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.270
assign (resid   23 and name HD*) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.281
assign (resid   23 and name HA) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   23 and name HB*) (resid   23 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   23 and name HN) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   23 and name HA) (resid   23 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   23 and name HN) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   23 and name HB*) (resid   23 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   23 and name HN) (resid   23 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   23 and name HA) (resid   23 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (40 viol avg 0.664)
assign (resid   23 and name HB*) (resid   23 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   23 and name HB*) (resid   23 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   23 and name HD*) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   23 and name HB*) (resid   23 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   23 and name HE*) (resid   23 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   23 and name HE*) (resid   23 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   23 and name HN) (resid   23 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   23 and name HN) (resid   23 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
! assign (resid   23 and name HA) (resid   23 and name HZ)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid   23 and name HE*) (resid   23 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== Intraresidue contacts to residue 24 ============
assign (resid   24 and name HE1) (resid   24 and name HD1)  2.300 0.500 0.500 ! no changes - calc dist 1.985
assign (resid   24 and name HD1) (resid   24 and name HE1)  2.300 0.500 0.500 ! no changes - calc dist 2.087
assign (resid   24 and name HH2) (resid   24 and name HZ3)  2.300 0.500 0.500 ! no changes - calc dist 2.215
assign (resid   24 and name HZ2) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   24 and name HZ3) (resid   24 and name HH2)  2.300 0.500 0.500 ! no changes - calc dist 2.228
! assign (resid   24 and name HH2) (resid   24 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
! assign (resid   24 and name HD1) (resid   24 and name HH2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign (resid   24 and name HE1) (resid   24 and name HZ2)  2.300 0.500 0.500 ! no changes - calc dist 2.631
assign (resid   24 and name HZ3) (resid   24 and name HE3)  2.300 0.500 0.500 ! no changes - calc dist 2.631
assign (resid   24 and name HE3) (resid   24 and name HZ3)  2.300 0.500 0.500 ! no changes - calc dist 2.692
assign (resid   24 and name HA) (resid   24 and name HD1)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (61 viol avg 0.857)
assign (resid   24 and name HB*) (resid   24 and name HD1)  2.900 1.100 1.100 ! no changes - calc dist 2.890
assign (resid   24 and name HD1) (resid   24 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.666)
! assign (resid   24 and name HD1) (resid   24 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign (resid   24 and name HE3) (resid   24 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.666)
! assign (resid   24 and name HZ3) (resid   24 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign (resid   24 and name HB*) (resid   24 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.249
assign (resid   24 and name HB*) (resid   24 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.292
assign (resid   24 and name HB*) (resid   24 and name HD1)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   24 and name HA) (resid   24 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   24 and name HA) (resid   24 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.386
assign (resid   24 and name HD1) (resid   24 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   24 and name HE3) (resid   24 and name HH2)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.262)
assign (resid   24 and name HN) (resid   24 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   24 and name HN) (resid   24 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.587
! assign (resid   24 and name HB*) (resid   24 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   24 and name HH2) (resid   24 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (100 viol avg 0.262)
assign (resid   24 and name HB*) (resid   24 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.603
! assign (resid   24 and name HB*) (resid   24 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   24 and name HB*) (resid   24 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   24 and name HN) (resid   24 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (59 viol avg 1.164)
assign (resid   24 and name HB*) (resid   24 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   24 and name HB*) (resid   24 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   24 and name HA) (resid   24 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   24 and name HA) (resid   24 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (91 viol avg 0.703)
assign (resid   24 and name HN) (resid   24 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   24 and name HD1) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   24 and name HD1) (resid   24 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   24 and name HE3) (resid   24 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   24 and name HE3) (resid   24 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   24 and name HN) (resid   24 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   24 and name HE3) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   24 and name HE1) (resid   24 and name HH2)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   24 and name HH2) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   24 and name HA) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   24 and name HB*) (resid   24 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   24 and name HE1) (resid   24 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   24 and name HB*) (resid   24 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   24 and name HB*) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.634
! assign (resid   24 and name HZ3) (resid   24 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
! assign (resid   24 and name HA) (resid   24 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   24 and name HE1) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   24 and name HE3) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   24 and name HZ3) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
 
! =========== Intraresidue contacts to residue 25 ============
assign (resid   25 and name HB*) (resid   25 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.268
assign (resid   25 and name HG) (resid   25 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.321
assign (resid   25 and name HD**) (resid   25 and name HG)  2.300 0.500 0.500 ! no changes - calc dist 2.571
assign (resid   25 and name HD**) (resid   25 and name HB*)  2.300 0.500 0.500 ! no changes - calc dist 2.594
assign (resid   25 and name HA) (resid   25 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.639
assign (resid   25 and name HD**) (resid   25 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.730
assign (resid   25 and name HB*) (resid   25 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 2.824
! assign (resid   25 and name HB*) (resid   25 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   25 and name HB*) (resid   25 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   25 and name HA) (resid   25 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.338
assign (resid   25 and name HN) (resid   25 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   25 and name HD**) (resid   25 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   25 and name HB*) (resid   25 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   25 and name HA) (resid   25 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   25 and name HA) (resid   25 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   25 and name HB*) (resid   25 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   25 and name HN) (resid   25 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   25 and name HB*) (resid   25 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   25 and name HB*) (resid   25 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   25 and name HA) (resid   25 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   25 and name HN) (resid   25 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   25 and name HG) (resid   25 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   25 and name HN) (resid   25 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   25 and name HN) (resid   25 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   25 and name HG) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.527
 
! =========== Intraresidue contacts to residue 26 ============
assign (resid   26 and name HD*) (resid   26 and name HE*)  2.300 0.500 0.500 ! lengthened - calc dist 1.455
assign (resid   26 and name HE*) (resid   26 and name HD*)  2.300 0.500 0.500 ! lengthened - calc dist 1.502
assign (resid   26 and name HB*) (resid   26 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.074
assign (resid   26 and name HA) (resid   26 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.116
assign (resid   26 and name HB*) (resid   26 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.116
! assign (resid   26 and name HB*) (resid   26 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   26 and name HB*) (resid   26 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.143
! assign (resid   26 and name HB*) (resid   26 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   26 and name HA) (resid   26 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.229
assign (resid   26 and name HA) (resid   26 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.249
assign (resid   26 and name HB*) (resid   26 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.281
assign (resid   26 and name HN) (resid   26 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.362
assign (resid   26 and name HA) (resid   26 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.717)
assign (resid   26 and name HB*) (resid   26 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   26 and name HD*) (resid   26 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   26 and name HB*) (resid   26 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   26 and name HN) (resid   26 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.509
assign (resid   26 and name HD*) (resid   26 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   26 and name HN) (resid   26 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   26 and name HN) (resid   26 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   26 and name HB*) (resid   26 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   26 and name HB*) (resid   26 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   26 and name HD*) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   26 and name HE*) (resid   26 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   26 and name HB*) (resid   26 and name HZ)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (99 viol avg 0.173)
assign (resid   26 and name HE*) (resid   26 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   26 and name HE*) (resid   26 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   26 and name HN) (resid   26 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   26 and name HN) (resid   26 and name HZ)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   26 and name HZ) (resid   26 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (99 viol avg 0.173)
assign (resid   26 and name HZ) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   26 and name HE*) (resid   26 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== Intraresidue contacts to residue 27 ============
! assign (resid   27 and name HE*) (resid   27 and name HE*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   27 and name HE*) (resid   27 and name HE*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   27 and name HA) (resid   27 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.066
assign (resid   27 and name HD*) (resid   27 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   27 and name HG*) (resid   27 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   27 and name HB*) (resid   27 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   27 and name HD*) (resid   27 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.374
assign (resid   27 and name HG*) (resid   27 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.386
assign (resid   27 and name HB*) (resid   27 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.399
assign (resid   27 and name HG*) (resid   27 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   27 and name HG*) (resid   27 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   27 and name HB*) (resid   27 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   27 and name HA) (resid   27 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   27 and name HB*) (resid   27 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.524
assign (resid   27 and name HD*) (resid   27 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   27 and name HG*) (resid   27 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   27 and name HG*) (resid   27 and name HZ*)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   27 and name HG*) (resid   27 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   27 and name HA) (resid   27 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.673
assign (resid   27 and name HN) (resid   27 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   27 and name HA) (resid   27 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   27 and name HD*) (resid   27 and name HZ*)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   27 and name HN) (resid   27 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   27 and name HB*) (resid   27 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   27 and name HA) (resid   27 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   27 and name HD*) (resid   27 and name HZ*)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   27 and name HB*) (resid   27 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   27 and name HE*) (resid   27 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   27 and name HA) (resid   27 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   27 and name HE*) (resid   27 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   27 and name HZ*) (resid   27 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   27 and name HN) (resid   27 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   27 and name HN) (resid   27 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   27 and name HE*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   27 and name HD*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   27 and name HZ*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   27 and name HD*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   27 and name HG*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   27 and name HE*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   27 and name HD*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   27 and name HG*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   27 and name HE*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   27 and name HE*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   27 and name HD*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   27 and name HZ*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   27 and name HE*) (resid   27 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   27 and name HN) (resid   27 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   27 and name HZ*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   27 and name HB*) (resid   27 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   27 and name HD*) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   27 and name HE*) (resid   27 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   27 and name HZ*) (resid   27 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   27 and name HB*) (resid   27 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   27 and name HZ*) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   27 and name HN) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   27 and name HB*) (resid   27 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HN) (resid   27 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HD*) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HE*) (resid   27 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HA) (resid   27 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   27 and name HZ*) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   27 and name HA) (resid   27 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   27 and name HB*) (resid   27 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   27 and name HB*) (resid   27 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   27 and name HZ*) (resid   27 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   27 and name HE*) (resid   27 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   27 and name HB*) (resid   27 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   27 and name HE*) (resid   27 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   27 and name HE*) (resid   27 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== Intraresidue contacts to residue 28 ============
assign (resid   28 and name HE*) (resid   28 and name HD*)  2.300 0.500 0.500 ! lengthened - calc dist 1.445
assign (resid   28 and name HD*) (resid   28 and name HE*)  2.300 0.500 0.500 ! lengthened - calc dist 1.489
assign (resid   28 and name HA) (resid   28 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.765
assign (resid   28 and name HD*) (resid   28 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.074
assign (resid   28 and name HB*) (resid   28 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.108
assign (resid   28 and name HA) (resid   28 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.134
assign (resid   28 and name HB*) (resid   28 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.134
assign (resid   28 and name HB*) (resid   28 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.152
assign (resid   28 and name HN) (resid   28 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.161
assign (resid   28 and name HA) (resid   28 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.199
assign (resid   28 and name HA) (resid   28 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (83 viol avg 1.066)
assign (resid   28 and name HB*) (resid   28 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   28 and name HB*) (resid   28 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   28 and name HD*) (resid   28 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   28 and name HN) (resid   28 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   28 and name HN) (resid   28 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   28 and name HD*) (resid   28 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   28 and name HB*) (resid   28 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   28 and name HB*) (resid   28 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   28 and name HB*) (resid   28 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   28 and name HD*) (resid   28 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   28 and name HA) (resid   28 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.858
! assign (resid   28 and name HB*) (resid   28 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
! assign (resid   28 and name HB*) (resid   28 and name HB*)  2.900 1.100 1.100 ! geminal protons with same pseudoatom name
assign (resid   28 and name HE*) (resid   28 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   28 and name HN) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   28 and name HN) (resid   28 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (44 viol avg 0.631)
assign (resid   28 and name HE*) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   28 and name HE*) (resid   28 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   28 and name HE*) (resid   28 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== Intraresidue contacts to residue 29 ============
assign (resid   29 and name HA) (resid   29 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.213
assign (resid   29 and name HD**) (resid   29 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.336
assign (resid   29 and name HD**) (resid   29 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.935
assign (resid   29 and name HN) (resid   29 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.005
assign (resid   29 and name HB*) (resid   29 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.386
assign (resid   29 and name HA) (resid   29 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   29 and name HB*) (resid   29 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   29 and name HA) (resid   29 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   29 and name HB*) (resid   29 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   29 and name HN) (resid   29 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   29 and name HB*) (resid   29 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   29 and name HA) (resid   29 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   29 and name HG) (resid   29 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (40 viol avg 0.401)
assign (resid   29 and name HN) (resid   29 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   29 and name HN) (resid   29 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   29 and name HN) (resid   29 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.267
 
! =========== Intraresidue contacts to residue 30 ============
! assign (resid   30 and name HE2*) (resid   30 and name HE2*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   30 and name HE2*) (resid   30 and name HE2*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   30 and name HB*) (resid   30 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   30 and name HB*) (resid   30 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   30 and name HA) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.915
assign (resid   30 and name HA) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.983
assign (resid   30 and name HB*) (resid   30 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.983
assign (resid   30 and name HN) (resid   30 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.152
assign (resid   30 and name HB*) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.189
assign (resid   30 and name HA) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   30 and name HA) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   30 and name HB*) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.219
assign (resid   30 and name HB*) (resid   30 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.219
assign (resid   30 and name HB*) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.219
assign (resid   30 and name HG*) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.239
assign (resid   30 and name HB*) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.281
assign (resid   30 and name HG*) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   30 and name HB*) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   30 and name HB*) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.338
assign (resid   30 and name HA) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.350
assign (resid   30 and name HG*) (resid   30 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   30 and name HN) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   30 and name HN) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   30 and name HG*) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   30 and name HG*) (resid   30 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   30 and name HG*) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   30 and name HG*) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   30 and name HN) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   30 and name HG*) (resid   30 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   30 and name HN) (resid   30 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   30 and name HG*) (resid   30 and name HE2*)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   30 and name HG*) (resid   30 and name HE2*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   30 and name HE2*) (resid   30 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   30 and name HE2*) (resid   30 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   30 and name HG*) (resid   30 and name HE2*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   30 and name HG*) (resid   30 and name HE2*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   30 and name HE2*) (resid   30 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   30 and name HE2*) (resid   30 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   30 and name HA) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   30 and name HA) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   30 and name HE2*) (resid   30 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   30 and name HB*) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   30 and name HN) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   30 and name HB*) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   30 and name HE2*) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   30 and name HE2*) (resid   30 and name HA)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   30 and name HE2*) (resid   30 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   30 and name HB*) (resid   30 and name HE2*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   30 and name HN) (resid   30 and name HE2*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   30 and name HE2*) (resid   30 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== Intraresidue contacts to residue 31 ============
assign (resid   31 and name HG*) (resid   31 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.402
assign (resid   31 and name HD*) (resid   31 and name HG*)  2.300 0.500 0.500 ! no changes - calc dist 2.523
assign (resid   31 and name HD*) (resid   31 and name HG*)  2.300 0.500 0.500 ! no changes - calc dist 2.602
assign (resid   31 and name HG*) (resid   31 and name HD*)  2.300 0.500 0.500 ! no changes - calc dist 2.631
assign (resid   31 and name HA) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.928
assign (resid   31 and name HA) (resid   31 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.125
assign (resid   31 and name HB*) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.125
assign (resid   31 and name HB*) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.229
assign (resid   31 and name HA) (resid   31 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   31 and name HN) (resid   31 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   31 and name HB*) (resid   31 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   31 and name HN) (resid   31 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.494
assign (resid   31 and name HN) (resid   31 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   31 and name HB*) (resid   31 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   31 and name HA) (resid   31 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   31 and name HD*) (resid   31 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   31 and name HG*) (resid   31 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   31 and name HA) (resid   31 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   31 and name HA) (resid   31 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   31 and name HG*) (resid   31 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   31 and name HB*) (resid   31 and name HZ*)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   31 and name HG*) (resid   31 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   31 and name HG*) (resid   31 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   31 and name HD*) (resid   31 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   31 and name HN) (resid   31 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   31 and name HE*) (resid   31 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   31 and name HG*) (resid   31 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   31 and name HN) (resid   31 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   31 and name HE*) (resid   31 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   31 and name HG*) (resid   31 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   31 and name HD*) (resid   31 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   31 and name HZ*) (resid   31 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   31 and name HB*) (resid   31 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   31 and name HB*) (resid   31 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   31 and name HN) (resid   31 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   31 and name HE*) (resid   31 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   31 and name HZ*) (resid   31 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   31 and name HE*) (resid   31 and name HZ*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   31 and name HB*) (resid   31 and name HZ*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   31 and name HE*) (resid   31 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   31 and name HZ*) (resid   31 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   31 and name HZ*) (resid   31 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   31 and name HG*) (resid   31 and name HZ*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   31 and name HZ*) (resid   31 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== Intraresidue contacts to residue 32 ============
! assign (resid   32 and name HB*) (resid   32 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
! assign (resid   32 and name HB*) (resid   32 and name HB*)  2.300 0.500 0.500 ! geminal protons with same pseudoatom name
assign (resid   32 and name HB*) (resid   32 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.035
assign (resid   32 and name HA) (resid   32 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.116
assign (resid   32 and name HG*) (resid   32 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.170
assign (resid   32 and name HA) (resid   32 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.338
assign (resid   32 and name HB*) (resid   32 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   32 and name HB*) (resid   32 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.438
assign (resid   32 and name HN) (resid   32 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   32 and name HB*) (resid   32 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   32 and name HG*) (resid   32 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   32 and name HN) (resid   32 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   32 and name HN) (resid   32 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   32 and name HN) (resid   32 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   32 and name HA) (resid   32 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   32 and name HG*) (resid   32 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   32 and name HE*) (resid   32 and name HZ*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   32 and name HE*) (resid   32 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   32 and name HZ*) (resid   32 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   32 and name HE*) (resid   32 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.546
 
! --------------------------------------------------------------------------
! i +/- 1 contacts
 
! =========== i+1 contacts to residue 1 ============
 
! =========== i+1 contacts to residue 2 ============
assign (resid   2 and name HA) (resid   3 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.673
! assign (resid   2 and name HA) (resid   3 and name HD2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   2 and name HB*) (resid   3 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   2 and name HA) (resid   3 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   3 and name HN) (resid   2 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   3 and name HN) (resid   2 and name HD*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 3 ============
assign (resid   3 and name HA) (resid   4 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   4 and name HA) (resid   3 and name HE1)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (41 viol avg 0.256)
assign (resid   3 and name HE1) (resid   4 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   3 and name HA) (resid   4 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   3 and name HB*) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   3 and name HD2) (resid   4 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   4 and name HN) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   3 and name HB*) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   4 and name HN) (resid   3 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   4 and name HN) (resid   3 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   4 and name HN) (resid   3 and name HD2)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   4 and name HN) (resid   3 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   3 and name HE1) (resid   4 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   3 and name HB*) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   4 and name HG2*) (resid   3 and name HD2)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   3 and name HB*) (resid   4 and name HG2*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   3 and name HD2) (resid   4 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   4 and name HA) (resid   3 and name HD2)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   4 and name HG2*) (resid   3 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   3 and name HN) (resid   4 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   4 and name HN) (resid   3 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 4 ============
assign (resid   4 and name HA) (resid   5 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   5 and name HN) (resid   4 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   4 and name HA) (resid   5 and name HD1*)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (54 viol avg 0.862)
assign (resid   4 and name HG2*) (resid   5 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   4 and name HA) (resid   5 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.067
! assign (resid   4 and name HA) (resid   5 and name HB)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
assign (resid   5 and name HN) (resid   4 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   4 and name HA) (resid   5 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   4 and name HA) (resid   5 and name HG1*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   4 and name HN) (resid   5 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 5 ============
assign (resid   6 and name HN) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.091
! assign (resid   5 and name HD1*) (resid   6 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   5 and name HD1*) (resid   6 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.362
assign (resid   6 and name HA) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   6 and name HN) (resid   5 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.129
! assign (resid   5 and name HD1*) (resid   6 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid   5 and name HA) (resid   6 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   5 and name HB) (resid   6 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   5 and name HN) (resid   6 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   6 and name HN) (resid   5 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   6 and name HE3) (resid   5 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   5 and name HD1*) (resid   6 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.432
! assign (resid   6 and name HE1) (resid   5 and name HD1*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid   6 and name HN) (resid   5 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   6 and name HB*) (resid   5 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   6 and name HB*) (resid   5 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
! assign (resid   5 and name HG2*) (resid   6 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   6 and name HA) (resid   5 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   5 and name HD1*) (resid   6 and name HZ2)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   5 and name HG2*) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   6 and name HA) (resid   5 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   6 and name HE3) (resid   5 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   5 and name HD1*) (resid   6 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   6 and name HA) (resid   5 and name HG1*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   6 and name HZ2) (resid   5 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   5 and name HG1*) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   5 and name HD1*) (resid   6 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   5 and name HG2*) (resid   6 and name HE3)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   6 and name HA) (resid   5 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HH2) (resid   5 and name HD1*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   5 and name HD1*) (resid   6 and name HH2)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   6 and name HZ3) (resid   5 and name HD1*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   5 and name HD1*) (resid   6 and name HZ3)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   6 and name HE3) (resid   5 and name HG2*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 6 ============
assign (resid   6 and name HN) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   7 and name HN) (resid   6 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
! assign (resid   7 and name HA) (resid   6 and name HE3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   6 and name HB*) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   6 and name HB*) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   6 and name HA) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
! assign (resid   6 and name HE3) (resid   7 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   7 and name HN) (resid   6 and name HE3)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   6 and name HN) (resid   7 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   7 and name HN) (resid   6 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   7 and name HN) (resid   6 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   6 and name HE3) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   7 and name HG*) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
! assign (resid   7 and name HA) (resid   6 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   7 and name HG*) (resid   6 and name HD1)  3.900 2.100 2.100 ! shortened - calc dist 6.241
 
! =========== i+1 contacts to residue 7 ============
assign (resid   7 and name HA) (resid   8 and name HG**)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (88 viol avg 0.284)
assign (resid   8 and name HA) (resid   7 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (77 viol avg 0.679)
assign (resid   8 and name HN) (resid   7 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   8 and name HN) (resid   7 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   7 and name HN) (resid   8 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   7 and name HN) (resid   8 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   7 and name HA) (resid   8 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   7 and name HB*) (resid   8 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   7 and name HB*) (resid   8 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   8 and name HG**) (resid   7 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   8 and name HN) (resid   7 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   7 and name HG*) (resid   8 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   8 and name HG**) (resid   7 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   7 and name HN) (resid   8 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   7 and name HN) (resid   8 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (43 viol avg 0.223)
assign (resid   7 and name HG*) (resid   8 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   8 and name HA) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   8 and name HG**) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   8 and name HG**) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   8 and name HN) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   7 and name HB*) (resid   8 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   7 and name HG*) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   8 and name HG**) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   8 and name HN) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   7 and name HG*) (resid   8 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   7 and name HG*) (resid   8 and name HG**)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   8 and name HA) (resid   7 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 8 ============
assign (resid   8 and name HB) (resid   9 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   8 and name HN) (resid   9 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   9 and name HN) (resid   8 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   8 and name HB) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   9 and name HB) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   9 and name HD1*) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   9 and name HD1*) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   8 and name HB) (resid   9 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   8 and name HN) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+1 contacts to residue 9 ============
assign (resid   10 and name HN) (resid   9 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   9 and name HG1*) (resid   10 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   9 and name HG2*) (resid   10 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   9 and name HA) (resid   10 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.674)
assign (resid   10 and name HB*) (resid   9 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   10 and name HB*) (resid   9 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 0.674)
assign (resid   10 and name HA) (resid   9 and name HG2*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (89 viol avg 0.236)
assign (resid   9 and name HB) (resid   10 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   9 and name HG2*) (resid   10 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   10 and name HN) (resid   9 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   10 and name HN) (resid   9 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   9 and name HD1*) (resid   10 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   9 and name HD1*) (resid   10 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   10 and name HB*) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   10 and name HA) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   9 and name HD1*) (resid   10 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+1 contacts to residue 10 ============
 
! =========== 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 3.711
assign (resid   12 and name HN) (resid   11 and name HA*)  2.900 1.100 1.100 ! no changes - calc dist 3.956
 
! =========== i+1 contacts to residue 12 ============
assign (resid   13 and name HG**) (resid   12 and name HD**)  2.300 0.500 0.500 ! no changes - calc dist 2.459
assign (resid   12 and name HD**) (resid   13 and name HG**)  2.300 0.500 0.500 ! no changes - calc dist 2.639
assign (resid   13 and name HN) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   12 and name HB*) (resid   13 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.673
assign (resid   12 and name HN) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   13 and name HG**) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   12 and name HB*) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   13 and name HN) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   12 and name HB*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   12 and name HA) (resid   13 and name HG**)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   13 and name HN) (resid   12 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   13 and name HG**) (resid   12 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   13 and name HA) (resid   12 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   12 and name HN) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   13 and name HA) (resid   12 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   12 and name HB*) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   13 and name HN) (resid   12 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   13 and name HB) (resid   12 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   13 and name HA) (resid   12 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   12 and name HN) (resid   13 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   12 and name HG) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   12 and name HA) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   12 and name HB*) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   13 and name HA) (resid   12 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   12 and name HG) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   13 and name HA) (resid   12 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   13 and name HB) (resid   12 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   12 and name HB*) (resid   13 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   13 and name HB) (resid   12 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== i+1 contacts to residue 13 ============
assign (resid   13 and name HN) (resid   14 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.990
assign (resid   14 and name HB*) (resid   13 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.170
assign (resid   14 and name HN) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.180
assign (resid   13 and name HG**) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.281
assign (resid   13 and name HN) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.399
assign (resid   13 and name HB) (resid   14 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   14 and name HB*) (resid   13 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (95 viol avg 0.735)
assign (resid   14 and name HB*) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   13 and name HB) (resid   14 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   13 and name HN) (resid   14 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   13 and name HA) (resid   14 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   14 and name HA) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   14 and name HA) (resid   13 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.055
 
! =========== i+1 contacts to residue 14 ============
assign (resid   15 and name HN) (resid   14 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.928
assign (resid   14 and name HB*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.050
assign (resid   15 and name HN) (resid   14 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   14 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.813
 
! =========== i+1 contacts to residue 15 ============
assign (resid   15 and name HG) (resid   16 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (66 viol avg 0.289)
assign (resid   16 and name HN) (resid   15 and name HG)  2.900 1.100 1.100 ! no changes - calc dist 3.229
assign (resid   15 and name HN) (resid   16 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (41 viol avg 0.235)
 
! =========== i+1 contacts to residue 16 ============
assign (resid   16 and name HA) (resid   17 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (60 viol avg 0.427)
assign (resid   17 and name HG2*) (resid   16 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (60 viol avg 0.427)
assign (resid   16 and name HA) (resid   17 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (99 viol avg 0.251)
assign (resid   17 and name HB) (resid   16 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (93 viol avg 0.150)
assign (resid   17 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.292
assign (resid   16 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.315
assign (resid   17 and name HA) (resid   16 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (99 viol avg 0.251)
assign (resid   17 and name HB) (resid   16 and name HG)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (79 viol avg 0.224)
assign (resid   16 and name HA) (resid   17 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (93 viol avg 0.150)
assign (resid   17 and name HN) (resid   16 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   17 and name HG2*) (resid   16 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (80 viol avg 0.161)
assign (resid   16 and name HB*) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   17 and name HN) (resid   16 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   16 and name HD**) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   16 and name HD**) (resid   17 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (95 viol avg 0.293)
assign (resid   16 and name HG) (resid   17 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (79 viol avg 0.224)
assign (resid   17 and name HA) (resid   16 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (95 viol avg 0.293)
assign (resid   17 and name HB) (resid   16 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (76 viol avg 0.125)
assign (resid   17 and name HB) (resid   16 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
 
! =========== i+1 contacts to residue 17 ============
assign (resid   18 and name HB*) (resid   17 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   17 and name HB) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   17 and name HN) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   17 and name HG2*) (resid   18 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   17 and name HG2*) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   18 and name HN) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   18 and name HN) (resid   17 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   18 and name HA) (resid   17 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   18 and name HD*) (resid   17 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   17 and name HA) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   18 and name HB*) (resid   17 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (80 viol avg 0.109)
assign (resid   17 and name HB) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   18 and name HB*) (resid   17 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (80 viol avg 0.109)
assign (resid   17 and name HA) (resid   18 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (80 viol avg 0.109)
assign (resid   17 and name HB) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   17 and name HA) (resid   18 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (80 viol avg 0.109)
assign (resid   17 and name HN) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   18 and name HA) (resid   17 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   18 and name HB*) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   18 and name HN) (resid   17 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   17 and name HN) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   18 and name HB*) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   18 and name HA) (resid   17 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   17 and name HG2*) (resid   18 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   18 and name HA) (resid   17 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   17 and name HG2*) (resid   18 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   18 and name HE*) (resid   17 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   17 and name HN) (resid   18 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   18 and name HD*) (resid   17 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 18 ============
assign (resid   19 and name HN) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.116
assign (resid   18 and name HB*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.180
assign (resid   19 and name HD**) (resid   18 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.199
assign (resid   18 and name HB*) (resid   19 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.315
assign (resid   19 and name HN) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   18 and name HB*) (resid   19 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   18 and name HE*) (resid   19 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   19 and name HD**) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.509
assign (resid   18 and name HB*) (resid   19 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.524
assign (resid   19 and name HD**) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.524
assign (resid   19 and name HD**) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   18 and name HA) (resid   19 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   19 and name HB*) (resid   18 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   19 and name HA) (resid   18 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   19 and name HB*) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   19 and name HD**) (resid   18 and name HZ)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (66 viol avg 0.161)
assign (resid   19 and name HB*) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   19 and name HB*) (resid   18 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   18 and name HB*) (resid   19 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   18 and name HB*) (resid   19 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   19 and name HD**) (resid   18 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   18 and name HN) (resid   19 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   18 and name HD*) (resid   19 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   19 and name HB*) (resid   18 and name HA)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 19 ============
assign (resid   19 and name HA) (resid   20 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (56 viol avg 0.253)
assign (resid   19 and name HA) (resid   20 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (95 viol avg 0.250)
assign (resid   20 and name HA) (resid   19 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (95 viol avg 0.250)
assign (resid   19 and name HB*) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   20 and name HB*) (resid   19 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
 
! =========== i+1 contacts to residue 20 ============
assign (resid   21 and name HN) (resid   20 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.219
assign (resid   20 and name HB*) (resid   21 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.281
assign (resid   21 and name HB*) (resid   20 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.438
assign (resid   20 and name HB*) (resid   21 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
assign (resid   20 and name HB*) (resid   21 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (57 viol avg 0.903)
assign (resid   20 and name HA) (resid   21 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (57 viol avg 0.233)
assign (resid   21 and name HE*) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   21 and name HA) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   20 and name HA) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   21 and name HN) (resid   20 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   21 and name HA) (resid   20 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
 
! =========== i+1 contacts to residue 21 ============
assign (resid   21 and name HB*) (resid   22 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.399
assign (resid   22 and name HN) (resid   21 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.466
assign (resid   21 and name HN) (resid   22 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   22 and name HN) (resid   21 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   21 and name HB*) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   21 and name HA) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   22 and name HN) (resid   21 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
! assign (resid   22 and name HN) (resid   21 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 14
assign (resid   22 and name HA*) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   21 and name HD*) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   21 and name HN) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   21 and name HD*) (resid   22 and name HA*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (78 viol avg 0.160)
! assign (resid   22 and name HA*) (resid   21 and name HZ)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
 
! =========== i+1 contacts to residue 22 ============
assign (resid   22 and name HA*) (resid   23 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   22 and name HN) (resid   23 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   23 and name HN) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   23 and name HN) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   23 and name HB*) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   22 and name HA*) (resid   23 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   23 and name HB*) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   22 and name HN) (resid   23 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
 
! =========== i+1 contacts to residue 23 ============
! assign (resid   24 and name HZ3) (resid   23 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   23 and name HB*) (resid   24 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.730
! assign (resid   23 and name HD*) (resid   24 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   23 and name HN) (resid   24 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   24 and name HN) (resid   23 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   23 and name HA) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   24 and name HA) (resid   23 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (54 viol avg 0.155)
assign (resid   23 and name HN) (resid   24 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (54 viol avg 0.155)
assign (resid   24 and name HB*) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   23 and name HN) (resid   24 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
! assign (resid   23 and name HE*) (resid   24 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   24 and name HN) (resid   23 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
! assign (resid   24 and name HE1) (resid   23 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
 
! =========== i+1 contacts to residue 24 ============
assign (resid   25 and name HD**) (resid   24 and name HZ3)  2.900 1.100 1.100 ! no changes - calc dist 3.170
assign (resid   24 and name HZ3) (resid   25 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   25 and name HB*) (resid   24 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (63 viol avg 0.176)
assign (resid   25 and name HD**) (resid   24 and name HH2)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   25 and name HN) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   24 and name HB*) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   24 and name HA) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   24 and name HB*) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   25 and name HN) (resid   24 and name HD1)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   24 and name HN) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   24 and name HH2) (resid   25 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   25 and name HN) (resid   24 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   24 and name HE3) (resid   25 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   25 and name HN) (resid   24 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   25 and name HB*) (resid   24 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   24 and name HA) (resid   25 and name HG)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (50 viol avg 0.801)
assign (resid   25 and name HN) (resid   24 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   25 and name HG) (resid   24 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (50 viol avg 0.801)
assign (resid   25 and name HA) (resid   24 and name HZ3)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   24 and name HD1) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   24 and name HZ3) (resid   25 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   24 and name HE3) (resid   25 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   25 and name HB*) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.055
! assign (resid   25 and name HA) (resid   24 and name HH2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   25 and name HN) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   25 and name HG) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   25 and name HB*) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   24 and name HZ3) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   24 and name HZ3) (resid   25 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   24 and name HZ3) (resid   25 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   25 and name HD**) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
 
! =========== i+1 contacts to residue 25 ============
assign (resid   25 and name HD**) (resid   26 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (47 viol avg 0.143)
assign (resid   26 and name HN) (resid   25 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   25 and name HD**) (resid   26 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   25 and name HB*) (resid   26 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   26 and name HN) (resid   25 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   25 and name HB*) (resid   26 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   26 and name HE*) (resid   25 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   25 and name HB*) (resid   26 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   26 and name HN) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
! assign (resid   26 and name HA) (resid   25 and name HG)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   25 and name HN) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   26 and name HN) (resid   25 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   25 and name HA) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.388
! assign (resid   25 and name HG) (resid   26 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   26 and name HB*) (resid   25 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   26 and name HB*) (resid   25 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (46 viol avg 0.259)
assign (resid   25 and name HD**) (resid   26 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (46 viol avg 0.259)
assign (resid   26 and name HN) (resid   25 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   25 and name HG) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   25 and name HA) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   25 and name HG) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   25 and name HG) (resid   26 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   25 and name HN) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   26 and name HB*) (resid   25 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   26 and name HD*) (resid   25 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   26 and name HB*) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   26 and name HE*) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   26 and name HE*) (resid   25 and name HG)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   25 and name HN) (resid   26 and name HD*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   25 and name HN) (resid   26 and name HE*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 26 ============
assign (resid   27 and name HG*) (resid   26 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.296)
assign (resid   27 and name HN) (resid   26 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   27 and name HA) (resid   26 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (70 viol avg 0.496)
assign (resid   27 and name HN) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   26 and name HN) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   26 and name HB*) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   26 and name HD*) (resid   27 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   26 and name HB*) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
! assign (resid   26 and name HZ) (resid   27 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   27 and name HD*) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   27 and name HN) (resid   26 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   26 and name HD*) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   27 and name HN) (resid   26 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   26 and name HD*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   26 and name HD*) (resid   27 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (70 viol avg 0.496)
assign (resid   26 and name HD*) (resid   27 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   26 and name HB*) (resid   27 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HD*) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HD*) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   26 and name HB*) (resid   27 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HG*) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HG*) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HG*) (resid   26 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HA) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   26 and name HB*) (resid   27 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   26 and name HD*) (resid   27 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   26 and name HB*) (resid   27 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   27 and name HE*) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   26 and name HB*) (resid   27 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   26 and name HN) (resid   27 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
! assign (resid   26 and name HE*) (resid   27 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   27 and name HB*) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   27 and name HE*) (resid   26 and name HD*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   26 and name HD*) (resid   27 and name HE*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 27 ============
assign (resid   28 and name HN) (resid   27 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   28 and name HN) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   27 and name HN) (resid   28 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   27 and name HB*) (resid   28 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   27 and name HB*) (resid   28 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   27 and name HG*) (resid   28 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   28 and name HN) (resid   27 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   27 and name HB*) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   28 and name HB*) (resid   27 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   27 and name HG*) (resid   28 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   27 and name HN) (resid   28 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   28 and name HA) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   28 and name HB*) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   28 and name HB*) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
! assign (resid   27 and name HN) (resid   28 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
! assign (resid   27 and name HG*) (resid   28 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   27 and name HN) (resid   28 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
! assign (resid   28 and name HD*) (resid   27 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   28 and name HN) (resid   27 and name HZ*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 28 ============
assign (resid   29 and name HN) (resid   28 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   28 and name HN) (resid   29 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   29 and name HN) (resid   28 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   29 and name HN) (resid   28 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   28 and name HD*) (resid   29 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   28 and name HB*) (resid   29 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   28 and name HB*) (resid   29 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   29 and name HN) (resid   28 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   29 and name HG) (resid   28 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   29 and name HN) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   29 and name HN) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   29 and name HB*) (resid   28 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   29 and name HG) (resid   28 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   28 and name HE*) (resid   29 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   28 and name HD*) (resid   29 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.489
 
! =========== i+1 contacts to residue 29 ============
assign (resid   30 and name HN) (resid   29 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.539
assign (resid   29 and name HN) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.587
assign (resid   29 and name HD**) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   29 and name HA) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   29 and name HB*) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   30 and name HN) (resid   29 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   30 and name HN) (resid   29 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   29 and name HG) (resid   30 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   30 and name HN) (resid   29 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   30 and name HN) (resid   29 and name HG)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   29 and name HN) (resid   30 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   29 and name HN) (resid   30 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   30 and name HG*) (resid   29 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 30 ============
assign (resid   30 and name HA) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 2.842
assign (resid   31 and name HN) (resid   30 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.035
assign (resid   30 and name HN) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.161
assign (resid   31 and name HN) (resid   30 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.239
assign (resid   30 and name HE2*) (resid   31 and name HZ*)  2.900 1.100 1.100 ! no changes - calc dist 3.303
assign (resid   30 and name HB*) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   31 and name HN) (resid   30 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   31 and name HA) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   30 and name HN) (resid   31 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   31 and name HA) (resid   30 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   31 and name HD*) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   31 and name HG*) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   31 and name HA) (resid   30 and name HG*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+1 contacts to residue 31 ============
assign (resid   31 and name HA) (resid   32 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (41 viol avg 0.362)
assign (resid   32 and name HN) (resid   31 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 2.824
assign (resid   31 and name HN) (resid   32 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   32 and name HN) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   31 and name HB*) (resid   32 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   32 and name HN) (resid   31 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   32 and name HA) (resid   31 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   31 and name HG*) (resid   32 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   32 and name HN) (resid   31 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   31 and name HN) (resid   32 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== i+1 contacts to residue 32 ============
 
! --------------------------------------------------------------------------
! i +/- 2 contacts
 
! =========== i+2 contacts to residue 1 ============
 
! =========== i+2 contacts to residue 2 ============
assign (resid   2 and name HE*) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== i+2 contacts to residue 3 ============
assign (resid   5 and name HN) (resid   3 and name HE1)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (50 viol avg 0.346)
! assign (resid   3 and name HE1) (resid   5 and name HG2*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
 
! =========== i+2 contacts to residue 4 ============
assign (resid   4 and name HA) (resid   6 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (41 viol avg 0.821)
assign (resid   4 and name HG2*) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   6 and name HA) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   6 and name HB*) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
! assign (resid   4 and name HA) (resid   6 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   4 and name HA) (resid   6 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
! assign (resid   4 and name HA) (resid   6 and name HE3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   6 and name HE1) (resid   4 and name HG2*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   4 and name HA) (resid   6 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.241
 
! =========== i+2 contacts to residue 5 ============
assign (resid   7 and name HN) (resid   5 and name HD1*)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (70 viol avg 0.599)
assign (resid   5 and name HD1*) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   5 and name HB) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   7 and name HN) (resid   5 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   5 and name HN) (resid   7 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+2 contacts to residue 6 ============
assign (resid   8 and name HN) (resid   6 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   6 and name HA) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   8 and name HB) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HB*) (resid   8 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   6 and name HB*) (resid   8 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.241
 
! =========== i+2 contacts to residue 7 ============
assign (resid   9 and name HN) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   7 and name HN) (resid   9 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
! assign (resid   9 and name HB) (resid   7 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
 
! =========== i+2 contacts to residue 8 ============
assign (resid   8 and name HB) (resid   10 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (100 viol avg 0.808)
assign (resid   10 and name HB*) (resid   8 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (100 viol avg 0.808)
assign (resid   8 and name HB) (resid   10 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   8 and name HN) (resid   10 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   10 and name HN) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   10 and name HN) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
 
! =========== i+2 contacts to residue 9 ============
 
! =========== i+2 contacts to residue 10 ============
 
! =========== i+2 contacts to residue 11 ============
assign (resid   13 and name HN) (resid   11 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   13 and name HN) (resid   11 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   11 and name HN) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.755
 
! =========== i+2 contacts to residue 12 ============
assign (resid   14 and name HN) (resid   12 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.792
 
! =========== i+2 contacts to residue 13 ============
assign (resid   15 and name HN) (resid   13 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (68 viol avg 0.697)
assign (resid   15 and name HD**) (resid   13 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (95 viol avg 0.454)
assign (resid   13 and name HN) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   15 and name HN) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   13 and name HA) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   15 and name HB*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   13 and name HB) (resid   15 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   13 and name HN) (resid   15 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
 
! =========== i+2 contacts to residue 14 ============
 
! =========== i+2 contacts to residue 15 ============
assign (resid   15 and name HN) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   17 and name HN) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   17 and name HN) (resid   15 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   15 and name HD**) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
! assign (resid   15 and name HD**) (resid   17 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   15 and name HA) (resid   17 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   17 and name HN) (resid   15 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   15 and name HG) (resid   17 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   17 and name HB) (resid   15 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
! assign (resid   17 and name HB) (resid   15 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   17 and name HN) (resid   15 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.489
! assign (resid   17 and name HB) (resid   15 and name HD**)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
 
! =========== i+2 contacts to residue 16 ============
! assign (resid   18 and name HA) (resid   16 and name HD**)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
 
! =========== i+2 contacts to residue 17 ============
 
! =========== i+2 contacts to residue 18 ============
 
! =========== i+2 contacts to residue 19 ============
assign (resid   21 and name HN) (resid   19 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   19 and name HD**) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   19 and name HA) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   21 and name HN) (resid   19 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   19 and name HB*) (resid   21 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+2 contacts to residue 20 ============
assign (resid   20 and name HN) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   22 and name HN) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   20 and name HA) (resid   22 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   22 and name HN) (resid   20 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+2 contacts to residue 21 ============
assign (resid   21 and name HN) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   23 and name HN) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   21 and name HN) (resid   23 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   23 and name HB*) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   21 and name HA) (resid   23 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== i+2 contacts to residue 22 ============
assign (resid   24 and name HN) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   22 and name HN) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   24 and name HE3) (resid   22 and name HA*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
 
! =========== i+2 contacts to residue 23 ============
assign (resid   25 and name HN) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   23 and name HA) (resid   25 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   23 and name HN) (resid   25 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   25 and name HB*) (resid   23 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+2 contacts to residue 24 ============
! assign (resid   24 and name HN) (resid   26 and name HZ)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   26 and name HN) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   24 and name HN) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   26 and name HB*) (resid   24 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   26 and name HN) (resid   24 and name HE3)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   24 and name HE3) (resid   26 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+2 contacts to residue 25 ============
assign (resid   25 and name HN) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   27 and name HN) (resid   25 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+2 contacts to residue 26 ============
assign (resid   26 and name HN) (resid   28 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   28 and name HN) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   28 and name HN) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   26 and name HD*) (resid   28 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   26 and name HB*) (resid   28 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+2 contacts to residue 27 ============
! assign (resid   27 and name HA) (resid   29 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
assign (resid   29 and name HN) (resid   27 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   29 and name HN) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   27 and name HN) (resid   29 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   27 and name HA) (resid   29 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
 
! =========== i+2 contacts to residue 28 ============
assign (resid   30 and name HN) (resid   28 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   28 and name HD*) (resid   30 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   30 and name HN) (resid   28 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   30 and name HN) (resid   28 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   28 and name HN) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   30 and name HB*) (resid   28 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   28 and name HB*) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   28 and name HB*) (resid   30 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
! assign (resid   30 and name HN) (resid   28 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   28 and name HB*) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+2 contacts to residue 29 ============
assign (resid   29 and name HA) (resid   31 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   31 and name HD*) (resid   29 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (47 viol avg 0.431)
assign (resid   31 and name HB*) (resid   29 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   29 and name HN) (resid   31 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   31 and name HN) (resid   29 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
! assign (resid   29 and name HD**) (resid   31 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
! assign (resid   31 and name HE*) (resid   29 and name HD**)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
 
! =========== i+2 contacts to residue 30 ============
assign (resid   30 and name HA) (resid   32 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   32 and name HN) (resid   30 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   32 and name HN) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   30 and name HN) (resid   32 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   30 and name HB*) (resid   32 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   30 and name HB*) (resid   32 and name HE*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+2 contacts to residue 31 ============
 
! =========== i+2 contacts to residue 32 ============
 
! --------------------------------------------------------------------------
! i +/- 3 contacts
 
! =========== i+3 contacts to residue 1 ============
 
! =========== i+3 contacts to residue 2 ============
 
! =========== i+3 contacts to residue 3 ============
! assign (resid   3 and name HD2) (resid   6 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 11
assign (resid   6 and name HE3) (resid   3 and name HD2)  3.900 2.100 2.100 ! no changes - calc dist 5.147
 
! =========== i+3 contacts to residue 4 ============
assign (resid   7 and name HB*) (resid   4 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   7 and name HN) (resid   4 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   7 and name HB*) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   7 and name HG*) (resid   4 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
! assign (resid   4 and name HA) (resid   7 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 11
assign (resid   4 and name HG2*) (resid   7 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   4 and name HG2*) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   7 and name HG*) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   7 and name HG*) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   7 and name HG*) (resid   4 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   7 and name HN) (resid   4 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== i+3 contacts to residue 5 ============
assign (resid   8 and name HB) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.249
assign (resid   5 and name HB) (resid   8 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   5 and name HA) (resid   8 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   8 and name HN) (resid   5 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   8 and name HB) (resid   5 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   5 and name HG2*) (resid   8 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   8 and name HB) (resid   5 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   8 and name HB) (resid   5 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   5 and name HG2*) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   5 and name HB) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   5 and name HG1*) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   8 and name HN) (resid   5 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   5 and name HD1*) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   8 and name HB) (resid   5 and name HG1*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   8 and name HN) (resid   5 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   5 and name HG1*) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   5 and name HD1*) (resid   8 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   8 and name HB) (resid   5 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   5 and name HN) (resid   8 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+3 contacts to residue 6 ============
assign (resid   6 and name HA) (resid   9 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.555
assign (resid   9 and name HG2*) (resid   6 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   9 and name HD1*) (resid   6 and name HE3)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   6 and name HA) (resid   9 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.655
assign (resid   6 and name HE3) (resid   9 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   6 and name HE3) (resid   9 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   9 and name HB) (resid   6 and name HE3)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (85 viol avg 0.769)
assign (resid   9 and name HG2*) (resid   6 and name HZ3)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   6 and name HA) (resid   9 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (98 viol avg 0.155)
assign (resid   9 and name HD1*) (resid   6 and name HZ3)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   6 and name HZ3) (resid   9 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   6 and name HA) (resid   9 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   6 and name HA) (resid   9 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (50 viol avg 0.244)
assign (resid   6 and name HZ3) (resid   9 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   9 and name HD1*) (resid   6 and name HD1)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (67 viol avg 0.488)
assign (resid   6 and name HN) (resid   9 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   9 and name HN) (resid   6 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   6 and name HE3) (resid   9 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (85 viol avg 0.769)
assign (resid   9 and name HD1*) (resid   6 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
! assign (resid   6 and name HN) (resid   9 and name HG1*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   6 and name HE3) (resid   9 and name HG1*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   9 and name HG2*) (resid   6 and name HD1)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   6 and name HE3) (resid   9 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   6 and name HB*) (resid   9 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   6 and name HN) (resid   9 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   9 and name HG2*) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   9 and name HN) (resid   6 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
! assign (resid   9 and name HB) (resid   6 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
! assign (resid   6 and name HB*) (resid   9 and name HG1*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   6 and name HD1) (resid   9 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   6 and name HB*) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   9 and name HD1*) (resid   6 and name HH2)  3.900 2.100 2.100 ! no changes - calc dist 5.489
! assign (resid   9 and name HG1*) (resid   6 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   9 and name HG2*) (resid   6 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
! assign (resid   9 and name HB) (resid   6 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   9 and name HD1*) (resid   6 and name HZ2)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   6 and name HB*) (resid   9 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   9 and name HD1*) (resid   6 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HB*) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HH2) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HZ2) (resid   9 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
! assign (resid   9 and name HG1*) (resid   6 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
! assign (resid   6 and name HB*) (resid   9 and name HB)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   9 and name HD1*) (resid   6 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 261.579
assign (resid   9 and name HD1*) (resid   6 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.241
assign (resid   6 and name HA) (resid   9 and name HG1*)  3.900 2.100 2.100 ! shortened - calc dist 7.570
 
! =========== i+3 contacts to residue 7 ============
assign (resid   7 and name HB*) (resid   10 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   10 and name HB*) (resid   7 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   7 and name HN) (resid   10 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   10 and name HB*) (resid   7 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   7 and name HG*) (resid   10 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   7 and name HG*) (resid   10 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   10 and name HB*) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   7 and name HN) (resid   10 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   10 and name HB*) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   10 and name HN) (resid   7 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.241
 
! =========== i+3 contacts to residue 8 ============
 
! =========== i+3 contacts to residue 9 ============
assign (resid   12 and name HB*) (resid   9 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (86 viol avg 0.647)
assign (resid   12 and name HB*) (resid   9 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
 
! =========== i+3 contacts to residue 10 ============
assign (resid   13 and name HG**) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.199
assign (resid   13 and name HB) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.425
assign (resid   13 and name HN) (resid   10 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   10 and name HA) (resid   13 and name HB)  2.900 1.100 1.100 ! no changes - calc dist 3.620
assign (resid   10 and name HB*) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   13 and name HN) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   10 and name HA) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   13 and name HB) (resid   10 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.010
! assign (resid   13 and name HA) (resid   10 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   13 and name HA) (resid   10 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   10 and name HB*) (resid   13 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   10 and name HA) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.634
 
! =========== i+3 contacts to residue 11 ============
assign (resid   11 and name HN) (resid   14 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   14 and name HN) (resid   11 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   11 and name HA*) (resid   14 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   14 and name HN) (resid   11 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
 
! =========== i+3 contacts to residue 12 ============
assign (resid   12 and name HA) (resid   15 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (85 viol avg 0.695)
assign (resid   12 and name HA) (resid   15 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   15 and name HB*) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.730
assign (resid   15 and name HN) (resid   12 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.010
 
! =========== i+3 contacts to residue 13 ============
assign (resid   13 and name HA) (resid   16 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.050
assign (resid   16 and name HD**) (resid   13 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.209
assign (resid   16 and name HB*) (resid   13 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   16 and name HB*) (resid   13 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.673
assign (resid   13 and name HA) (resid   16 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   13 and name HN) (resid   16 and name HD**)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (67 viol avg 0.335)
assign (resid   13 and name HA) (resid   16 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (78 viol avg 0.652)
assign (resid   13 and name HG**) (resid   16 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   16 and name HA) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   16 and name HD**) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   13 and name HB) (resid   16 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (57 viol avg 0.113)
assign (resid   13 and name HN) (resid   16 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   16 and name HB*) (resid   13 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   16 and name HD**) (resid   13 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   13 and name HB) (resid   16 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   16 and name HB*) (resid   13 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+3 contacts to residue 14 ============
assign (resid   17 and name HB) (resid   14 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   17 and name HN) (resid   14 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (99 viol avg 0.150)
assign (resid   14 and name HB*) (resid   17 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (99 viol avg 0.150)
assign (resid   14 and name HA) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   17 and name HA) (resid   14 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   17 and name HN) (resid   14 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   14 and name HA) (resid   17 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   14 and name HA) (resid   17 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.527
 
! =========== i+3 contacts to residue 15 ============
assign (resid   15 and name HA) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.326
assign (resid   18 and name HB*) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.412
assign (resid   15 and name HA) (resid   18 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.480
assign (resid   18 and name HB*) (resid   15 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   18 and name HD*) (resid   15 and name HD**)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (54 viol avg 0.131)
assign (resid   18 and name HB*) (resid   15 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   15 and name HA) (resid   18 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (65 viol avg 0.271)
assign (resid   18 and name HB*) (resid   15 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   18 and name HN) (resid   15 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   15 and name HD**) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   15 and name HD**) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   15 and name HN) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   15 and name HN) (resid   18 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   18 and name HB*) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.478
! assign (resid   15 and name HN) (resid   18 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 11
assign (resid   18 and name HB*) (resid   15 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   15 and name HB*) (resid   18 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   15 and name HB*) (resid   18 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
! assign (resid   18 and name HA) (resid   15 and name HD**)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
! assign (resid   18 and name HA) (resid   15 and name HG)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
! assign (resid   18 and name HA) (resid   15 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   18 and name HB*) (resid   15 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
 
! =========== i+3 contacts to residue 16 ============
assign (resid   16 and name HB*) (resid   19 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (83 viol avg 0.762)
assign (resid   19 and name HB*) (resid   16 and name HD**)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (96 viol avg 0.310)
assign (resid   19 and name HB*) (resid   16 and name HD**)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (96 viol avg 0.310)
assign (resid   16 and name HD**) (resid   19 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   16 and name HD**) (resid   19 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
 
! =========== i+3 contacts to residue 17 ============
assign (resid   20 and name HB*) (resid   17 and name HA)  2.300 0.500 0.500 ! no changes - calc dist 2.760
assign (resid   17 and name HA) (resid   20 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 2.819
assign (resid   20 and name HA) (resid   17 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (87 viol avg 0.159)
assign (resid   17 and name HA) (resid   20 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (87 viol avg 0.159)
assign (resid   17 and name HN) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   17 and name HB) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   20 and name HB*) (resid   17 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+3 contacts to residue 18 ============
assign (resid   18 and name HA) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   21 and name HN) (resid   18 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   18 and name HN) (resid   21 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   21 and name HN) (resid   18 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   18 and name HN) (resid   21 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+3 contacts to residue 19 ============
assign (resid   22 and name HA*) (resid   19 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (61 viol avg 0.606)
assign (resid   19 and name HA) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   19 and name HA) (resid   22 and name HA*)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (61 viol avg 0.606)
assign (resid   22 and name HN) (resid   19 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.579
 
! =========== i+3 contacts to residue 20 ============
assign (resid   23 and name HB*) (resid   20 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   20 and name HA) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.692
assign (resid   23 and name HB*) (resid   20 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.750
assign (resid   20 and name HA) (resid   23 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   23 and name HB*) (resid   20 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (68 viol avg 0.147)
assign (resid   20 and name HA) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   20 and name HB*) (resid   23 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
! assign (resid   23 and name HA) (resid   20 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign (resid   23 and name HN) (resid   20 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
assign (resid   23 and name HN) (resid   20 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   20 and name HB*) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.432
assign (resid   23 and name HN) (resid   20 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   20 and name HN) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   23 and name HD*) (resid   20 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.755
! assign (resid   23 and name HA) (resid   20 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   20 and name HA) (resid   23 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
! assign (resid   20 and name HB*) (resid   23 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
! assign (resid   20 and name HN) (resid   23 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
 
! =========== i+3 contacts to residue 21 ============
! assign (resid   24 and name HA) (resid   21 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   24 and name HN) (resid   21 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (82 viol avg 0.630)
assign (resid   21 and name HA) (resid   24 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (90 viol avg 1.427)
assign (resid   21 and name HA) (resid   24 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   21 and name HA) (resid   24 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (44 viol avg 0.741)
! assign (resid   21 and name HA) (resid   24 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
 
! =========== i+3 contacts to residue 22 ============
assign (resid   25 and name HA) (resid   22 and name HA*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (63 viol avg 0.250)
assign (resid   22 and name HA*) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   25 and name HD**) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   25 and name HB*) (resid   22 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   25 and name HN) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   22 and name HN) (resid   25 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   25 and name HG) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   22 and name HA*) (resid   25 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   25 and name HB*) (resid   22 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   22 and name HN) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   22 and name HN) (resid   25 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   25 and name HG) (resid   22 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+3 contacts to residue 23 ============
assign (resid   23 and name HA) (resid   26 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (58 viol avg 1.004)
assign (resid   23 and name HA) (resid   26 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (43 viol avg 1.574)
assign (resid   23 and name HA) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.129
assign (resid   26 and name HB*) (resid   23 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   26 and name HB*) (resid   23 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (89 viol avg 0.845)
assign (resid   26 and name HN) (resid   23 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   23 and name HN) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   26 and name HD*) (resid   23 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   23 and name HN) (resid   26 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   23 and name HN) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   26 and name HN) (resid   23 and name HA)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+3 contacts to residue 24 ============
! assign (resid   24 and name HZ3) (resid   27 and name HZ*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
! assign (resid   27 and name HN) (resid   24 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   27 and name HG*) (resid   24 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   27 and name HN) (resid   24 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.241
 
! =========== i+3 contacts to residue 25 ============
assign (resid   28 and name HB*) (resid   25 and name HD**)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (40 viol avg 0.301)
assign (resid   25 and name HA) (resid   28 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.692
! assign (resid   25 and name HA) (resid   28 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign (resid   28 and name HB*) (resid   25 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   28 and name HD*) (resid   25 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   28 and name HB*) (resid   25 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   25 and name HD**) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   25 and name HA) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.267
! assign (resid   25 and name HG) (resid   28 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   25 and name HA) (resid   28 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   25 and name HA) (resid   28 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.388
! assign (resid   28 and name HA) (resid   25 and name HG)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   25 and name HB*) (resid   28 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   28 and name HE*) (resid   25 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   25 and name HB*) (resid   28 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   28 and name HD*) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   25 and name HN) (resid   28 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   28 and name HN) (resid   25 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+3 contacts to residue 26 ============
assign (resid   29 and name HB*) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
! assign (resid   26 and name HB*) (resid   29 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   29 and name HB*) (resid   26 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (41 viol avg 0.569)
assign (resid   26 and name HD*) (resid   29 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
! assign (resid   29 and name HB*) (resid   26 and name HZ)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
! assign (resid   29 and name HA) (resid   26 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   29 and name HN) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   26 and name HN) (resid   29 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   29 and name HN) (resid   26 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+3 contacts to residue 27 ============
assign (resid   30 and name HB*) (resid   27 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.010
assign (resid   30 and name HG*) (resid   27 and name HZ*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (53 viol avg 0.154)
assign (resid   30 and name HB*) (resid   27 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.195
assign (resid   27 and name HA) (resid   30 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   30 and name HG*) (resid   27 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   27 and name HA) (resid   30 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   27 and name HA) (resid   30 and name HG*)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   27 and name HA) (resid   30 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.388
assign (resid   30 and name HN) (resid   27 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   30 and name HG*) (resid   27 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   27 and name HZ*) (resid   30 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (53 viol avg 0.154)
assign (resid   27 and name HZ*) (resid   30 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (53 viol avg 0.154)
assign (resid   27 and name HA) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   30 and name HE2*) (resid   27 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   27 and name HA) (resid   30 and name HE2*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   27 and name HN) (resid   30 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   30 and name HN) (resid   27 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+3 contacts to residue 28 ============
assign (resid   31 and name HB*) (resid   28 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   28 and name HB*) (resid   31 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+3 contacts to residue 29 ============
assign (resid   29 and name HA) (resid   32 and name HG*)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   29 and name HN) (resid   32 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   32 and name HN) (resid   29 and name HD**)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+3 contacts to residue 30 ============
 
! =========== i+3 contacts to residue 31 ============
 
! =========== i+3 contacts to residue 32 ============
 
! --------------------------------------------------------------------------
! i +/- 4 contacts
 
! =========== i+4 contacts to residue 1 ============
 
! =========== i+4 contacts to residue 2 ============
 
! =========== i+4 contacts to residue 3 ============
assign (resid   7 and name HB*) (resid   3 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   3 and name HA) (resid   7 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+4 contacts to residue 4 ============
assign (resid   8 and name HG**) (resid   4 and name HG2*)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (59 viol avg 0.757)
! 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 7
assign (resid   8 and name HB) (resid   4 and name HG2*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
! assign (resid   4 and name HA) (resid   8 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
 
! =========== i+4 contacts to residue 5 ============
assign (resid   5 and name HG2*) (resid   9 and name HD1*)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (73 viol avg 0.120)
assign (resid   9 and name HG2*) (resid   5 and name HD1*)  2.900 1.100 1.100 ! no changes - calc dist 3.638
assign (resid   9 and name HN) (resid   5 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (86 viol avg 0.129)
assign (resid   5 and name HD1*) (resid   9 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   5 and name HG1*) (resid   9 and name HD1*)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (94 viol avg 0.151)
assign (resid   5 and name HA) (resid   9 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   5 and name HG1*) (resid   9 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   5 and name HB) (resid   9 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   9 and name HD1*) (resid   5 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.067
assign (resid   9 and name HD1*) (resid   5 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.161
assign (resid   9 and name HD1*) (resid   5 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (60 viol avg 0.233)
assign (resid   9 and name HN) (resid   5 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   9 and name HB) (resid   5 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   9 and name HN) (resid   5 and name HD1*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   9 and name HN) (resid   5 and name HG1*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   5 and name HA) (resid   9 and name HD1*)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (60 viol avg 0.233)
assign (resid   9 and name HA) (resid   5 and name HD1*)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (70 viol avg 0.894)
assign (resid   5 and name HD1*) (resid   9 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   5 and name HD1*) (resid   9 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   5 and name HD1*) (resid   9 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.362
! assign (resid   5 and name HG1*) (resid   9 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   9 and name HD1*) (resid   5 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   5 and name HN) (resid   9 and name HD1*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+4 contacts to residue 6 ============
assign (resid   6 and name HA) (resid   10 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   10 and name HB*) (resid   6 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   10 and name HN) (resid   6 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   6 and name HE3) (resid   10 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   6 and name HA) (resid   10 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   6 and name HE3) (resid   10 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   6 and name HA) (resid   10 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   10 and name HB*) (resid   6 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   6 and name HD1) (resid   10 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   6 and name HN) (resid   10 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   10 and name HB*) (resid   6 and name HD1)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   6 and name HZ3) (resid   10 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+4 contacts to residue 7 ============
assign (resid   7 and name HB*) (resid   11 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   7 and name HG*) (resid   11 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   7 and name HG*) (resid   11 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+4 contacts to residue 8 ============
assign (resid   8 and name HG**) (resid   12 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.620
 
! =========== i+4 contacts to residue 9 ============
assign (resid   9 and name HA) (resid   13 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.835
assign (resid   13 and name HN) (resid   9 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.956
assign (resid   13 and name HB) (resid   9 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (94 viol avg 0.163)
assign (resid   13 and name HN) (resid   9 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (99 viol avg 0.172)
assign (resid   9 and name HG2*) (resid   13 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (99 viol avg 0.172)
! assign (resid   13 and name HA) (resid   9 and name HG2*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign (resid   9 and name HN) (resid   13 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   13 and name HB) (resid   9 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   13 and name HB) (resid   9 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   9 and name HA) (resid   13 and name HB)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+4 contacts to residue 10 ============
assign (resid   10 and name HN) (resid   14 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.420)
assign (resid   14 and name HB*) (resid   10 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.420)
assign (resid   14 and name HN) (resid   10 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   10 and name HA) (resid   14 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.858
 
! =========== i+4 contacts to residue 11 ============
assign (resid   11 and name HA*) (resid   15 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.555
 
! =========== i+4 contacts to residue 12 ============
assign (resid   16 and name HG) (resid   12 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.813
assign (resid   16 and name HN) (resid   12 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (88 viol avg 0.599)
assign (resid   16 and name HN) (resid   12 and name HG)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (81 viol avg 0.586)
assign (resid   12 and name HG) (resid   16 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (81 viol avg 0.586)
 
! =========== i+4 contacts to residue 13 ============
assign (resid   17 and name HN) (resid   13 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.711
assign (resid   13 and name HG**) (resid   17 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (54 viol avg 0.262)
assign (resid   13 and name HG**) (resid   17 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   17 and name HB) (resid   13 and name HG**)  2.900 1.100 1.100 ! no changes - calc dist 3.930
assign (resid   13 and name HG**) (resid   17 and name HB)  3.400 1.600 1.600 ! no changes - calc dist 4.634
! assign (resid   13 and name HA) (resid   17 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   13 and name HA) (resid   17 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   17 and name HN) (resid   13 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.893
! assign (resid   13 and name HN) (resid   17 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   17 and name HB) (resid   13 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.362
 
! =========== i+4 contacts to residue 14 ============
assign (resid   18 and name HN) (resid   14 and name HA)  2.900 1.100 1.100 ! no changes - calc dist 3.858
assign (resid   14 and name HA) (resid   18 and name HN)  2.900 1.100 1.100 ! no changes - calc dist 3.881
assign (resid   14 and name HB*) (resid   18 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   14 and name HB*) (resid   18 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (54 viol avg 0.128)
assign (resid   18 and name HB*) (resid   14 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   18 and name HA) (resid   14 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   14 and name HA) (resid   18 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   14 and name HA) (resid   18 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
! assign (resid   14 and name HB*) (resid   18 and name HZ)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
assign (resid   18 and name HD*) (resid   14 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   18 and name HA) (resid   14 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+4 contacts to residue 15 ============
assign (resid   19 and name HG) (resid   15 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (85 viol avg 0.799)
assign (resid   19 and name HB*) (resid   15 and name HD**)  2.900 1.100 1.100 ! no changes - calc dist 3.338
assign (resid   15 and name HD**) (resid   19 and name HB*)  2.900 1.100 1.100 ! no changes - calc dist 3.571
! assign (resid   19 and name HA) (resid   15 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign (resid   19 and name HB*) (resid   15 and name HG)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (62 viol avg 0.282)
 
! =========== i+4 contacts to residue 16 ============
 
! =========== i+4 contacts to residue 17 ============
assign (resid   17 and name HG2*) (resid   21 and name HD*)  2.900 1.100 1.100 ! no changes - calc dist 3.771
assign (resid   21 and name HD*) (resid   17 and name HG2*)  2.900 1.100 1.100 ! no changes - calc dist 3.982
assign (resid   21 and name HN) (resid   17 and name HG2*)  3.400 1.600 1.600 ! no changes - calc dist 4.230
assign (resid   17 and name HG2*) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   21 and name HN) (resid   17 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   17 and name HA) (resid   21 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   17 and name HA) (resid   21 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   21 and name HD*) (resid   17 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.147
! assign (resid   21 and name HA) (resid   17 and name HG2*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign (resid   21 and name HA) (resid   17 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.802
 
! =========== i+4 contacts to residue 18 ============
 
! =========== i+4 contacts to residue 19 ============
assign (resid   23 and name HA) (resid   19 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (58 viol avg 1.242)
assign (resid   23 and name HN) (resid   19 and name HD**)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   19 and name HD**) (resid   23 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
 
! =========== i+4 contacts to residue 20 ============
 
! =========== i+4 contacts to residue 21 ============
assign (resid   25 and name HB*) (resid   21 and name HB*)  3.400 1.600 1.600 ! no changes - calc dist 4.305
assign (resid   21 and name HN) (resid   25 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (40 viol avg 0.365)
assign (resid   21 and name HA) (resid   25 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.755
assign (resid   25 and name HN) (resid   21 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (40 viol avg 0.365)
assign (resid   21 and name HA) (resid   25 and name HD**)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   21 and name HN) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   25 and name HB*) (resid   21 and name HN)  3.900 2.100 2.100 ! shortened - calc dist 6.000
 
! =========== i+4 contacts to residue 22 ============
assign (resid   22 and name HA*) (resid   26 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   26 and name HN) (resid   22 and name HA*)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   26 and name HB*) (resid   22 and name HA*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   26 and name HN) (resid   22 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   22 and name HA*) (resid   26 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   22 and name HN) (resid   26 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+4 contacts to residue 23 ============
assign (resid   27 and name HE*) (resid   23 and name HZ)  3.400 1.600 1.600 ! no changes - calc dist 4.346
assign (resid   27 and name HG*) (resid   23 and name HZ)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (53 viol avg 0.501)
assign (resid   27 and name HE*) (resid   23 and name HZ)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   23 and name HZ) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   23 and name HZ) (resid   27 and name HE*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   23 and name HA) (resid   27 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
! assign (resid   23 and name HA) (resid   27 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   23 and name HZ) (resid   27 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
! assign (resid   27 and name HN) (resid   23 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
 
! =========== i+4 contacts to residue 24 ============
assign (resid   24 and name HZ2) (resid   28 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.603
assign (resid   28 and name HD*) (resid   24 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (68 viol avg 0.213)
assign (resid   24 and name HH2) (resid   28 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.792
assign (resid   24 and name HD1) (resid   28 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (68 viol avg 0.213)
assign (resid   28 and name HE*) (resid   24 and name HZ2)  2.900 1.100 1.100 ! no changes - calc dist 3.905
assign (resid   24 and name HA) (resid   28 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.579
assign (resid   28 and name HD*) (resid   24 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.821
assign (resid   28 and name HA) (resid   24 and name HD1)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   28 and name HD*) (resid   24 and name HE3)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   28 and name HN) (resid   24 and name HD1)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (46 viol avg 1.493)
! assign (resid   24 and name HB*) (resid   28 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   28 and name HB*) (resid   24 and name HD1)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   28 and name HD*) (resid   24 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   28 and name HB*) (resid   24 and name HD1)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   24 and name HE1) (resid   28 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.147
assign (resid   28 and name HB*) (resid   24 and name HE3)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   24 and name HE1) (resid   28 and name HE*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   24 and name HD1) (resid   28 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   28 and name HB*) (resid   24 and name HE3)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   28 and name HE*) (resid   24 and name HE1)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   28 and name HB*) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.802
assign (resid   28 and name HB*) (resid   24 and name HZ3)  3.900 2.100 2.100 ! no changes - calc dist 5.802
! assign (resid   28 and name HN) (resid   24 and name HE3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign (resid   24 and name HD1) (resid   28 and name HB*)  3.900 2.100 2.100 ! shortened - calc dist 6.000
assign (resid   28 and name HB*) (resid   24 and name HE1)  3.900 2.100 2.100 ! shortened - calc dist 6.000
! assign (resid   28 and name HB*) (resid   24 and name HH2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   24 and name HE3) (resid   28 and name HD*)  3.900 2.100 2.100 ! shortened - calc dist 7.570
 
! =========== i+4 contacts to residue 25 ============
assign (resid   25 and name HA) (resid   29 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   29 and name HN) (resid   25 and name HA)  3.400 1.600 1.600 ! no changes - calc dist 4.692
assign (resid   25 and name HG) (resid   29 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   29 and name HN) (resid   25 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   29 and name HN) (resid   25 and name HG)  3.900 2.100 2.100 ! no changes - calc dist 5.489
 
! =========== i+4 contacts to residue 26 ============
assign (resid   30 and name HE2*) (resid   26 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.260
assign (resid   30 and name HE2*) (resid   26 and name HE*)  2.900 1.100 1.100 ! no changes - calc dist 3.452
assign (resid   26 and name HE*) (resid   30 and name HE2*)  2.900 1.100 1.100 ! no changes - calc dist 3.638
! assign (resid   30 and name HG*) (resid   26 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign (resid   30 and name HE2*) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.038
assign (resid   26 and name HE*) (resid   30 and name HE2*)  3.400 1.600 1.600 ! no changes - calc dist 4.097
assign (resid   30 and name HE2*) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.478
assign (resid   30 and name HN) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.527
assign (resid   26 and name HD*) (resid   30 and name HE2*)  3.400 1.600 1.600 ! no changes - calc dist 4.634
assign (resid   30 and name HB*) (resid   26 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (51 viol avg 0.688)
assign (resid   30 and name HG*) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.893
assign (resid   26 and name HD*) (resid   30 and name HN)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   30 and name HG*) (resid   26 and name HD*)  3.400 1.600 1.600 ! no changes - calc dist 4.971
assign (resid   30 and name HB*) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.055
assign (resid   26 and name HD*) (resid   30 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.362
assign (resid   26 and name HE*) (resid   30 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   30 and name HB*) (resid   26 and name HD*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
assign (resid   26 and name HD*) (resid   30 and name HG*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== i+4 contacts to residue 27 ============
assign (resid   31 and name HB*) (resid   27 and name HZ*)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (58 viol avg 0.759)
assign (resid   27 and name HA) (resid   31 and name HN)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   27 and name HZ*) (resid   31 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.249
assign (resid   31 and name HN) (resid   27 and name HA)  3.900 2.100 2.100 ! no changes - calc dist 5.634
! assign (resid   27 and name HG*) (resid   31 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
 
! =========== i+4 contacts to residue 28 ============
assign (resid   32 and name HG*) (resid   28 and name HB*)  3.900 2.100 2.100 ! no changes - calc dist 5.489
 
! =========== i+4 contacts to residue 29 ============
 
! =========== i+4 contacts to residue 30 ============
 
! =========== i+4 contacts to residue 31 ============
 
! =========== i+4 contacts to residue 32 ============
 
! --------------------------------------------------------------------------
! i +/- 5 and longer contacts
 
! =========== i+5 or longer contacts to residue 1 ============
 
! =========== i+5 or longer contacts to residue 2 ============
assign (resid   2 and name HD*) (resid   7 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (40 viol avg 0.432)
 
! =========== i+5 or longer contacts to residue 3 ============
 
! =========== i+5 or longer contacts to residue 4 ============
 
! =========== i+5 or longer contacts to residue 5 ============
assign (resid   10 and name HN) (resid   5 and name HD1*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
assign (resid   10 and name HN) (resid   5 and name HG1*)  3.900 2.100 2.100 ! no changes - calc dist 5.634
 
! =========== 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 HA)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (93 viol avg 0.783)
 
! =========== i+5 or longer contacts to residue 8 ============
 
! =========== i+5 or longer contacts to residue 9 ============
 
! =========== i+5 or longer contacts to residue 10 ============
 
! =========== i+5 or longer contacts to residue 11 ============
 
! =========== i+5 or longer contacts to residue 12 ============
 
! =========== i+5 or longer contacts to residue 13 ============
 
! =========== i+5 or longer contacts to residue 14 ============
! assign (resid   14 and name HA) (resid   19 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
! assign (resid   19 and name HA) (resid   14 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
 
! =========== i+5 or longer contacts to residue 15 ============
 
! =========== i+5 or longer contacts to residue 16 ============
! assign (resid   16 and name HG) (resid   21 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
 
! =========== 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 ============
! assign (resid   25 and name HA) (resid   20 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 21 ============
! assign (resid   21 and name HN) (resid   26 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
 
! =========== i+5 or longer contacts to residue 22 ============
assign (resid   22 and name HA*) (resid   27 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (53 viol avg 0.269)
 
! =========== i+5 or longer contacts to residue 23 ============
! assign (resid   23 and name HE*) (resid   28 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
 
! =========== i+5 or longer contacts to residue 24 ============
! assign (resid   29 and name HB*) (resid   24 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
 
! =========== i+5 or longer contacts to residue 25 ============
 
! =========== i+5 or longer contacts to residue 26 ============
 
! =========== i+5 or longer contacts to residue 27 ============
 
! =========== i+5 or longer contacts to residue 28 ============
 
! =========== i+5 or longer contacts to residue 29 ============
 
! =========== i+5 or longer contacts to residue 30 ============
 
! =========== i+5 or longer contacts to residue 31 ============
 
! =========== i+5 or longer contacts to residue 32 ============
 
! --------------------------------------------------------------------------
! Ambiguous NOEs
assign ((resid   23 and name HE*) or (resid   26 and name HE*))
       ((resid   23 and name HD*) or (resid   26 and name HZ))
        2.300 0.500 0.500 ! lengthened - calc dist 1.508
assign ((resid   23 and name HD*) or (resid   26 and name HZ))
       ((resid   23 and name HE*) or (resid   26 and name HE*))
        2.300 0.500 0.500 ! lengthened - calc dist 1.585
assign ((resid   14 and name HB*) or (resid   16 and name HG))
       ((resid   14 and name HN) or (resid   16 and name HN))
        2.300 0.500 0.500 ! no changes - calc dist 2.291
assign ((resid   14 and name HN) or (resid   16 and name HN))
       ((resid   14 and name HB*) or (resid   16 and name HG))
        2.300 0.500 0.500 ! no changes - calc dist 2.336
assign ((resid   25 and name HD**) or (resid   29 and name HD**))
       ((resid   28 and name HD*))
        2.900 1.100 1.100 ! incr to 4.0 after round 9. (58 viol avg 0.184)
assign ((resid   16 and name HA) or (resid   19 and name HA))
       ((resid   16 and name HN) or (resid   19 and name HN))
        2.300 0.500 0.500 ! no changes - calc dist 2.534
assign ((resid   25 and name HD**) or (resid   29 and name HD**))
       ((resid   21 and name HE*) or (resid   26 and name HZ))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (67 viol avg 1.237)
assign ((resid   16 and name HN) or (resid   19 and name HN))
       ((resid   16 and name HA) or (resid   19 and name HA))
        2.300 0.500 0.500 ! no changes - calc dist 2.618
assign ((resid   28 and name HD*))
       ((resid   25 and name HD**) or (resid   29 and name HD**))
        2.900 1.100 1.100 ! incr to 4.0 after round 9. (58 viol avg 0.184)
assign ((resid   25 and name HD**) or (resid   29 and name HD**))
       ((resid   28 and name HE*))
        2.300 0.500 0.500 ! no changes - calc dist 2.674
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   5 and name HA))
        2.300 0.500 0.500 ! no changes - calc dist 2.720
assign ((resid   18 and name HA) or (resid   23 and name HA))
       ((resid   18 and name HD*) or (resid   23 and name HD*))
        2.300 0.500 0.500 ! no changes - calc dist 2.730
assign ((resid   5 and name HA))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        2.300 0.500 0.500 ! no changes - calc dist 2.776
assign ((resid   21 and name HE*) or (resid   26 and name HZ))
       ((resid   25 and name HD**) or (resid   29 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 2.847
assign ((resid   14 and name HN) or (resid   16 and name HN))
       ((resid   13 and name HG**) or (resid   17 and name HG2*))
        2.900 1.100 1.100 ! no changes - calc dist 2.853
assign ((resid   31 and name HE*) or (resid   32 and name HE*))
       ((resid   31 and name HD*) or (resid   32 and name HD*))
        2.900 1.100 1.100 ! no changes - calc dist 2.883
assign ((resid   26 and name HA) or (resid   30 and name HA))
       ((resid   26 and name HD*))
        2.900 1.100 1.100 ! no changes - calc dist 2.902
assign ((resid   31 and name HD*) or (resid   32 and name HD*))
       ((resid   31 and name HE*) or (resid   32 and name HE*))
        2.900 1.100 1.100 ! no changes - calc dist 2.922
assign ((resid   15 and name HN))
       ((resid   14 and name HN) or (resid   16 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 2.997
assign ((resid   9 and name HN) or (resid   11 and name HN))
       ((resid   10 and name HN) or (resid   12 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 2.997
assign ((resid   25 and name HD**))
       ((resid   21 and name HD*) or (resid   24 and name HD1))
        2.900 1.100 1.100 ! no changes - calc dist 3.012
assign ((resid   9 and name HN) or (resid   11 and name HN))
       ((resid   10 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.012
assign ((resid   10 and name HN))
       ((resid   9 and name HG1*) or (resid   13 and name HG**))
        2.900 1.100 1.100 ! no changes - calc dist 3.035
assign ((resid   10 and name HN) or (resid   12 and name HN))
       ((resid   9 and name HN) or (resid   11 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.043
assign ((resid   13 and name HG**) or (resid   17 and name HG2*))
       ((resid   14 and name HN) or (resid   16 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.058
assign ((resid   10 and name HB*))
       ((resid   9 and name HG1*) or (resid   13 and name HG**))
        2.900 1.100 1.100 ! no changes - calc dist 3.083
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   12 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.099
assign ((resid   14 and name HN) or (resid   16 and name HN))
       ((resid   15 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.099
assign ((resid   9 and name HD1*))
       ((resid   5 and name HG2*) or (resid   12 and name HD**))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (94 viol avg 0.367)
assign ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
       ((resid   18 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.108
assign ((resid   12 and name HD**))
       ((resid   8 and name HA) or (resid   9 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.134
assign ((resid   12 and name HA) or (resid   32 and name HA))
       ((resid   12 and name HG) or (resid   32 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.134
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   12 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.152
assign ((resid   15 and name HG))
       ((resid   16 and name HN) or (resid   19 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.152
assign ((resid   12 and name HN))
       ((resid   8 and name HA) or (resid   9 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.161
assign ((resid   10 and name HB*))
       ((resid   9 and name HN) or (resid   11 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.209
assign ((resid   12 and name HG) or (resid   32 and name HB*))
       ((resid   12 and name HA) or (resid   32 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.219
assign ((resid   9 and name HG1*) or (resid   13 and name HG**))
       ((resid   10 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.219
assign ((resid   18 and name HN))
       ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.260
assign ((resid   28 and name HE*))
       ((resid   25 and name HD**) or (resid   29 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.270
assign ((resid   21 and name HD*) or (resid   24 and name HD1))
       ((resid   25 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.270
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   10 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.281
assign ((resid   10 and name HN))
       ((resid   8 and name HA) or (resid   9 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.292
assign ((resid   25 and name HD**))
       ((resid   21 and name HZ) or (resid   24 and name HE3))
        2.900 1.100 1.100 ! no changes - calc dist 3.292
assign ((resid   14 and name HN) or (resid   16 and name HN))
       ((resid   15 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.292
assign ((resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
       ((resid   17 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.338
assign ((resid   26 and name HD*))
       ((resid   26 and name HA) or (resid   30 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.350
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   5 and name HG2*) or (resid   12 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.362
assign ((resid   15 and name HA))
       ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.374
assign ((resid   14 and name HN) or (resid   16 and name HN))
       ((resid   13 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.412
assign ((resid   13 and name HA))
       ((resid   14 and name HN) or (resid   16 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.425
assign ((resid   15 and name HD**))
       ((resid   14 and name HN) or (resid   16 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.438
assign ((resid   19 and name HN) or (resid   20 and name HN))
       ((resid   21 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.452
assign ((resid   16 and name HA) or (resid   19 and name HA))
       ((resid   18 and name HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (95 viol avg 0.302)
assign ((resid   21 and name HN))
       ((resid   19 and name HN) or (resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.480
assign ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN))
       ((resid   15 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.480
assign ((resid   7 and name HA) or (resid   10 and name HA))
       ((resid   9 and name HN) or (resid   11 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.494
assign ((resid   17 and name HN))
       ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.509
assign ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
       ((resid   17 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.524
assign ((resid   12 and name HB*))
       ((resid   8 and name HA) or (resid   9 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.555
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   5 and name HD1*))
        2.900 1.100 1.100 ! no changes - calc dist 3.571
assign ((resid   21 and name HZ) or (resid   24 and name HE3))
       ((resid   25 and name HD**))
        2.900 1.100 1.100 ! no changes - calc dist 3.571
assign ((resid   18 and name HN))
       ((resid   16 and name HA) or (resid   19 and name HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (95 viol avg 0.302)
assign ((resid   25 and name HA))
       ((resid   21 and name HZ) or (resid   24 and name HE3))
        2.900 1.100 1.100 ! no changes - calc dist 3.587
assign ((resid   13 and name HA))
       ((resid   14 and name HB*) or (resid   16 and name HG))
        2.900 1.100 1.100 ! no changes - calc dist 3.603
assign ((resid   17 and name HA))
       ((resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.603
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   12 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.620
assign ((resid   1 and name HD*) or (resid   2 and name HD*))
       ((resid   1 and name HE*) or (resid   2 and name HE*))
        2.900 1.100 1.100 ! no changes - calc dist 3.620
assign ((resid   20 and name HB*))
       ((resid   21 and name HD*) or (resid   24 and name HD1))
        2.900 1.100 1.100 ! no changes - calc dist 3.655
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   5 and name HB))
        2.900 1.100 1.100 ! no changes - calc dist 3.673
assign ((resid   5 and name HG1*))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (99 viol avg 0.251)
assign ((resid   29 and name HB*) or (resid   30 and name HB*))
       ((resid   28 and name HD*) or (resid   31 and name HZ*))
        2.900 1.100 1.100 ! no changes - calc dist 3.692
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   5 and name HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.519)
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   5 and name HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.519)
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   5 and name HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.519)
assign ((resid   12 and name HB*))
       ((resid   8 and name HA) or (resid   9 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.730
assign ((resid   14 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
       ((resid   18 and name HD*) or (resid   21 and name H))
        2.900 1.100 1.100 ! no changes - calc dist 3.750
assign ((resid   12 and name HD**))
       ((resid   9 and name HN) or (resid   11 and name HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 7. (50 viol avg 0.224)
assign ((resid   24 and name HA) or (resid   26 and name HA))
       ((resid   27 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.792
assign ((resid   12 and name HA) or (resid   20 and name HA))
       ((resid   13 and name HN) or (resid   24 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.792
assign ((resid   18 and name HA))
       ((resid   19 and name HN) or (resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.792
assign ((resid   4 and name HG2*))
       ((resid   3 and name HE1) or (resid   6 and name HD1))
        2.900 1.100 1.100 ! no changes - calc dist 3.835
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   12 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.881
assign ((resid   25 and name HN))
       ((resid   21 and name HZ) or (resid   24 and name HE3))
        2.900 1.100 1.100 ! no changes - calc dist 3.881
assign ((resid   21 and name HZ) or (resid   24 and name HE3))
       ((resid   25 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.881
assign ((resid   14 and name HN) or (resid   16 and name HN))
       ((resid   13 and name HB))
        2.900 1.100 1.100 ! no changes - calc dist 3.881
assign ((resid   5 and name HD1*))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        2.900 1.100 1.100 ! no changes - calc dist 3.905
assign ((resid   17 and name HB))
       ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.930
assign ((resid   22 and name HA*))
       ((resid   19 and name HN) or (resid   20 and name HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (61 viol avg 0.352)
assign ((resid   26 and name HA) or (resid   30 and name HA))
       ((resid   29 and name HN))
        2.900 1.100 1.100 ! no changes - calc dist 3.956
assign ((resid   13 and name HN) or (resid   24 and name HN))
       ((resid   12 and name HA) or (resid   20 and name HA))
        2.900 1.100 1.100 ! no changes - calc dist 3.982
assign ((resid   21 and name HD*) or (resid   24 and name HD1))
       ((resid   20 and name HB*))
        2.900 1.100 1.100 ! no changes - calc dist 3.982
assign ((resid   27 and name HN))
       ((resid   24 and name HA) or (resid   26 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.010
assign ((resid   13 and name HB))
       ((resid   14 and name HB*) or (resid   16 and name HG))
        3.400 1.600 1.600 ! no changes - calc dist 4.038
assign ((resid   13 and name HB))
       ((resid   14 and name HB*) or (resid   16 and name HG))
        3.400 1.600 1.600 ! no changes - calc dist 4.038
assign ((resid   13 and name HB))
       ((resid   14 and name HB*) or (resid   16 and name HG))
        3.400 1.600 1.600 ! no changes - calc dist 4.038
assign ((resid   19 and name HN) or (resid   20 and name HN))
       ((resid   22 and name HA*))
        3.400 1.600 1.600 ! no changes - calc dist 4.038
assign ((resid   27 and name HG*))
       ((resid   23 and name HD*) or (resid   26 and name HZ))
        3.400 1.600 1.600 ! no changes - calc dist 4.038
assign ((resid   5 and name HA))
       ((resid   8 and name HA) or (resid   9 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.067
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   12 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.067
assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   12 and name HG))
        3.400 1.600 1.600 ! no changes - calc dist 4.067
assign ((resid   12 and name HA))
       ((resid   8 and name HA) or (resid   9 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.129
assign ((resid   21 and name HZ) or (resid   24 and name HE3))
       ((resid   25 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.129
assign ((resid   24 and name HA) or (resid   26 and name HA))
       ((resid   27 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.161
assign ((resid   18 and name HD*) or (resid   23 and name HD*))
       ((resid   18 and name HA) or (resid   23 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.161
assign ((resid   24 and name HA) or (resid   26 and name HA))
       ((resid   27 and name HG*))
        3.400 1.600 1.600 ! no changes - calc dist 4.195
assign ((resid   29 and name HN))
       ((resid   26 and name HA) or (resid   30 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.195
assign ((resid   27 and name HG*))
       ((resid   24 and name HA) or (resid   26 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.230
assign ((resid   18 and name HA) or (resid   23 and name HA))
       ((resid   22 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.230
assign ((resid   18 and name HD*) or (resid   21 and name HE*))
       ((resid   14 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.230
assign ((resid   29 and name HB*) or (resid   30 and name HB*))
       ((resid   28 and name HE*))
        3.400 1.600 1.600 ! no changes - calc dist 4.267
assign ((resid   25 and name HG) or (resid   31 and name HD*))
       ((resid   29 and name HB*) or (resid   30 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.267
assign ((resid   12 and name HB*))
       ((resid   9 and name HN) or (resid   11 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.267
assign ((resid   27 and name HB*))
       ((resid   24 and name HA) or (resid   26 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.267
assign ((resid   29 and name HB*) or (resid   30 and name HB*))
       ((resid   25 and name HG) or (resid   31 and name HD*))
        3.400 1.600 1.600 ! no changes - calc dist 4.305
assign ((resid   15 and name HG) or (resid   25 and name HB*))
       ((resid   18 and name HD*) or (resid   21 and name HE*) or (resid   26 and name HZ))
        3.400 1.600 1.600 ! no changes - calc dist 4.346
assign ((resid   3 and name HB*))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.400 1.600 1.600 ! no changes - calc dist 4.346
assign ((resid   22 and name HA*))
       ((resid   18 and name HD*) or (resid   23 and name HD*))
        3.400 1.600 1.600 ! no changes - calc dist 4.346
assign ((resid   28 and name HD*) or (resid   31 and name HZ*))
       ((resid   29 and name HB*) or (resid   30 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.432
assign ((resid   25 and name HG) or (resid   31 and name HD*))
       ((resid   28 and name HE*))
        3.400 1.600 1.600 ! no changes - calc dist 4.478
assign ((resid   14 and name HB*) or (resid   16 and name HG))
       ((resid   13 and name HB))
        3.400 1.600 1.600 ! no changes - calc dist 4.478
assign ((resid   19 and name HN) or (resid   20 and name HN))
       ((resid   21 and name HD*) or (resid   24 and name HD1))
        3.400 1.600 1.600 ! no changes - calc dist 4.527
assign ((resid   12 and name HB*))
       ((resid   9 and name HN) or (resid   11 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.527
assign ((resid   12 and name HA))
       ((resid   9 and name HN) or (resid   11 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.527
assign ((resid   9 and name HD1*))
       ((resid   5 and name HB) or (resid   12 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.579
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   6 and name HE3))
        3.400 1.600 1.600 ! no changes - calc dist 4.634
assign ((resid   25 and name HG))
       ((resid   21 and name HZ) or (resid   24 and name HE3))
        3.400 1.600 1.600 ! no changes - calc dist 4.634
assign ((resid   19 and name HN) or (resid   20 and name HN))
       ((resid   18 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.634
assign ((resid   3 and name HB*))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.400 1.600 1.600 ! no changes - calc dist 4.634
assign ((resid   14 and name HN) or (resid   16 and name HN) or (resid   19 and name HN) or (resid   20 and name HN))
       ((resid   17 and name HB))
        3.400 1.600 1.600 ! no changes - calc dist 4.634
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   3 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.692
assign ((resid   9 and name HN) or (resid   11 and name HN))
       ((resid   12 and name HA))
        3.400 1.600 1.600 ! no changes - calc dist 4.692
assign ((resid   23 and name HD*) or (resid   26 and name HZ))
       ((resid   27 and name HG*))
        3.400 1.600 1.600 ! no changes - calc dist 4.692
assign ((resid   25 and name HG))
       ((resid   21 and name HD*) or (resid   24 and name HD1))
        3.900 2.100 2.100 ! incr to 6.0 after round 1. (54 viol avg 0.714)
assign ((resid   14 and name HN) or (resid   19 and name HN))
       ((resid   18 and name HE*))
        3.900 2.100 2.100 ! incr to 6.0 after round 1. (90 viol avg 0.794)
assign ((resid   17 and name HB))
       ((resid   18 and name HD*) or (resid   21 and name HE*))
        3.900 2.100 2.100 ! incr to 6.0 after round 1. (91 viol avg 0.875)
assign ((resid   18 and name HA) or (resid   23 and name HA))
       ((resid   22 and name HA*))
        3.400 1.600 1.600 ! no changes - calc dist 4.821
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   3 and name HB*))
        3.400 1.600 1.600 ! no changes - calc dist 4.893
assign ((resid   17 and name HA))
       ((resid   18 and name HD*) or (resid   21 and name HE*))
        3.400 1.600 1.600 ! no changes - calc dist 4.893
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   6 and name HN))
        3.400 1.600 1.600 ! no changes - calc dist 4.971
assign ((resid   25 and name HD**) or (resid   29 and name HD**))
       ((resid   27 and name HN))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (43 viol avg 0.518)
assign ((resid   5 and name HN))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.400 1.600 1.600 ! no changes - calc dist 4.971
! assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   6 and name HD1))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign ((resid   27 and name HN))
       ((resid   25 and name HD**) or (resid   29 and name HD**))
        3.900 2.100 2.100 ! no changes - calc dist 5.055
assign ((resid   21 and name HZ) or (resid   24 and name HE3))
       ((resid   25 and name HG))
        3.900 2.100 2.100 ! no changes - calc dist 5.055
assign ((resid   18 and name HD*) or (resid   21 and name HE*) or (resid   26 and name HZ))
       ((resid   15 and name HG) or (resid   25 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.055
assign ((resid   28 and name HB*))
       ((resid   24 and name HA) or (resid   26 and name HA))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   5 and name HN))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
assign ((resid   27 and name HN))
       ((resid   23 and name HD*) or (resid   26 and name HZ))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
assign ((resid   27 and name HG*))
       ((resid   29 and name HB*) or (resid   30 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
assign ((resid   27 and name HE*))
       ((resid   23 and name HD*) or (resid   26 and name HZ))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
! assign ((resid   26 and name HA) or (resid   30 and name HA))
       ((resid   28 and name HE*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign ((resid   23 and name HD*) or (resid   26 and name HZ))
       ((resid   27 and name HN))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
assign ((resid   23 and name HD*) or (resid   26 and name HZ))
       ((resid   27 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.147
! assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   6 and name HE3))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign ((resid   8 and name HG**) or (resid   9 and name HG1*))
       ((resid   3 and name HD2))
        3.900 2.100 2.100 ! no changes - calc dist 5.249
assign ((resid   4 and name HA))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.900 2.100 2.100 ! no changes - calc dist 5.249
assign ((resid   27 and name HE*))
       ((resid   23 and name HD*) or (resid   26 and name HZ))
        3.900 2.100 2.100 ! no changes - calc dist 5.249
assign ((resid   28 and name HE*))
       ((resid   25 and name HG) or (resid   31 and name HD*))
        3.900 2.100 2.100 ! no changes - calc dist 5.362
assign ((resid   24 and name HN))
       ((resid   23 and name HE*) or (resid   27 and name HZ*))
        3.900 2.100 2.100 ! no changes - calc dist 5.362
! assign ((resid   6 and name HE3))
       ((resid   8 and name HA) or (resid   9 and name HA))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign ((resid   28 and name HB*))
       ((resid   24 and name HA) or (resid   26 and name HA))
        3.900 2.100 2.100 ! no changes - calc dist 5.489
assign ((resid   3 and name HD2))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.900 2.100 2.100 ! no changes - calc dist 5.489
! assign ((resid   3 and name HA))
       ((resid   8 and name HG**) or (resid   9 and name HG1*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 11
assign ((resid   18 and name HE*))
       ((resid   14 and name HN) or (resid   19 and name HN))
        3.900 2.100 2.100 ! no changes - calc dist 5.634
! assign ((resid   6 and name HN))
       ((resid   8 and name HA) or (resid   9 and name HA))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign ((resid   28 and name HE*))
       ((resid   29 and name HB*) or (resid   30 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.802
assign ((resid   24 and name HA) or (resid   26 and name HA))
       ((resid   28 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.802
assign ((resid   29 and name HB*) or (resid   30 and name HB*))
       ((resid   28 and name HB*))
        3.900 2.100 2.100 ! no changes - calc dist 5.802
! assign ((resid   8 and name HA) or (resid   9 and name HA))
       ((resid   6 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign ((resid   28 and name HB*))
       ((resid   29 and name HB*) or (resid   30 and name HB*))
        3.900 2.100 2.100 ! shortened - calc dist 6.000
assign ((resid   24 and name HA) or (resid   26 and name HA))
       ((resid   28 and name HB*))
        3.900 2.100 2.100 ! shortened - calc dist 6.000
assign ((resid   23 and name HE*) or (resid   27 and name HZ*))
       ((resid   24 and name HN))
        3.900 2.100 2.100 ! shortened - calc dist 6.000
! assign ((resid   26 and name HN))
       ((resid   20 and name HA))
        3.900 2.100 2.100 ! incr to 6.0 after round 1. (63 viol avg 0.984) ! not like an ambiguous noe
! assign ((resid   20 and name HA))
       ((resid   26 and name HN))
        3.900 2.100 2.100 ! incr to 6.0 after round 1. (63 viol avg 0.984) ! not like an ambiguous noe
! assign ((resid   26 and name HB*))
       ((resid   20 and name HA))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 1
! assign ((resid   29 and name HB*))
       ((resid   23 and name HB*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 1
! assign ((resid   31 and name HN))
       ((resid   25 and name HB*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 1
! assign ((resid   25 and name HB*))
       ((resid   31 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 1


! hbonds based on characteristic a-helical NOEs
! initially for residues from 9 to 27 in round 14
! each pair represents 1 hbond
! removed for residues 11, 12, 15 & 16 in round 16 based on analysis of round 15
! removed for residue 20 in round 17 based on analysis of round 16

assign (resid  9 and name O) (resid 13 and name HN) 2.2 0.5 0.2
assign (resid  9 and name O) (resid 13 and name N ) 3.3 0.8 0.2
assign (resid 10 and name O) (resid 14 and name HN) 2.2 0.5 0.2
assign (resid 10 and name O) (resid 14 and name N ) 3.3 0.8 0.2
! assign (resid 11 and name O) (resid 15 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
! assign (resid 11 and name O) (resid 15 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
! assign (resid 12 and name O) (resid 16 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
! assign (resid 12 and name O) (resid 16 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
assign (resid 13 and name O) (resid 17 and name HN) 2.2 0.5 0.2
assign (resid 13 and name O) (resid 17 and name N ) 3.3 0.8 0.2
assign (resid 14 and name O) (resid 18 and name HN) 2.2 0.5 0.2
assign (resid 14 and name O) (resid 18 and name N ) 3.3 0.8 0.2
! assign (resid 15 and name O) (resid 19 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
! assign (resid 15 and name O) (resid 19 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
! assign (resid 16 and name O) (resid 20 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
! assign (resid 16 and name O) (resid 20 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
assign (resid 17 and name O) (resid 21 and name HN) 2.2 0.5 0.2
assign (resid 17 and name O) (resid 21 and name N ) 3.3 0.8 0.2
assign (resid 18 and name O) (resid 22 and name HN) 2.2 0.5 0.2
assign (resid 18 and name O) (resid 22 and name N ) 3.3 0.8 0.2
assign (resid 19 and name O) (resid 23 and name HN) 2.2 0.5 0.2
assign (resid 19 and name O) (resid 23 and name N ) 3.3 0.8 0.2
! assign (resid 20 and name O) (resid 24 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 16
! assign (resid 20 and name O) (resid 24 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 16
assign (resid 21 and name O) (resid 25 and name HN) 2.2 0.5 0.2
assign (resid 21 and name O) (resid 25 and name N ) 3.3 0.8 0.2
assign (resid 22 and name O) (resid 26 and name HN) 2.2 0.5 0.2
assign (resid 22 and name O) (resid 26 and name N ) 3.3 0.8 0.2
assign (resid 23 and name O) (resid 27 and name HN) 2.2 0.5 0.2
assign (resid 23 and name O) (resid 27 and name N ) 3.3 0.8 0.2


! dihedrals based on characteristic a-helical NOEs
! Phi (top) and Psi (bottom) angles
! initially for residues from 9 to 27 in round 14 (phi=-80 +/- 50 psi= -20 +/- 40)
! finally phi=-80 +/- 50 psi= -20 +/- 40 (for all but the following residues) in round 16 & 17
! and phi=-80 +/- 60 psi= -30 +/- 50 (for residues 10, 17, 24 & 25; modified based on analysis of round 15) in round 16 & 17
assign (resid  8 and name C ) (resid  9 and name N )
       (resid  9 and name CA) (resid  9 and name C )  1.0  -80  50 2
assign (resid  9 and name N ) (resid  9 and name CA)
       (resid  9 and name C ) (resid 10 and name N )  1.0  -20  40 2
assign (resid  9 and name C ) (resid 10 and name N )
       (resid 10 and name CA) (resid 10 and name C )  1.0  -80  60 2 ! modified after round 15
assign (resid 10 and name N ) (resid 10 and name CA)
       (resid 10 and name C ) (resid 11 and name N )  1.0  -30  50 2 ! modified after round 15
assign (resid 10 and name C ) (resid 11 and name N )
       (resid 11 and name CA) (resid 11 and name C )  1.0  -80  50 2
assign (resid 11 and name N ) (resid 11 and name CA)
       (resid 11 and name C ) (resid 12 and name N )  1.0  -20  40 2
assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA) (resid 12 and name C )  1.0  -80  50 2
assign (resid 12 and name N ) (resid 12 and name CA)
       (resid 12 and name C ) (resid 13 and name N )  1.0  -20  40 2
assign (resid 12 and name C ) (resid 13 and name N )
       (resid 13 and name CA) (resid 13 and name C )  1.0  -80  50 2
assign (resid 13 and name N ) (resid 13 and name CA)
       (resid 13 and name C ) (resid 14 and name N )  1.0  -20  40 2
assign (resid 13 and name C ) (resid 14 and name N )
       (resid 14 and name CA) (resid 14 and name C )  1.0  -80  50 2
assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name C ) (resid 15 and name N )  1.0  -20  40 2
assign (resid 14 and name C ) (resid 15 and name N )
       (resid 15 and name CA) (resid 15 and name C )  1.0  -80  50 2
assign (resid 15 and name N ) (resid 15 and name CA)
       (resid 15 and name C ) (resid 16 and name N )  1.0  -20  40 2
assign (resid 15 and name C ) (resid 16 and name N )
       (resid 16 and name CA) (resid 16 and name C )  1.0  -80  50 2
assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name C ) (resid 17 and name N )  1.0  -20  40 2
assign (resid 16 and name C ) (resid 17 and name N )
       (resid 17 and name CA) (resid 17 and name C )  1.0  -80  60 2 ! modified after round 15
assign (resid 17 and name N ) (resid 17 and name CA)
       (resid 17 and name C ) (resid 18 and name N )  1.0  -30  50 2 ! modified after round 15
assign (resid 17 and name C ) (resid 18 and name N )
       (resid 18 and name CA) (resid 18 and name C )  1.0  -80  50 2
assign (resid 18 and name N ) (resid 18 and name CA)
       (resid 18 and name C ) (resid 19 and name N )  1.0  -20  40 2
assign (resid 18 and name C ) (resid 19 and name N )
       (resid 19 and name CA) (resid 19 and name C )  1.0  -80  50 2
assign (resid 19 and name N ) (resid 19 and name CA)
       (resid 19 and name C ) (resid 20 and name N )  1.0  -20  40 2
assign (resid 19 and name C ) (resid 20 and name N )
       (resid 20 and name CA) (resid 20 and name C )  1.0  -80  50 2
assign (resid 20 and name N ) (resid 20 and name CA)
       (resid 20 and name C ) (resid 21 and name N )  1.0  -20  40 2
assign (resid 20 and name C ) (resid 21 and name N )
       (resid 21 and name CA) (resid 21 and name C )  1.0  -80  50 2
assign (resid 21 and name N ) (resid 21 and name CA)
       (resid 21 and name C ) (resid 22 and name N )  1.0  -20  40 2
assign (resid 21 and name C ) (resid 22 and name N )
       (resid 22 and name CA) (resid 22 and name C )  1.0  -80  50 2
assign (resid 22 and name N ) (resid 22 and name CA)
       (resid 22 and name C ) (resid 23 and name N )  1.0  -20  40 2
assign (resid 22 and name C ) (resid 23 and name N )
       (resid 23 and name CA) (resid 23 and name C )  1.0  -80  50 2
assign (resid 23 and name N ) (resid 23 and name CA)
       (resid 23 and name C ) (resid 24 and name N )  1.0  -20  40 2
assign (resid 23 and name C ) (resid 24 and name N )
       (resid 24 and name CA) (resid 24 and name C )  1.0  -80  60 2 ! modified after round 15
assign (resid 24 and name N ) (resid 24 and name CA)
       (resid 24 and name C ) (resid 25 and name N )  1.0  -30  50 2 ! modified after round 15
assign (resid 24 and name C ) (resid 25 and name N )
       (resid 25 and name CA) (resid 25 and name C )  1.0  -80  60 2 ! modified after round 15
assign (resid 25 and name N ) (resid 25 and name CA)
       (resid 25 and name C ) (resid 26 and name N )  1.0  -30  50 2 ! modified after round 15
assign (resid 25 and name C ) (resid 26 and name N )
       (resid 26 and name CA) (resid 26 and name C )  1.0  -80  50 2
assign (resid 26 and name N ) (resid 26 and name CA)
       (resid 26 and name C ) (resid 27 and name N )  1.0  -20  40 2
assign (resid 26 and name C ) (resid 27 and name N )
       (resid 27 and name CA) (resid 27 and name C )  1.0  -80  50 2
assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name C ) (resid 28 and name N )  1.0  -20  40 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1  22.169  17.889   0.765
    2    H2   LYS   1           HT2      LYS   1  22.008  16.202   0.656
    3    H3   LYS   1           HT3      LYS   1  21.091  17.211  -0.357
    4    HA   LYS   1           HA       LYS   1  23.132  17.999  -1.422
    5    HB2  LYS   1           HB2      LYS   1  24.515  17.441   0.661
    6    HB3  LYS   1           HB1      LYS   1  24.494  15.769   0.098
    7    HG2  LYS   1           HG2      LYS   1  26.399  16.435  -0.990
    8    HG3  LYS   1           HG1      LYS   1  25.233  16.989  -2.191
    9    HD2  LYS   1           HD2      LYS   1  25.187  19.196  -0.849
   10    HD3  LYS   1           HD1      LYS   1  26.665  18.608  -0.086
   11    HE2  LYS   1           HE2      LYS   1  27.339  18.149  -2.636
   12    HE3  LYS   1           HE1      LYS   1  26.200  19.468  -2.905
   13    HZ1  LYS   1           HZ1      LYS   1  28.194  19.770  -0.783
   14    HZ2  LYS   1           HZ2      LYS   1  27.496  20.947  -1.791
   15    HZ3  LYS   1           HZ3      LYS   1  28.714  19.926  -2.390
   16    H    LYS   2           HN       LYS   2  23.085  14.551  -0.486
   17    HA   LYS   2           HA       LYS   2  22.062  13.877  -3.161
   18    HB2  LYS   2           HB2      LYS   2  23.780  11.910  -3.044
   19    HB3  LYS   2           HB1      LYS   2  24.321  13.497  -3.595
   20    HG2  LYS   2           HG2      LYS   2  25.539  13.898  -1.689
   21    HG3  LYS   2           HG1      LYS   2  24.429  12.989  -0.663
   22    HD2  LYS   2           HD2      LYS   2  25.368  10.915  -1.273
   23    HD3  LYS   2           HD1      LYS   2  26.139  11.586  -2.711
   24    HE2  LYS   2           HE2      LYS   2  26.884  12.498   0.071
   25    HE3  LYS   2           HE1      LYS   2  27.670  11.122  -0.702
   26    HZ1  LYS   2           HZ1      LYS   2  27.883  13.953  -1.296
   27    HZ2  LYS   2           HZ2      LYS   2  27.792  12.930  -2.650
   28    HZ3  LYS   2           HZ3      LYS   2  29.021  12.711  -1.498
   29    H    HIS   3           HN       HIS   3  22.766  12.892   0.150
   30    HA   HIS   3           HA       HIS   3  20.296  11.449   0.349
   31    HB2  HIS   3           HB2      HIS   3  21.780   9.823  -0.884
   32    HB3  HIS   3           HB1      HIS   3  22.822   9.797   0.539
   33    HD2  HIS   3           HD2      HIS   3  21.874   6.995   0.766
   34    HE1  HIS   3           HE1      HIS   3  18.143   8.164   2.358
   35    HE2  HIS   3           HE2      HIS   3  19.706   6.198   1.982
   36    H    THR   4           HN       THR   4  22.170   9.716   2.291
   37    HA   THR   4           HA       THR   4  22.103  11.698   4.491
   38    HB   THR   4           HB       THR   4  20.399  10.051   4.903
   39    HG1  THR   4           HG1      THR   4  21.978  10.613   6.597
   40   HG21  THR   4          HG21      THR   4  21.874   7.630   5.134
   41   HG22  THR   4          HG22      THR   4  22.244   8.319   3.553
   42   HG23  THR   4          HG23      THR   4  20.571   8.001   4.007
   43    H    ILE   5           HN       ILE   5  23.267   8.778   5.527
   44    HA   ILE   5           HA       ILE   5  26.065   9.675   5.220
   45    HB   ILE   5           HB       ILE   5  26.383   8.107   7.247
   46   HG12  ILE   5          HG12      ILE   5  23.603   8.720   8.026
   47   HG13  ILE   5          HG11      ILE   5  23.752   7.503   6.758
   48   HG21  ILE   5          HG21      ILE   5  26.645  10.449   7.557
   49   HG22  ILE   5          HG22      ILE   5  25.475   9.956   8.780
   50   HG23  ILE   5          HG23      ILE   5  24.925  10.753   7.305
   51   HD11  ILE   5          HD11      ILE   5  25.089   6.094   8.109
   52   HD12  ILE   5          HD12      ILE   5  23.817   6.663   9.190
   53   HD13  ILE   5          HD13      ILE   5  25.425   7.383   9.263
   54    H    TRP   6           HN       TRP   6  23.798   7.162   4.571
   55    HA   TRP   6           HA       TRP   6  25.265   4.864   4.382
   56    HB2  TRP   6           HB2      TRP   6  22.883   5.912   3.145
   57    HB3  TRP   6           HB1      TRP   6  23.810   4.982   1.969
   58    HD1  TRP   6           HD1      TRP   6  22.629   2.716   1.925
   59    HE1  TRP   6           HE1      TRP   6  22.019   0.935   3.679
   60    HE3  TRP   6           HE3      TRP   6  23.840   5.241   6.185
   61    HZ2  TRP   6           HZ2      TRP   6  22.042   0.624   6.516
   62    HZ3  TRP   6           HZ3      TRP   6  23.537   4.181   8.405
   63    HH2  TRP   6           HH2      TRP   6  22.639   1.875   8.577
   64    H    GLU   7           HN       GLU   7  24.981   7.266   1.751
   65    HA   GLU   7           HA       GLU   7  26.866   6.085   0.045
   66    HB2  GLU   7           HB2      GLU   7  25.406   8.583   0.221
   67    HB3  GLU   7           HB1      GLU   7  27.035   8.831  -0.409
   68    HG2  GLU   7           HG2      GLU   7  25.139   6.708  -1.442
   69    HG3  GLU   7           HG1      GLU   7  25.314   8.300  -2.176
   70    H    VAL   8           HN       VAL   8  27.393   7.358   3.067
   71    HA   VAL   8           HA       VAL   8  30.158   8.175   2.441
   72    HB   VAL   8           HB       VAL   8  28.764   8.620   5.075
   73   HG11  VAL   8          HG11      VAL   8  30.550   9.985   5.555
   74   HG12  VAL   8          HG12      VAL   8  30.779  10.454   3.870
   75   HG13  VAL   8          HG13      VAL   8  31.359   8.887   4.436
   76   HG21  VAL   8          HG21      VAL   8  28.183  10.872   4.234
   77   HG22  VAL   8          HG22      VAL   8  27.378   9.622   3.286
   78   HG23  VAL   8          HG23      VAL   8  28.803  10.438   2.642
   79    H    ILE   9           HN       ILE   9  28.204   6.022   4.443
   80    HA   ILE   9           HA       ILE   9  30.666   4.619   5.257
   81    HB   ILE   9           HB       ILE   9  29.761   5.272   7.265
   82   HG12  ILE   9          HG12      ILE   9  29.570   2.601   6.812
   83   HG13  ILE   9          HG11      ILE   9  29.195   3.355   8.348
   84   HG21  ILE   9          HG21      ILE   9  27.890   6.483   6.522
   85   HG22  ILE   9          HG22      ILE   9  27.260   5.319   7.679
   86   HG23  ILE   9          HG23      ILE   9  27.066   5.037   5.945
   87   HD11  ILE   9          HD11      ILE   9  27.439   1.734   7.420
   88   HD12  ILE   9          HD12      ILE   9  27.070   2.977   6.232
   89   HD13  ILE   9          HD13      ILE   9  26.858   3.312   7.947
   90    H    ALA  10           HN       ALA  10  27.291   4.181   4.248
   91    HA   ALA  10           HA       ALA  10  27.533   1.352   3.885
   92    HB1  ALA  10           HB1      ALA  10  25.362   2.536   4.215
   93    HB2  ALA  10           HB2      ALA  10  25.377   1.499   2.789
   94    HB3  ALA  10           HB3      ALA  10  25.546   3.246   2.611
   95    H    GLY  11           HN       GLY  11  27.016   3.889   1.415
   96    HA2  GLY  11           HA2      GLY  11  27.712   2.384  -0.807
   97    HA3  GLY  11           HA1      GLY  11  27.922   4.132  -0.696
   98    H    LEU  12           HN       LEU  12  29.617   3.352   1.804
   99    HA   LEU  12           HA       LEU  12  32.121   3.062   0.299
  100    HB2  LEU  12           HB2      LEU  12  31.709   5.053   1.856
  101    HB3  LEU  12           HB1      LEU  12  31.863   3.901   3.183
  102    HG   LEU  12           HG       LEU  12  34.056   3.216   1.792
  103   HD11  LEU  12          HD11      LEU  12  33.592   4.921   0.038
  104   HD12  LEU  12          HD12      LEU  12  35.123   5.216   0.861
  105   HD13  LEU  12          HD13      LEU  12  33.706   6.184   1.264
  106   HD21  LEU  12          HD21      LEU  12  34.007   3.898   4.154
  107   HD22  LEU  12          HD22      LEU  12  33.824   5.586   3.678
  108   HD23  LEU  12          HD23      LEU  12  35.319   4.724   3.314
  109    H    VAL  13           HN       VAL  13  30.094   1.566   2.705
  110    HA   VAL  13           HA       VAL  13  32.131  -0.551   3.092
  111    HB   VAL  13           HB       VAL  13  29.861   0.235   4.935
  112   HG11  VAL  13          HG11      VAL  13  31.997  -1.906   5.064
  113   HG12  VAL  13          HG12      VAL  13  30.248  -2.123   5.132
  114   HG13  VAL  13          HG13      VAL  13  31.095  -1.365   6.480
  115   HG21  VAL  13          HG21      VAL  13  32.065   1.680   4.658
  116   HG22  VAL  13          HG22      VAL  13  32.785   0.378   5.604
  117   HG23  VAL  13          HG23      VAL  13  31.445   1.311   6.267
  118    H    ALA  14           HN       ALA  14  28.589  -0.070   3.032
  119    HA   ALA  14           HA       ALA  14  27.722  -2.649   2.798
  120    HB1  ALA  14           HB1      ALA  14  26.728  -0.277   1.194
  121    HB2  ALA  14           HB2      ALA  14  26.191  -0.733   2.811
  122    HB3  ALA  14           HB3      ALA  14  25.846  -1.784   1.439
  123    H    LEU  15           HN       LEU  15  28.943  -0.604   0.150
  124    HA   LEU  15           HA       LEU  15  28.661  -2.576  -1.867
  125    HB2  LEU  15           HB2      LEU  15  28.960  -0.149  -2.335
  126    HB3  LEU  15           HB1      LEU  15  30.618  -0.262  -1.746
  127    HG   LEU  15           HG       LEU  15  31.114  -1.947  -3.503
  128   HD11  LEU  15          HD11      LEU  15  28.188  -1.590  -4.003
  129   HD12  LEU  15          HD12      LEU  15  29.173  -3.048  -4.106
  130   HD13  LEU  15          HD13      LEU  15  29.234  -1.849  -5.399
  131   HD21  LEU  15          HD21      LEU  15  31.640   0.329  -4.050
  132   HD22  LEU  15          HD22      LEU  15  29.949   0.708  -4.376
  133   HD23  LEU  15          HD23      LEU  15  30.842  -0.352  -5.468
  134    H    LEU  16           HN       LEU  16  31.122  -1.866   0.507
  135    HA   LEU  16           HA       LEU  16  32.959  -3.835  -0.635
  136    HB2  LEU  16           HB2      LEU  16  33.355  -2.246   1.896
  137    HB3  LEU  16           HB1      LEU  16  34.583  -2.992   0.872
  138    HG   LEU  16           HG       LEU  16  32.809  -0.643   0.150
  139   HD11  LEU  16          HD11      LEU  16  35.826  -0.768   0.227
  140   HD12  LEU  16          HD12      LEU  16  34.883  -0.349   1.658
  141   HD13  LEU  16          HD13      LEU  16  34.791   0.660   0.214
  142   HD21  LEU  16          HD21      LEU  16  33.037  -1.836  -1.869
  143   HD22  LEU  16          HD22      LEU  16  34.669  -2.375  -1.473
  144   HD23  LEU  16          HD23      LEU  16  34.380  -0.695  -1.923
  145    H    THR  17           HN       THR  17  30.279  -3.987   1.192
  146    HA   THR  17           HA       THR  17  31.289  -6.261   2.788
  147    HB   THR  17           HB       THR  17  29.407  -4.059   3.514
  148    HG1  THR  17           HG1      THR  17  30.631  -4.811   5.569
  149   HG21  THR  17          HG21      THR  17  29.266  -6.930   4.419
  150   HG22  THR  17          HG22      THR  17  27.948  -5.867   3.926
  151   HG23  THR  17          HG23      THR  17  28.751  -5.615   5.475
  152    H    PHE  18           HN       PHE  18  28.204  -4.913   1.601
  153    HA   PHE  18           HA       PHE  18  26.617  -7.109   1.576
  154    HB2  PHE  18           HB2      PHE  18  26.231  -4.693   0.621
  155    HB3  PHE  18           HB1      PHE  18  26.675  -5.440  -0.914
  156    HD1  PHE  18           HD2      PHE  18  24.381  -5.801   2.012
  157    HD2  PHE  18           HD1      PHE  18  25.117  -6.754  -2.111
  158    HE1  PHE  18           HE2      PHE  18  22.108  -6.776   1.832
  159    HE2  PHE  18           HE1      PHE  18  22.844  -7.729  -2.292
  160    HZ   PHE  18           HZ       PHE  18  21.340  -7.740  -0.320
  161    H    LEU  19           HN       LEU  19  28.960  -6.280  -0.981
  162    HA   LEU  19           HA       LEU  19  28.467  -8.641  -2.515
  163    HB2  LEU  19           HB2      LEU  19  30.596  -6.520  -2.511
  164    HB3  LEU  19           HB1      LEU  19  30.787  -7.961  -3.505
  165    HG   LEU  19           HG       LEU  19  29.695  -6.010  -4.689
  166   HD11  LEU  19          HD11      LEU  19  29.039  -8.742  -4.776
  167   HD12  LEU  19          HD12      LEU  19  28.681  -7.533  -6.007
  168   HD13  LEU  19          HD13      LEU  19  27.489  -7.903  -4.761
  169   HD21  LEU  19          HD21      LEU  19  27.512  -5.302  -4.077
  170   HD22  LEU  19          HD22      LEU  19  28.404  -5.375  -2.557
  171   HD23  LEU  19          HD23      LEU  19  27.287  -6.670  -2.988
  172    H    ALA  20           HN       ALA  20  31.284  -7.684  -0.530
  173    HA   ALA  20           HA       ALA  20  32.792  -9.941  -0.634
  174    HB1  ALA  20           HB1      ALA  20  33.314  -9.462   1.849
  175    HB2  ALA  20           HB2      ALA  20  32.199  -8.107   1.674
  176    HB3  ALA  20           HB3      ALA  20  33.649  -8.189   0.675
  177    H    PHE  21           HN       PHE  21  30.123  -9.435   1.689
  178    HA   PHE  21           HA       PHE  21  30.227 -12.181   2.572
  179    HB2  PHE  21           HB2      PHE  21  28.342  -9.892   3.150
  180    HB3  PHE  21           HB1      PHE  21  28.146 -11.502   3.843
  181    HD1  PHE  21           HD2      PHE  21  30.769  -8.861   3.375
  182    HD2  PHE  21           HD1      PHE  21  29.212 -11.995   5.866
  183    HE1  PHE  21           HE2      PHE  21  32.453  -8.317   5.112
  184    HE2  PHE  21           HE1      PHE  21  30.895 -11.451   7.602
  185    HZ   PHE  21           HZ       PHE  21  32.515  -9.612   7.225
  186    H    GLY  22           HN       GLY  22  28.081 -10.208   0.550
  187    HA2  GLY  22           HA2      GLY  22  26.013 -12.012   0.118
  188    HA3  GLY  22           HA1      GLY  22  26.546 -10.815  -1.058
  189    H    PHE  23           HN       PHE  23  29.043 -11.661  -1.720
  190    HA   PHE  23           HA       PHE  23  28.629 -13.582  -3.660
  191    HB2  PHE  23           HB2      PHE  23  30.916 -12.212  -2.516
  192    HB3  PHE  23           HB1      PHE  23  31.318 -13.872  -2.954
  193    HD1  PHE  23           HD2      PHE  23  30.186 -14.645  -5.285
  194    HD2  PHE  23           HD1      PHE  23  31.164 -10.606  -4.193
  195    HE1  PHE  23           HE2      PHE  23  30.244 -14.011  -7.682
  196    HE2  PHE  23           HE1      PHE  23  31.222  -9.973  -6.588
  197    HZ   PHE  23           HZ       PHE  23  30.761 -11.675  -8.333
  198    H    TRP  24           HN       TRP  24  28.964 -13.993  -0.290
  199    HA   TRP  24           HA       TRP  24  29.512 -16.869  -0.593
  200    HB2  TRP  24           HB2      TRP  24  31.061 -15.865   0.926
  201    HB3  TRP  24           HB1      TRP  24  29.768 -15.013   1.772
  202    HD1  TRP  24           HD1      TRP  24  30.420 -18.705   0.825
  203    HE1  TRP  24           HE1      TRP  24  29.858 -20.172   2.872
  204    HE3  TRP  24           HE3      TRP  24  28.992 -15.091   4.115
  205    HZ2  TRP  24           HZ2      TRP  24  28.923 -19.845   5.553
  206    HZ3  TRP  24           HZ3      TRP  24  28.268 -15.688   6.413
  207    HH2  TRP  24           HH2      TRP  24  28.232 -18.060   7.134
  208    H    LEU  25           HN       LEU  25  27.766 -14.968   1.831
  209    HA   LEU  25           HA       LEU  25  25.987 -16.512   2.924
  210    HB2  LEU  25           HB2      LEU  25  25.678 -13.802   1.792
  211    HB3  LEU  25           HB1      LEU  25  24.180 -14.629   2.222
  212    HG   LEU  25           HG       LEU  25  26.527 -14.566   4.114
  213   HD11  LEU  25          HD11      LEU  25  25.543 -12.591   5.182
  214   HD12  LEU  25          HD12      LEU  25  24.270 -12.543   3.962
  215   HD13  LEU  25          HD13      LEU  25  25.943 -12.225   3.503
  216   HD21  LEU  25          HD21      LEU  25  23.762 -14.463   5.118
  217   HD22  LEU  25          HD22      LEU  25  25.085 -15.532   5.582
  218   HD23  LEU  25          HD23      LEU  25  24.108 -15.905   4.163
  219    H    PHE  26           HN       PHE  26  25.223 -15.257  -0.338
  220    HA   PHE  26           HA       PHE  26  23.030 -17.091  -0.651
  221    HB2  PHE  26           HB2      PHE  26  24.384 -15.637  -2.910
  222    HB3  PHE  26           HB1      PHE  26  22.683 -16.065  -2.735
  223    HD1  PHE  26           HD1      PHE  26  21.755 -15.166  -0.267
  224    HD2  PHE  26           HD2      PHE  26  24.770 -13.343  -2.726
  225    HE1  PHE  26           HE1      PHE  26  21.302 -12.976   0.801
  226    HE2  PHE  26           HE2      PHE  26  24.316 -11.154  -1.658
  227    HZ   PHE  26           HZ       PHE  26  22.586 -10.972   0.107
  228    H    LYS  27           HN       LYS  27  26.030 -16.736  -2.547
  229    HA   LYS  27           HA       LYS  27  25.907 -19.063  -3.989
  230    HB2  LYS  27           HB2      LYS  27  28.493 -18.035  -2.820
  231    HB3  LYS  27           HB1      LYS  27  28.248 -18.861  -4.358
  232    HG2  LYS  27           HG2      LYS  27  27.303 -16.077  -3.614
  233    HG3  LYS  27           HG1      LYS  27  28.510 -16.502  -4.826
  234    HD2  LYS  27           HD2      LYS  27  26.592 -17.898  -5.905
  235    HD3  LYS  27           HD1      LYS  27  25.528 -16.896  -4.915
  236    HE2  LYS  27           HE2      LYS  27  27.136 -14.978  -5.962
  237    HE3  LYS  27           HE1      LYS  27  27.166 -16.155  -7.276
  238    HZ1  LYS  27           HZ1      LYS  27  25.188 -14.339  -6.779
  239    HZ2  LYS  27           HZ2      LYS  27  24.544 -15.803  -6.204
  240    HZ3  LYS  27           HZ3      LYS  27  25.079 -15.680  -7.813
  241    H    TYR  28           HN       TYR  28  26.111 -18.878  -0.614
  242    HA   TYR  28           HA       TYR  28  27.158 -21.647  -0.451
  243    HB2  TYR  28           HB2      TYR  28  28.570 -20.782   1.066
  244    HB3  TYR  28           HB1      TYR  28  27.673 -19.271   1.160
  245    HD1  TYR  28           HD1      TYR  28  27.346 -22.868   2.162
  246    HD2  TYR  28           HD2      TYR  28  26.541 -18.765   3.136
  247    HE1  TYR  28           HE1      TYR  28  26.387 -23.573   4.340
  248    HE2  TYR  28           HE2      TYR  28  25.582 -19.465   5.311
  249    HH   TYR  28           HH       TYR  28  25.697 -22.846   6.364
  250    H    LEU  29           HN       LEU  29  24.814 -19.429   1.083
  251    HA   LEU  29           HA       LEU  29  23.347 -21.678   2.194
  252    HB2  LEU  29           HB2      LEU  29  23.716 -19.171   3.102
  253    HB3  LEU  29           HB1      LEU  29  22.185 -18.949   2.256
  254    HG   LEU  29           HG       LEU  29  22.758 -21.049   4.368
  255   HD11  LEU  29          HD11      LEU  29  20.958 -19.724   5.591
  256   HD12  LEU  29          HD12      LEU  29  21.174 -18.470   4.369
  257   HD13  LEU  29          HD13      LEU  29  22.515 -18.913   5.424
  258   HD21  LEU  29          HD21      LEU  29  21.164 -22.054   2.977
  259   HD22  LEU  29          HD22      LEU  29  20.433 -20.511   2.536
  260   HD23  LEU  29          HD23      LEU  29  20.144 -21.199   4.134
  261    H    GLN  30           HN       GLN  30  22.855 -19.188  -0.280
  262    HA   GLN  30           HA       GLN  30  20.226 -20.104  -0.979
  263    HB2  GLN  30           HB2      GLN  30  20.897 -17.785  -1.356
  264    HB3  GLN  30           HB1      GLN  30  22.159 -18.314  -2.463
  265    HG2  GLN  30           HG2      GLN  30  20.701 -18.710  -4.157
  266    HG3  GLN  30           HG1      GLN  30  19.462 -19.346  -3.076
  267   HE21  GLN  30          HE21      GLN  30  20.892 -16.183  -2.433
  268   HE22  GLN  30          HE22      GLN  30  19.522 -15.278  -2.866
  269    H    LYS  31           HN       LYS  31  23.365 -21.210  -1.635
  270    HA   LYS  31           HA       LYS  31  22.394 -22.795  -3.941
  271    HB2  LYS  31           HB2      LYS  31  25.004 -21.434  -3.422
  272    HB3  LYS  31           HB1      LYS  31  25.017 -22.954  -4.314
  273    HG2  LYS  31           HG2      LYS  31  24.837 -21.033  -5.850
  274    HG3  LYS  31           HG1      LYS  31  23.389 -22.038  -5.921
  275    HD2  LYS  31           HD2      LYS  31  22.066 -20.440  -4.949
  276    HD3  LYS  31           HD1      LYS  31  23.369 -19.832  -3.927
  277    HE2  LYS  31           HE2      LYS  31  24.396 -18.726  -5.868
  278    HE3  LYS  31           HE1      LYS  31  23.123 -19.357  -6.913
  279    HZ1  LYS  31           HZ1      LYS  31  22.630 -17.617  -4.560
  280    HZ2  LYS  31           HZ2      LYS  31  21.497 -18.107  -5.728
  281    HZ3  LYS  31           HZ3      LYS  31  22.754 -17.045  -6.152
  282    H    LYS  32           HN       LYS  32  21.606 -24.147  -2.044
  283    HA   LYS  32           HA       LYS  32  23.562 -26.253  -1.593
  284    HB2  LYS  32           HB2      LYS  32  23.181 -26.295   0.850
  285    HB3  LYS  32           HB1      LYS  32  23.954 -24.797   0.333
  286    HG2  LYS  32           HG2      LYS  32  22.300 -23.754   1.473
  287    HG3  LYS  32           HG1      LYS  32  21.270 -24.190   0.108
  288    HD2  LYS  32           HD2      LYS  32  20.677 -26.308   1.238
  289    HD3  LYS  32           HD1      LYS  32  21.686 -25.852   2.611
  290    HE2  LYS  32           HE2      LYS  32  20.067 -24.535   3.460
  291    HE3  LYS  32           HE1      LYS  32  19.849 -23.713   1.915
  292    HZ1  LYS  32           HZ1      LYS  32  18.607 -26.254   2.802
  293    HZ2  LYS  32           HZ2      LYS  32  18.563 -25.712   1.192
  294    HZ3  LYS  32           HZ3      LYS  32  17.826 -24.797   2.420
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  20.768  18.017  -3.636
    2    H2   LYS   1           HT2      LYS   1  22.404  18.467  -3.586
    3    H3   LYS   1           HT3      LYS   1  21.271  19.262  -2.602
    4    HA   LYS   1           HA       LYS   1  22.567  17.712  -1.295
    5    HB2  LYS   1           HB2      LYS   1  20.590  16.292  -0.503
    6    HB3  LYS   1           HB1      LYS   1  20.336  18.039  -0.504
    7    HG2  LYS   1           HG2      LYS   1  19.179  17.900  -2.655
    8    HG3  LYS   1           HG1      LYS   1  19.493  16.166  -2.737
    9    HD2  LYS   1           HD2      LYS   1  18.129  17.195  -0.290
   10    HD3  LYS   1           HD1      LYS   1  17.186  17.132  -1.781
   11    HE2  LYS   1           HE2      LYS   1  17.417  14.803  -1.981
   12    HE3  LYS   1           HE1      LYS   1  18.821  14.758  -0.913
   13    HZ1  LYS   1           HZ1      LYS   1  16.040  15.395  -0.091
   14    HZ2  LYS   1           HZ2      LYS   1  17.391  15.359   0.937
   15    HZ3  LYS   1           HZ3      LYS   1  16.845  13.931   0.197
   16    H    LYS   2           HN       LYS   2  22.036  15.110  -0.788
   17    HA   LYS   2           HA       LYS   2  22.446  13.602  -3.272
   18    HB2  LYS   2           HB2      LYS   2  24.702  13.924  -2.768
   19    HB3  LYS   2           HB1      LYS   2  24.424  13.866  -1.027
   20    HG2  LYS   2           HG2      LYS   2  24.195  11.528  -1.013
   21    HG3  LYS   2           HG1      LYS   2  23.857  11.458  -2.742
   22    HD2  LYS   2           HD2      LYS   2  26.146  10.664  -2.237
   23    HD3  LYS   2           HD1      LYS   2  26.174  12.116  -3.237
   24    HE2  LYS   2           HE2      LYS   2  26.253  12.401  -0.250
   25    HE3  LYS   2           HE1      LYS   2  27.727  11.954  -1.111
   26    HZ1  LYS   2           HZ1      LYS   2  26.499  14.484  -0.909
   27    HZ2  LYS   2           HZ2      LYS   2  26.547  14.017  -2.543
   28    HZ3  LYS   2           HZ3      LYS   2  27.979  14.077  -1.630
   29    H    HIS   3           HN       HIS   3  22.777  12.999   0.231
   30    HA   HIS   3           HA       HIS   3  20.352  11.484   0.390
   31    HB2  HIS   3           HB2      HIS   3  21.891   9.916  -0.857
   32    HB3  HIS   3           HB1      HIS   3  22.913   9.889   0.580
   33    HD2  HIS   3           HD2      HIS   3  22.037   7.067   0.767
   34    HE1  HIS   3           HE1      HIS   3  18.241   8.115   2.288
   35    HE2  HIS   3           HE2      HIS   3  19.866   6.198   1.929
   36    H    THR   4           HN       THR   4  22.243   9.765   2.321
   37    HA   THR   4           HA       THR   4  22.154  11.725   4.542
   38    HB   THR   4           HB       THR   4  20.428  10.093   4.924
   39    HG1  THR   4           HG1      THR   4  22.049  10.620   6.624
   40   HG21  THR   4          HG21      THR   4  22.262   8.351   3.577
   41   HG22  THR   4          HG22      THR   4  20.586   8.042   4.025
   42   HG23  THR   4          HG23      THR   4  21.883   7.655   5.152
   43    H    ILE   5           HN       ILE   5  23.277   8.788   5.576
   44    HA   ILE   5           HA       ILE   5  26.086   9.660   5.298
   45    HB   ILE   5           HB       ILE   5  26.376   8.076   7.312
   46   HG12  ILE   5          HG12      ILE   5  23.598   8.685   8.085
   47   HG13  ILE   5          HG11      ILE   5  23.740   7.495   6.792
   48   HG21  ILE   5          HG21      ILE   5  26.647  10.402   7.671
   49   HG22  ILE   5          HG22      ILE   5  25.429   9.917   8.851
   50   HG23  ILE   5          HG23      ILE   5  24.942  10.731   7.364
   51   HD11  ILE   5          HD11      ILE   5  25.398   7.313   9.304
   52   HD12  ILE   5          HD12      ILE   5  25.077   6.053   8.114
   53   HD13  ILE   5          HD13      ILE   5  23.792   6.592   9.196
   54    H    TRP   6           HN       TRP   6  23.805   7.166   4.617
   55    HA   TRP   6           HA       TRP   6  25.265   4.864   4.406
   56    HB2  TRP   6           HB2      TRP   6  22.887   5.935   3.175
   57    HB3  TRP   6           HB1      TRP   6  23.811   5.002   1.997
   58    HD1  TRP   6           HD1      TRP   6  22.602   2.751   1.941
   59    HE1  TRP   6           HE1      TRP   6  21.981   0.964   3.686
   60    HE3  TRP   6           HE3      TRP   6  23.849   5.236   6.214
   61    HZ2  TRP   6           HZ2      TRP   6  22.010   0.635   6.521
   62    HZ3  TRP   6           HZ3      TRP   6  23.543   4.166   8.428
   63    HH2  TRP   6           HH2      TRP   6  22.624   1.868   8.588
   64    H    GLU   7           HN       GLU   7  24.973   7.288   1.799
   65    HA   GLU   7           HA       GLU   7  26.857   6.132   0.075
   66    HB2  GLU   7           HB2      GLU   7  25.363   8.592   0.261
   67    HB3  GLU   7           HB1      GLU   7  27.004   8.909  -0.301
   68    HG2  GLU   7           HG2      GLU   7  25.196   6.777  -1.468
   69    HG3  GLU   7           HG1      GLU   7  25.385   8.389  -2.152
   70    H    VAL   8           HN       VAL   8  27.398   7.350   3.113
   71    HA   VAL   8           HA       VAL   8  30.161   8.178   2.487
   72    HB   VAL   8           HB       VAL   8  28.776   8.607   5.127
   73   HG11  VAL   8          HG11      VAL   8  30.477  10.234   5.468
   74   HG12  VAL   8          HG12      VAL   8  30.929  10.228   3.763
   75   HG13  VAL   8          HG13      VAL   8  31.307   8.837   4.780
   76   HG21  VAL   8          HG21      VAL   8  28.804  10.439   2.704
   77   HG22  VAL   8          HG22      VAL   8  28.191  10.865   4.302
   78   HG23  VAL   8          HG23      VAL   8  27.381   9.621   3.350
   79    H    ILE   9           HN       ILE   9  28.203   6.023   4.488
   80    HA   ILE   9           HA       ILE   9  30.663   4.604   5.282
   81    HB   ILE   9           HB       ILE   9  29.764   5.245   7.297
   82   HG12  ILE   9          HG12      ILE   9  29.566   2.580   6.825
   83   HG13  ILE   9          HG11      ILE   9  29.195   3.323   8.367
   84   HG21  ILE   9          HG21      ILE   9  27.262   5.295   7.715
   85   HG22  ILE   9          HG22      ILE   9  27.067   5.028   5.981
   86   HG23  ILE   9          HG23      ILE   9  27.893   6.469   6.568
   87   HD11  ILE   9          HD11      ILE   9  26.857   3.288   7.969
   88   HD12  ILE   9          HD12      ILE   9  27.433   1.714   7.428
   89   HD13  ILE   9          HD13      ILE   9  27.067   2.966   6.251
   90    H    ALA  10           HN       ALA  10  27.284   4.185   4.277
   91    HA   ALA  10           HA       ALA  10  27.520   1.357   3.892
   92    HB1  ALA  10           HB1      ALA  10  25.361   1.519   2.799
   93    HB2  ALA  10           HB2      ALA  10  25.530   3.267   2.647
   94    HB3  ALA  10           HB3      ALA  10  25.350   2.534   4.240
   95    H    GLY  11           HN       GLY  11  27.003   3.917   1.446
   96    HA2  GLY  11           HA2      GLY  11  27.689   2.426  -0.791
   97    HA3  GLY  11           HA1      GLY  11  27.903   4.174  -0.667
   98    H    LEU  12           HN       LEU  12  29.601   3.366   1.824
   99    HA   LEU  12           HA       LEU  12  32.103   3.090   0.312
  100    HB2  LEU  12           HB2      LEU  12  31.708   5.062   1.887
  101    HB3  LEU  12           HB1      LEU  12  31.833   3.898   3.206
  102    HG   LEU  12           HG       LEU  12  34.030   3.223   1.757
  103   HD11  LEU  12          HD11      LEU  12  33.716   6.229   1.485
  104   HD12  LEU  12          HD12      LEU  12  33.625   5.076   0.155
  105   HD13  LEU  12          HD13      LEU  12  35.139   5.292   1.032
  106   HD21  LEU  12          HD21      LEU  12  33.982   3.684   4.166
  107   HD22  LEU  12          HD22      LEU  12  33.808   5.411   3.851
  108   HD23  LEU  12          HD23      LEU  12  35.300   4.581   3.416
  109    H    VAL  13           HN       VAL  13  30.077   1.568   2.704
  110    HA   VAL  13           HA       VAL  13  32.114  -0.552   3.073
  111    HB   VAL  13           HB       VAL  13  29.824   0.216   4.898
  112   HG11  VAL  13          HG11      VAL  13  30.148  -2.129   5.117
  113   HG12  VAL  13          HG12      VAL  13  31.085  -1.417   6.430
  114   HG13  VAL  13          HG13      VAL  13  31.899  -1.980   4.972
  115   HG21  VAL  13          HG21      VAL  13  31.407   1.245   6.272
  116   HG22  VAL  13          HG22      VAL  13  32.040   1.643   4.675
  117   HG23  VAL  13          HG23      VAL  13  32.744   0.316   5.598
  118    H    ALA  14           HN       ALA  14  28.572  -0.089   2.977
  119    HA   ALA  14           HA       ALA  14  27.725  -2.670   2.698
  120    HB1  ALA  14           HB1      ALA  14  26.757  -0.180   1.284
  121    HB2  ALA  14           HB2      ALA  14  26.086  -0.934   2.730
  122    HB3  ALA  14           HB3      ALA  14  25.924  -1.730   1.164
  123    H    LEU  15           HN       LEU  15  28.900  -0.568   0.067
  124    HA   LEU  15           HA       LEU  15  28.669  -2.519  -1.968
  125    HB2  LEU  15           HB2      LEU  15  28.948  -0.087  -2.406
  126    HB3  LEU  15           HB1      LEU  15  30.601  -0.186  -1.802
  127    HG   LEU  15           HG       LEU  15  31.139  -1.839  -3.573
  128   HD11  LEU  15          HD11      LEU  15  28.211  -1.525  -4.094
  129   HD12  LEU  15          HD12      LEU  15  29.221  -2.966  -4.202
  130   HD13  LEU  15          HD13      LEU  15  29.272  -1.755  -5.483
  131   HD21  LEU  15          HD21      LEU  15  29.954   0.819  -4.397
  132   HD22  LEU  15          HD22      LEU  15  30.814  -0.219  -5.532
  133   HD23  LEU  15          HD23      LEU  15  31.651   0.427  -4.121
  134    H    LEU  16           HN       LEU  16  31.087  -1.841   0.450
  135    HA   LEU  16           HA       LEU  16  32.949  -3.784  -0.709
  136    HB2  LEU  16           HB2      LEU  16  33.349  -2.191   1.818
  137    HB3  LEU  16           HB1      LEU  16  34.575  -2.925   0.782
  138    HG   LEU  16           HG       LEU  16  32.777  -0.587   0.084
  139   HD11  LEU  16          HD11      LEU  16  34.885  -0.305   1.561
  140   HD12  LEU  16          HD12      LEU  16  34.741   0.731   0.141
  141   HD13  LEU  16          HD13      LEU  16  35.794  -0.684   0.097
  142   HD21  LEU  16          HD21      LEU  16  34.626  -2.303  -1.568
  143   HD22  LEU  16          HD22      LEU  16  34.311  -0.626  -2.014
  144   HD23  LEU  16          HD23      LEU  16  32.982  -1.782  -1.938
  145    H    THR  17           HN       THR  17  30.265  -4.004   1.066
  146    HA   THR  17           HA       THR  17  31.299  -6.261   2.670
  147    HB   THR  17           HB       THR  17  29.427  -4.059   3.434
  148    HG1  THR  17           HG1      THR  17  31.817  -4.814   4.082
  149   HG21  THR  17          HG21      THR  17  28.790  -5.628   5.391
  150   HG22  THR  17          HG22      THR  17  29.292  -6.936   4.322
  151   HG23  THR  17          HG23      THR  17  27.970  -5.869   3.850
  152    H    PHE  18           HN       PHE  18  28.222  -4.892   1.488
  153    HA   PHE  18           HA       PHE  18  26.598  -7.056   1.476
  154    HB2  PHE  18           HB2      PHE  18  26.279  -4.646   0.468
  155    HB3  PHE  18           HB1      PHE  18  26.709  -5.443  -1.046
  156    HD1  PHE  18           HD2      PHE  18  24.448  -5.802   1.918
  157    HD2  PHE  18           HD1      PHE  18  25.069  -6.613  -2.255
  158    HE1  PHE  18           HE2      PHE  18  22.150  -6.721   1.753
  159    HE2  PHE  18           HE1      PHE  18  22.773  -7.531  -2.419
  160    HZ   PHE  18           HZ       PHE  18  21.312  -7.587  -0.415
  161    H    LEU  19           HN       LEU  19  28.967  -6.309  -1.082
  162    HA   LEU  19           HA       LEU  19  28.460  -8.723  -2.543
  163    HB2  LEU  19           HB2      LEU  19  30.578  -6.586  -2.640
  164    HB3  LEU  19           HB1      LEU  19  30.749  -8.054  -3.598
  165    HG   LEU  19           HG       LEU  19  29.630  -6.139  -4.812
  166   HD11  LEU  19          HD11      LEU  19  28.573  -7.690  -6.064
  167   HD12  LEU  19          HD12      LEU  19  27.426  -8.039  -4.773
  168   HD13  LEU  19          HD13      LEU  19  28.981  -8.867  -4.819
  169   HD21  LEU  19          HD21      LEU  19  28.390  -5.416  -2.696
  170   HD22  LEU  19          HD22      LEU  19  27.278  -6.747  -3.014
  171   HD23  LEU  19          HD23      LEU  19  27.440  -5.436  -4.182
  172    H    ALA  20           HN       ALA  20  31.162  -7.654  -0.467
  173    HA   ALA  20           HA       ALA  20  32.786  -9.848  -0.540
  174    HB1  ALA  20           HB1      ALA  20  32.468  -7.627   1.163
  175    HB2  ALA  20           HB2      ALA  20  33.829  -8.748   1.108
  176    HB3  ALA  20           HB3      ALA  20  32.487  -9.044   2.212
  177    H    PHE  21           HN       PHE  21  30.052  -9.431   1.726
  178    HA   PHE  21           HA       PHE  21  30.218 -12.190   2.574
  179    HB2  PHE  21           HB2      PHE  21  28.276  -9.960   3.192
  180    HB3  PHE  21           HB1      PHE  21  28.139 -11.581   3.870
  181    HD1  PHE  21           HD2      PHE  21  30.546  -8.739   3.496
  182    HD2  PHE  21           HD1      PHE  21  29.356 -12.170   5.790
  183    HE1  PHE  21           HE2      PHE  21  32.222  -8.161   5.229
  184    HE2  PHE  21           HE1      PHE  21  31.033 -11.592   7.524
  185    HZ   PHE  21           HZ       PHE  21  32.466  -9.587   7.242
  186    H    GLY  22           HN       GLY  22  28.124 -10.230   0.509
  187    HA2  GLY  22           HA2      GLY  22  26.038 -12.015   0.059
  188    HA3  GLY  22           HA1      GLY  22  26.608 -10.836  -1.118
  189    H    PHE  23           HN       PHE  23  29.135 -11.733  -1.674
  190    HA   PHE  23           HA       PHE  23  28.737 -13.673  -3.613
  191    HB2  PHE  23           HB2      PHE  23  31.013 -12.306  -2.439
  192    HB3  PHE  23           HB1      PHE  23  31.407 -13.974  -2.851
  193    HD1  PHE  23           HD1      PHE  23  30.319 -14.763  -5.195
  194    HD2  PHE  23           HD2      PHE  23  31.302 -10.719  -4.128
  195    HE1  PHE  23           HE1      PHE  23  30.429 -14.155  -7.597
  196    HE2  PHE  23           HE2      PHE  23  31.412 -10.112  -6.528
  197    HZ   PHE  23           HZ       PHE  23  30.974 -11.831  -8.264
  198    H    TRP  24           HN       TRP  24  28.973 -14.031  -0.232
  199    HA   TRP  24           HA       TRP  24  29.517 -16.916  -0.471
  200    HB2  TRP  24           HB2      TRP  24  31.025 -15.893   1.077
  201    HB3  TRP  24           HB1      TRP  24  29.710 -15.021   1.871
  202    HD1  TRP  24           HD1      TRP  24  30.389 -18.727   1.002
  203    HE1  TRP  24           HE1      TRP  24  29.748 -20.165   3.048
  204    HE3  TRP  24           HE3      TRP  24  28.841 -15.067   4.183
  205    HZ2  TRP  24           HZ2      TRP  24  28.714 -19.799   5.685
  206    HZ3  TRP  24           HZ3      TRP  24  28.030 -15.631   6.461
  207    HH2  TRP  24           HH2      TRP  24  27.967 -17.992   7.214
  208    H    LEU  25           HN       LEU  25  27.712 -14.973   1.877
  209    HA   LEU  25           HA       LEU  25  25.893 -16.493   2.940
  210    HB2  LEU  25           HB2      LEU  25  25.612 -13.798   1.750
  211    HB3  LEU  25           HB1      LEU  25  24.112 -14.621   2.178
  212    HG   LEU  25           HG       LEU  25  26.421 -14.536   4.110
  213   HD11  LEU  25          HD11      LEU  25  25.921 -12.200   3.435
  214   HD12  LEU  25          HD12      LEU  25  25.449 -12.511   5.105
  215   HD13  LEU  25          HD13      LEU  25  24.224 -12.461   3.838
  216   HD21  LEU  25          HD21      LEU  25  24.011 -15.847   4.158
  217   HD22  LEU  25          HD22      LEU  25  23.607 -14.351   4.999
  218   HD23  LEU  25          HD23      LEU  25  24.912 -15.376   5.598
  219    H    PHE  26           HN       PHE  26  25.238 -15.282  -0.362
  220    HA   PHE  26           HA       PHE  26  23.042 -17.104  -0.715
  221    HB2  PHE  26           HB2      PHE  26  24.476 -15.691  -2.951
  222    HB3  PHE  26           HB1      PHE  26  22.766 -16.105  -2.824
  223    HD1  PHE  26           HD2      PHE  26  21.773 -15.165  -0.393
  224    HD2  PHE  26           HD1      PHE  26  24.867 -13.397  -2.794
  225    HE1  PHE  26           HE2      PHE  26  21.303 -12.955   0.626
  226    HE2  PHE  26           HE1      PHE  26  24.395 -11.190  -1.773
  227    HZ   PHE  26           HZ       PHE  26  22.620 -10.969  -0.061
  228    H    LYS  27           HN       LYS  27  26.104 -16.796  -2.520
  229    HA   LYS  27           HA       LYS  27  26.000 -19.146  -3.933
  230    HB2  LYS  27           HB2      LYS  27  28.564 -18.112  -2.724
  231    HB3  LYS  27           HB1      LYS  27  28.347 -18.957  -4.255
  232    HG2  LYS  27           HG2      LYS  27  27.402 -16.159  -3.569
  233    HG3  LYS  27           HG1      LYS  27  28.630 -16.607  -4.750
  234    HD2  LYS  27           HD2      LYS  27  26.725 -18.006  -5.847
  235    HD3  LYS  27           HD1      LYS  27  25.648 -16.983  -4.894
  236    HE2  LYS  27           HE2      LYS  27  27.285 -15.089  -5.932
  237    HE3  LYS  27           HE1      LYS  27  27.344 -16.285  -7.228
  238    HZ1  LYS  27           HZ1      LYS  27  25.410 -14.459  -6.954
  239    HZ2  LYS  27           HZ2      LYS  27  24.709 -15.780  -6.146
  240    HZ3  LYS  27           HZ3      LYS  27  25.211 -15.937  -7.761
  241    H    TYR  28           HN       TYR  28  26.075 -18.929  -0.568
  242    HA   TYR  28           HA       TYR  28  27.129 -21.691  -0.334
  243    HB2  TYR  28           HB2      TYR  28  28.499 -20.807   1.209
  244    HB3  TYR  28           HB1      TYR  28  27.605 -19.292   1.252
  245    HD1  TYR  28           HD2      TYR  28  27.239 -22.871   2.306
  246    HD2  TYR  28           HD1      TYR  28  26.420 -18.749   3.189
  247    HE1  TYR  28           HE2      TYR  28  26.221 -23.535   4.469
  248    HE2  TYR  28           HE1      TYR  28  25.401 -19.411   5.348
  249    HH   TYR  28           HH       TYR  28  24.761 -22.742   6.132
  250    H    LEU  29           HN       LEU  29  24.754 -19.444   1.102
  251    HA   LEU  29           HA       LEU  29  23.240 -21.669   2.200
  252    HB2  LEU  29           HB2      LEU  29  23.599 -19.148   3.079
  253    HB3  LEU  29           HB1      LEU  29  22.090 -18.936   2.193
  254    HG   LEU  29           HG       LEU  29  22.602 -21.006   4.350
  255   HD11  LEU  29          HD11      LEU  29  20.769 -19.651   5.500
  256   HD12  LEU  29          HD12      LEU  29  21.042 -18.416   4.272
  257   HD13  LEU  29          HD13      LEU  29  22.341 -18.862   5.376
  258   HD21  LEU  29          HD21      LEU  29  20.331 -20.487   2.447
  259   HD22  LEU  29          HD22      LEU  29  19.990 -21.141   4.049
  260   HD23  LEU  29          HD23      LEU  29  21.035 -22.027   2.940
  261    H    GLN  30           HN       GLN  30  22.806 -19.176  -0.292
  262    HA   GLN  30           HA       GLN  30  20.204 -20.084  -1.071
  263    HB2  GLN  30           HB2      GLN  30  20.909 -17.780  -1.469
  264    HB3  GLN  30           HB1      GLN  30  22.206 -18.342  -2.521
  265    HG2  GLN  30           HG2      GLN  30  20.806 -18.765  -4.259
  266    HG3  GLN  30           HG1      GLN  30  19.519 -19.356  -3.208
  267   HE21  GLN  30          HE21      GLN  30  20.961 -16.201  -2.570
  268   HE22  GLN  30          HE22      GLN  30  19.624 -15.288  -3.081
  269    H    LYS  31           HN       LYS  31  23.371 -21.192  -1.662
  270    HA   LYS  31           HA       LYS  31  22.449 -22.787  -3.981
  271    HB2  LYS  31           HB2      LYS  31  25.067 -21.514  -3.319
  272    HB3  LYS  31           HB1      LYS  31  25.081 -23.039  -4.205
  273    HG2  LYS  31           HG2      LYS  31  25.039 -21.084  -5.736
  274    HG3  LYS  31           HG1      LYS  31  23.597 -22.086  -5.911
  275    HD2  LYS  31           HD2      LYS  31  22.215 -20.516  -4.933
  276    HD3  LYS  31           HD1      LYS  31  23.504 -19.850  -3.932
  277    HE2  LYS  31           HE2      LYS  31  24.520 -18.804  -5.916
  278    HE3  LYS  31           HE1      LYS  31  23.248 -19.483  -6.932
  279    HZ1  LYS  31           HZ1      LYS  31  22.896 -17.133  -6.211
  280    HZ2  LYS  31           HZ2      LYS  31  22.706 -17.705  -4.622
  281    HZ3  LYS  31           HZ3      LYS  31  21.622 -18.188  -5.838
  282    H    LYS  32           HN       LYS  32  21.562 -24.425  -2.653
  283    HA   LYS  32           HA       LYS  32  23.607 -26.188  -1.470
  284    HB2  LYS  32           HB2      LYS  32  21.672 -24.742   0.009
  285    HB3  LYS  32           HB1      LYS  32  21.154 -26.429  -0.001
  286    HG2  LYS  32           HG2      LYS  32  23.397 -27.125   0.755
  287    HG3  LYS  32           HG1      LYS  32  23.918 -25.441   0.768
  288    HD2  LYS  32           HD2      LYS  32  21.455 -26.155   2.306
  289    HD3  LYS  32           HD1      LYS  32  23.016 -26.615   2.982
  290    HE2  LYS  32           HE2      LYS  32  23.794 -24.303   2.855
  291    HE3  LYS  32           HE1      LYS  32  22.291 -23.814   2.076
  292    HZ1  LYS  32           HZ1      LYS  32  21.220 -23.774   4.014
  293    HZ2  LYS  32           HZ2      LYS  32  22.755 -23.790   4.741
  294    HZ3  LYS  32           HZ3      LYS  32  21.893 -25.240   4.537
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1  23.255  16.080   1.056
    2    H2   LYS   1           HT2      LYS   1  21.679  16.141   0.421
    3    H3   LYS   1           HT3      LYS   1  22.367  17.523   1.134
    4    HA   LYS   1           HA       LYS   1  22.630  17.998  -1.082
    5    HB2  LYS   1           HB2      LYS   1  24.798  18.111   0.082
    6    HB3  LYS   1           HB1      LYS   1  25.098  16.415  -0.300
    7    HG2  LYS   1           HG2      LYS   1  25.476  16.840  -2.541
    8    HG3  LYS   1           HG1      LYS   1  24.439  18.266  -2.554
    9    HD2  LYS   1           HD2      LYS   1  26.825  18.890  -2.751
   10    HD3  LYS   1           HD1      LYS   1  26.119  19.516  -1.259
   11    HE2  LYS   1           HE2      LYS   1  27.123  17.767   0.047
   12    HE3  LYS   1           HE1      LYS   1  27.618  16.889  -1.400
   13    HZ1  LYS   1           HZ1      LYS   1  29.338  18.289  -1.778
   14    HZ2  LYS   1           HZ2      LYS   1  29.247  18.487  -0.092
   15    HZ3  LYS   1           HZ3      LYS   1  28.547  19.640  -1.125
   16    H    LYS   2           HN       LYS   2  23.111  14.578  -0.386
   17    HA   LYS   2           HA       LYS   2  22.117  13.942  -3.080
   18    HB2  LYS   2           HB2      LYS   2  23.838  11.986  -2.993
   19    HB3  LYS   2           HB1      LYS   2  24.388  13.586  -3.486
   20    HG2  LYS   2           HG2      LYS   2  25.578  13.926  -1.552
   21    HG3  LYS   2           HG1      LYS   2  24.446  12.995  -0.569
   22    HD2  LYS   2           HD2      LYS   2  25.371  10.926  -1.260
   23    HD3  LYS   2           HD1      LYS   2  26.219  11.666  -2.618
   24    HE2  LYS   2           HE2      LYS   2  26.819  12.256   0.294
   25    HE3  LYS   2           HE1      LYS   2  27.736  11.127  -0.701
   26    HZ1  LYS   2           HZ1      LYS   2  28.113  13.003  -2.266
   27    HZ2  LYS   2           HZ2      LYS   2  28.848  13.205  -0.749
   28    HZ3  LYS   2           HZ3      LYS   2  27.419  14.046  -1.122
   29    H    HIS   3           HN       HIS   3  22.788  12.914   0.224
   30    HA   HIS   3           HA       HIS   3  20.323  11.457   0.378
   31    HB2  HIS   3           HB2      HIS   3  21.816   9.848  -0.864
   32    HB3  HIS   3           HB1      HIS   3  22.857   9.814   0.561
   33    HD2  HIS   3           HD2      HIS   3  21.934   7.010   0.784
   34    HE1  HIS   3           HE1      HIS   3  18.176   8.134   2.339
   35    HE2  HIS   3           HE2      HIS   3  19.761   6.187   1.976
   36    H    THR   4           HN       THR   4  22.209   9.710   2.308
   37    HA   THR   4           HA       THR   4  22.110  11.659   4.536
   38    HB   THR   4           HB       THR   4  20.402  10.003   4.905
   39    HG1  THR   4           HG1      THR   4  21.580  10.482   6.735
   40   HG21  THR   4          HG21      THR   4  21.900   7.587   5.128
   41   HG22  THR   4          HG22      THR   4  22.259   8.294   3.552
   42   HG23  THR   4          HG23      THR   4  20.591   7.954   4.008
   43    H    ILE   5           HN       ILE   5  23.266   8.741   5.566
   44    HA   ILE   5           HA       ILE   5  26.066   9.635   5.278
   45    HB   ILE   5           HB       ILE   5  26.373   8.052   7.294
   46   HG12  ILE   5          HG12      ILE   5  23.590   8.649   8.067
   47   HG13  ILE   5          HG11      ILE   5  23.742   7.452   6.781
   48   HG21  ILE   5          HG21      ILE   5  26.674  10.268   7.860
   49   HG22  ILE   5          HG22      ILE   5  25.197   9.945   8.768
   50   HG23  ILE   5          HG23      ILE   5  25.111  10.757   7.205
   51   HD11  ILE   5          HD11      ILE   5  25.083   6.025   8.113
   52   HD12  ILE   5          HD12      ILE   5  23.800   6.568   9.195
   53   HD13  ILE   5          HD13      ILE   5  25.404   7.295   9.293
   54    H    TRP   6           HN       TRP   6  23.801   7.127   4.603
   55    HA   TRP   6           HA       TRP   6  25.271   4.832   4.399
   56    HB2  TRP   6           HB2      TRP   6  22.889   5.886   3.168
   57    HB3  TRP   6           HB1      TRP   6  23.819   4.964   1.987
   58    HD1  TRP   6           HD1      TRP   6  22.634   2.701   1.925
   59    HE1  TRP   6           HE1      TRP   6  22.025   0.906   3.664
   60    HE3  TRP   6           HE3      TRP   6  23.848   5.190   6.205
   61    HZ2  TRP   6           HZ2      TRP   6  22.051   0.572   6.500
   62    HZ3  TRP   6           HZ3      TRP   6  23.546   4.113   8.417
   63    HH2  TRP   6           HH2      TRP   6  22.651   1.806   8.571
   64    H    GLU   7           HN       GLU   7  24.984   7.254   1.787
   65    HA   GLU   7           HA       GLU   7  26.868   6.094   0.069
   66    HB2  GLU   7           HB2      GLU   7  25.392   8.570   0.259
   67    HB3  GLU   7           HB1      GLU   7  27.033   8.862  -0.321
   68    HG2  GLU   7           HG2      GLU   7  25.196   6.739  -1.457
   69    HG3  GLU   7           HG1      GLU   7  25.378   8.348  -2.149
   70    H    VAL   8           HN       VAL   8  27.392   7.362   3.104
   71    HA   VAL   8           HA       VAL   8  30.162   8.169   2.486
   72    HB   VAL   8           HB       VAL   8  28.767   8.586   5.124
   73   HG11  VAL   8          HG11      VAL   8  30.495  10.118   5.539
   74   HG12  VAL   8          HG12      VAL   8  30.882  10.291   3.827
   75   HG13  VAL   8          HG13      VAL   8  31.327   8.817   4.688
   76   HG21  VAL   8          HG21      VAL   8  28.193  10.850   4.304
   77   HG22  VAL   8          HG22      VAL   8  27.384   9.611   3.346
   78   HG23  VAL   8          HG23      VAL   8  28.812  10.427   2.708
   79    H    ILE   9           HN       ILE   9  28.208   6.003   4.479
   80    HA   ILE   9           HA       ILE   9  30.671   4.591   5.276
   81    HB   ILE   9           HB       ILE   9  29.767   5.225   7.289
   82   HG12  ILE   9          HG12      ILE   9  29.576   2.558   6.811
   83   HG13  ILE   9          HG11      ILE   9  29.204   3.298   8.355
   84   HG21  ILE   9          HG21      ILE   9  27.072   4.999   5.969
   85   HG22  ILE   9          HG22      ILE   9  27.892   6.442   6.559
   86   HG23  ILE   9          HG23      ILE   9  27.265   5.266   7.704
   87   HD11  ILE   9          HD11      ILE   9  27.076   2.939   6.241
   88   HD12  ILE   9          HD12      ILE   9  26.866   3.258   7.956
   89   HD13  ILE   9          HD13      ILE   9  27.449   1.685   7.417
   90    H    ALA  10           HN       ALA  10  27.294   4.156   4.266
   91    HA   ALA  10           HA       ALA  10  27.543   1.330   3.878
   92    HB1  ALA  10           HB1      ALA  10  25.387   1.482   2.784
   93    HB2  ALA  10           HB2      ALA  10  25.550   3.229   2.620
   94    HB3  ALA  10           HB3      ALA  10  25.369   2.505   4.219
   95    H    GLY  11           HN       GLY  11  27.024   3.887   1.428
   96    HA2  GLY  11           HA2      GLY  11  27.722   2.400  -0.806
   97    HA3  GLY  11           HA1      GLY  11  27.930   4.148  -0.681
   98    H    LEU  12           HN       LEU  12  29.622   3.345   1.815
   99    HA   LEU  12           HA       LEU  12  32.130   3.073   0.311
  100    HB2  LEU  12           HB2      LEU  12  31.718   5.048   1.885
  101    HB3  LEU  12           HB1      LEU  12  31.860   3.884   3.202
  102    HG   LEU  12           HG       LEU  12  34.060   3.211   1.803
  103   HD11  LEU  12          HD11      LEU  12  33.729   6.196   1.360
  104   HD12  LEU  12          HD12      LEU  12  33.608   4.970   0.096
  105   HD13  LEU  12          HD13      LEU  12  35.140   5.227   0.930
  106   HD21  LEU  12          HD21      LEU  12  33.747   5.474   3.800
  107   HD22  LEU  12          HD22      LEU  12  35.302   4.772   3.352
  108   HD23  LEU  12          HD23      LEU  12  34.087   3.781   4.159
  109    H    VAL  13           HN       VAL  13  30.103   1.555   2.704
  110    HA   VAL  13           HA       VAL  13  32.139  -0.566   3.072
  111    HB   VAL  13           HB       VAL  13  29.862   0.207   4.913
  112   HG11  VAL  13          HG11      VAL  13  31.529  -2.178   4.663
  113   HG12  VAL  13          HG12      VAL  13  30.095  -1.913   5.656
  114   HG13  VAL  13          HG13      VAL  13  31.681  -1.424   6.251
  115   HG21  VAL  13          HG21      VAL  13  32.069   1.647   4.661
  116   HG22  VAL  13          HG22      VAL  13  32.785   0.332   5.592
  117   HG23  VAL  13          HG23      VAL  13  31.446   1.260   6.266
  118    H    ALA  14           HN       ALA  14  28.596  -0.088   3.019
  119    HA   ALA  14           HA       ALA  14  27.732  -2.663   2.742
  120    HB1  ALA  14           HB1      ALA  14  26.160  -0.819   2.804
  121    HB2  ALA  14           HB2      ALA  14  25.875  -1.754   1.337
  122    HB3  ALA  14           HB3      ALA  14  26.743  -0.221   1.252
  123    H    LEU  15           HN       LEU  15  28.883  -0.556   0.104
  124    HA   LEU  15           HA       LEU  15  28.621  -2.504  -1.931
  125    HB2  LEU  15           HB2      LEU  15  28.890  -0.073  -2.375
  126    HB3  LEU  15           HB1      LEU  15  30.550  -0.167  -1.791
  127    HG   LEU  15           HG       LEU  15  31.073  -1.819  -3.567
  128   HD11  LEU  15          HD11      LEU  15  28.137  -1.517  -4.053
  129   HD12  LEU  15          HD12      LEU  15  29.152  -2.955  -4.171
  130   HD13  LEU  15          HD13      LEU  15  29.183  -1.746  -5.454
  131   HD21  LEU  15          HD21      LEU  15  31.279   0.695  -3.893
  132   HD22  LEU  15          HD22      LEU  15  29.738   0.630  -4.750
  133   HD23  LEU  15          HD23      LEU  15  31.135  -0.244  -5.380
  134    H    LEU  16           HN       LEU  16  31.076  -1.822   0.449
  135    HA   LEU  16           HA       LEU  16  32.917  -3.769  -0.736
  136    HB2  LEU  16           HB2      LEU  16  33.361  -2.170   1.780
  137    HB3  LEU  16           HB1      LEU  16  34.569  -2.908   0.726
  138    HG   LEU  16           HG       LEU  16  32.768  -0.566   0.056
  139   HD11  LEU  16          HD11      LEU  16  34.922  -0.310   1.488
  140   HD12  LEU  16          HD12      LEU  16  34.726   0.748   0.091
  141   HD13  LEU  16          HD13      LEU  16  35.781  -0.662  -0.012
  142   HD21  LEU  16          HD21      LEU  16  34.575  -2.293  -1.632
  143   HD22  LEU  16          HD22      LEU  16  34.256  -0.614  -2.073
  144   HD23  LEU  16          HD23      LEU  16  32.925  -1.767  -1.968
  145    H    THR  17           HN       THR  17  30.256  -4.015   1.036
  146    HA   THR  17           HA       THR  17  31.313  -6.253   2.649
  147    HB   THR  17           HB       THR  17  29.455  -4.049   3.431
  148    HG1  THR  17           HG1      THR  17  30.732  -4.867   5.453
  149   HG21  THR  17          HG21      THR  17  29.319  -6.923   4.326
  150   HG22  THR  17          HG22      THR  17  27.995  -5.854   3.862
  151   HG23  THR  17          HG23      THR  17  28.830  -5.610   5.396
  152    H    PHE  18           HN       PHE  18  28.221  -4.890   1.504
  153    HA   PHE  18           HA       PHE  18  26.603  -7.060   1.515
  154    HB2  PHE  18           HB2      PHE  18  26.260  -4.649   0.518
  155    HB3  PHE  18           HB1      PHE  18  26.665  -5.441  -1.005
  156    HD1  PHE  18           HD1      PHE  18  24.454  -5.803   1.996
  157    HD2  PHE  18           HD2      PHE  18  25.012  -6.621  -2.185
  158    HE1  PHE  18           HE1      PHE  18  22.155  -6.727   1.868
  159    HE2  PHE  18           HE2      PHE  18  22.714  -7.545  -2.310
  160    HZ   PHE  18           HZ       PHE  18  21.285  -7.597  -0.284
  161    H    LEU  19           HN       LEU  19  28.923  -6.295  -1.085
  162    HA   LEU  19           HA       LEU  19  28.402  -8.710  -2.539
  163    HB2  LEU  19           HB2      LEU  19  30.508  -6.565  -2.675
  164    HB3  LEU  19           HB1      LEU  19  30.670  -8.032  -3.635
  165    HG   LEU  19           HG       LEU  19  29.520  -6.122  -4.830
  166   HD11  LEU  19          HD11      LEU  19  28.881  -8.853  -4.822
  167   HD12  LEU  19          HD12      LEU  19  28.447  -7.678  -6.061
  168   HD13  LEU  19          HD13      LEU  19  27.325  -8.030  -4.750
  169   HD21  LEU  19          HD21      LEU  19  27.339  -5.428  -4.159
  170   HD22  LEU  19          HD22      LEU  19  28.318  -5.401  -2.692
  171   HD23  LEU  19          HD23      LEU  19  27.206  -6.737  -2.987
  172    H    ALA  20           HN       ALA  20  31.100  -7.635  -0.466
  173    HA   ALA  20           HA       ALA  20  32.744  -9.825  -0.589
  174    HB1  ALA  20           HB1      ALA  20  32.486  -9.013   2.168
  175    HB2  ALA  20           HB2      ALA  20  32.463  -7.602   1.111
  176    HB3  ALA  20           HB3      ALA  20  33.816  -8.731   1.045
  177    H    PHE  21           HN       PHE  21  30.048  -9.413   1.723
  178    HA   PHE  21           HA       PHE  21  30.235 -12.170   2.575
  179    HB2  PHE  21           HB2      PHE  21  28.297  -9.939   3.211
  180    HB3  PHE  21           HB1      PHE  21  28.164 -11.562   3.890
  181    HD1  PHE  21           HD2      PHE  21  30.571  -8.725   3.490
  182    HD2  PHE  21           HD1      PHE  21  29.400 -12.153   5.799
  183    HE1  PHE  21           HE2      PHE  21  32.270  -8.151   5.204
  184    HE2  PHE  21           HE1      PHE  21  31.098 -11.579   7.513
  185    HZ   PHE  21           HZ       PHE  21  32.533  -9.578   7.215
  186    H    GLY  22           HN       GLY  22  28.147 -10.224   0.499
  187    HA2  GLY  22           HA2      GLY  22  26.050 -12.012   0.080
  188    HA3  GLY  22           HA1      GLY  22  26.606 -10.831  -1.100
  189    H    PHE  23           HN       PHE  23  29.151 -11.736  -1.644
  190    HA   PHE  23           HA       PHE  23  28.730 -13.672  -3.590
  191    HB2  PHE  23           HB2      PHE  23  31.013 -12.292  -2.457
  192    HB3  PHE  23           HB1      PHE  23  31.410 -13.964  -2.843
  193    HD1  PHE  23           HD1      PHE  23  30.298 -14.796  -5.164
  194    HD2  PHE  23           HD2      PHE  23  31.294 -10.736  -4.176
  195    HE1  PHE  23           HE1      PHE  23  30.385 -14.231  -7.576
  196    HE2  PHE  23           HE2      PHE  23  31.381 -10.170  -6.587
  197    HZ   PHE  23           HZ       PHE  23  30.925 -11.919  -8.288
  198    H    TRP  24           HN       TRP  24  28.951 -14.026  -0.221
  199    HA   TRP  24           HA       TRP  24  29.516 -16.908  -0.451
  200    HB2  TRP  24           HB2      TRP  24  31.023 -15.876   1.094
  201    HB3  TRP  24           HB1      TRP  24  29.706 -15.010   1.890
  202    HD1  TRP  24           HD1      TRP  24  30.388 -18.714   1.014
  203    HE1  TRP  24           HE1      TRP  24  29.760 -20.154   3.062
  204    HE3  TRP  24           HE3      TRP  24  28.854 -15.058   4.208
  205    HZ2  TRP  24           HZ2      TRP  24  28.740 -19.793   5.706
  206    HZ3  TRP  24           HZ3      TRP  24  28.056 -15.626   6.488
  207    HH2  TRP  24           HH2      TRP  24  27.997 -17.987   7.239
  208    H    LEU  25           HN       LEU  25  27.714 -14.967   1.901
  209    HA   LEU  25           HA       LEU  25  25.897 -16.497   2.960
  210    HB2  LEU  25           HB2      LEU  25  25.622 -13.792   1.793
  211    HB3  LEU  25           HB1      LEU  25  24.117 -14.615   2.213
  212    HG   LEU  25           HG       LEU  25  26.425 -14.555   4.148
  213   HD11  LEU  25          HD11      LEU  25  25.454 -12.535   5.159
  214   HD12  LEU  25          HD12      LEU  25  24.242 -12.466   3.880
  215   HD13  LEU  25          HD13      LEU  25  25.945 -12.212   3.497
  216   HD21  LEU  25          HD21      LEU  25  24.909 -15.398   5.628
  217   HD22  LEU  25          HD22      LEU  25  24.014 -15.857   4.181
  218   HD23  LEU  25          HD23      LEU  25  23.610 -14.366   5.032
  219    H    PHE  26           HN       PHE  26  25.237 -15.261  -0.333
  220    HA   PHE  26           HA       PHE  26  23.042 -17.085  -0.698
  221    HB2  PHE  26           HB2      PHE  26  24.471 -15.659  -2.927
  222    HB3  PHE  26           HB1      PHE  26  22.762 -16.071  -2.798
  223    HD1  PHE  26           HD1      PHE  26  21.790 -15.144  -0.345
  224    HD2  PHE  26           HD2      PHE  26  24.853 -13.362  -2.776
  225    HE1  PHE  26           HE1      PHE  26  21.325 -12.939   0.683
  226    HE2  PHE  26           HE2      PHE  26  24.386 -11.157  -1.746
  227    HZ   PHE  26           HZ       PHE  26  22.627 -10.948  -0.013
  228    H    LYS  27           HN       LYS  27  26.101 -16.761  -2.506
  229    HA   LYS  27           HA       LYS  27  26.011 -19.095  -3.936
  230    HB2  LYS  27           HB2      LYS  27  28.563 -18.088  -2.682
  231    HB3  LYS  27           HB1      LYS  27  28.364 -18.919  -4.223
  232    HG2  LYS  27           HG2      LYS  27  27.420 -16.122  -3.527
  233    HG3  LYS  27           HG1      LYS  27  28.670 -16.564  -4.688
  234    HD2  LYS  27           HD2      LYS  27  26.799 -17.934  -5.855
  235    HD3  LYS  27           HD1      LYS  27  25.689 -16.960  -4.890
  236    HE2  LYS  27           HE2      LYS  27  27.818 -15.835  -6.740
  237    HE3  LYS  27           HE1      LYS  27  26.103 -15.961  -7.132
  238    HZ1  LYS  27           HZ1      LYS  27  26.155 -13.865  -6.301
  239    HZ2  LYS  27           HZ2      LYS  27  27.457 -14.175  -5.254
  240    HZ3  LYS  27           HZ3      LYS  27  25.894 -14.704  -4.849
  241    H    TYR  28           HN       TYR  28  26.116 -18.889  -0.552
  242    HA   TYR  28           HA       TYR  28  27.132 -21.665  -0.340
  243    HB2  TYR  28           HB2      TYR  28  28.501 -20.798   1.214
  244    HB3  TYR  28           HB1      TYR  28  27.610 -19.281   1.269
  245    HD1  TYR  28           HD1      TYR  28  27.235 -22.870   2.286
  246    HD2  TYR  28           HD2      TYR  28  26.418 -18.755   3.206
  247    HE1  TYR  28           HE1      TYR  28  26.205 -23.553   4.440
  248    HE2  TYR  28           HE2      TYR  28  25.390 -19.435   5.354
  249    HH   TYR  28           HH       TYR  28  25.553 -22.752   6.500
  250    H    LEU  29           HN       LEU  29  24.757 -19.424   1.107
  251    HA   LEU  29           HA       LEU  29  23.241 -21.658   2.186
  252    HB2  LEU  29           HB2      LEU  29  23.600 -19.145   3.088
  253    HB3  LEU  29           HB1      LEU  29  22.092 -18.923   2.198
  254    HG   LEU  29           HG       LEU  29  22.598 -21.011   4.339
  255   HD11  LEU  29          HD11      LEU  29  20.784 -19.673   5.513
  256   HD12  LEU  29          HD12      LEU  29  21.012 -18.433   4.279
  257   HD13  LEU  29          HD13      LEU  29  22.339 -18.856   5.364
  258   HD21  LEU  29          HD21      LEU  29  20.327 -20.476   2.441
  259   HD22  LEU  29          HD22      LEU  29  19.991 -21.151   4.035
  260   HD23  LEU  29          HD23      LEU  29  21.038 -22.018   2.912
  261    H    GLN  30           HN       GLN  30  22.846 -19.185  -0.321
  262    HA   GLN  30           HA       GLN  30  20.229 -20.084  -1.090
  263    HB2  GLN  30           HB2      GLN  30  20.925 -17.772  -1.456
  264    HB3  GLN  30           HB1      GLN  30  22.219 -18.314  -2.521
  265    HG2  GLN  30           HG2      GLN  30  20.815 -18.713  -4.260
  266    HG3  GLN  30           HG1      GLN  30  19.534 -19.326  -3.215
  267   HE21  GLN  30          HE21      GLN  30  20.966 -16.177  -2.529
  268   HE22  GLN  30          HE22      GLN  30  19.626 -15.260  -3.021
  269    H    LYS  31           HN       LYS  31  23.374 -21.222  -1.648
  270    HA   LYS  31           HA       LYS  31  22.460 -22.799  -3.980
  271    HB2  LYS  31           HB2      LYS  31  25.065 -21.469  -3.375
  272    HB3  LYS  31           HB1      LYS  31  25.094 -22.994  -4.257
  273    HG2  LYS  31           HG2      LYS  31  24.989 -21.078  -5.808
  274    HG3  LYS  31           HG1      LYS  31  23.535 -22.069  -5.928
  275    HD2  LYS  31           HD2      LYS  31  22.193 -20.456  -5.004
  276    HD3  LYS  31           HD1      LYS  31  23.468 -19.851  -3.945
  277    HE2  LYS  31           HE2      LYS  31  24.566 -18.773  -5.866
  278    HE3  LYS  31           HE1      LYS  31  23.316 -19.397  -6.941
  279    HZ1  LYS  31           HZ1      LYS  31  22.662 -17.724  -4.591
  280    HZ2  LYS  31           HZ2      LYS  31  21.695 -18.065  -5.946
  281    HZ3  LYS  31           HZ3      LYS  31  23.041 -17.038  -6.095
  282    H    LYS  32           HN       LYS  32  21.587 -24.141  -2.118
  283    HA   LYS  32           HA       LYS  32  23.505 -26.265  -1.583
  284    HB2  LYS  32           HB2      LYS  32  22.995 -26.310   0.839
  285    HB3  LYS  32           HB1      LYS  32  23.815 -24.824   0.364
  286    HG2  LYS  32           HG2      LYS  32  22.121 -23.763   1.431
  287    HG3  LYS  32           HG1      LYS  32  21.162 -24.162   0.006
  288    HD2  LYS  32           HD2      LYS  32  20.674 -26.403   1.173
  289    HD3  LYS  32           HD1      LYS  32  21.304 -25.642   2.634
  290    HE2  LYS  32           HE2      LYS  32  19.644 -23.851   2.452
  291    HE3  LYS  32           HE1      LYS  32  19.041 -24.537   0.943
  292    HZ1  LYS  32           HZ1      LYS  32  17.747 -25.890   2.095
  293    HZ2  LYS  32           HZ2      LYS  32  18.286 -25.188   3.546
  294    HZ3  LYS  32           HZ3      LYS  32  19.086 -26.544   2.906
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1  21.540  17.712  -3.980
    2    H2   LYS   1           HT2      LYS   1  19.977  17.673  -4.648
    3    H3   LYS   1           HT3      LYS   1  21.191  16.651  -5.255
    4    HA   LYS   1           HA       LYS   1  20.722  16.356  -2.427
    5    HB2  LYS   1           HB2      LYS   1  18.422  16.843  -3.508
    6    HB3  LYS   1           HB1      LYS   1  18.619  15.284  -4.309
    7    HG2  LYS   1           HG2      LYS   1  18.892  14.180  -2.130
    8    HG3  LYS   1           HG1      LYS   1  18.739  15.735  -1.312
    9    HD2  LYS   1           HD2      LYS   1  16.465  15.997  -2.266
   10    HD3  LYS   1           HD1      LYS   1  16.616  14.414  -3.029
   11    HE2  LYS   1           HE2      LYS   1  15.398  14.140  -0.950
   12    HE3  LYS   1           HE1      LYS   1  16.997  13.423  -0.753
   13    HZ1  LYS   1           HZ1      LYS   1  15.956  15.162   0.959
   14    HZ2  LYS   1           HZ2      LYS   1  16.764  16.239  -0.077
   15    HZ3  LYS   1           HZ3      LYS   1  17.625  15.000   0.704
   16    H    LYS   2           HN       LYS   2  22.085  14.735  -2.035
   17    HA   LYS   2           HA       LYS   2  22.624  12.768  -4.161
   18    HB2  LYS   2           HB2      LYS   2  24.563  13.983  -3.199
   19    HB3  LYS   2           HB1      LYS   2  24.167  13.317  -1.615
   20    HG2  LYS   2           HG2      LYS   2  24.227  11.177  -3.530
   21    HG3  LYS   2           HG1      LYS   2  25.719  12.107  -3.665
   22    HD2  LYS   2           HD2      LYS   2  24.587  11.077  -1.049
   23    HD3  LYS   2           HD1      LYS   2  25.858  10.270  -1.967
   24    HE2  LYS   2           HE2      LYS   2  26.538  13.047  -1.670
   25    HE3  LYS   2           HE1      LYS   2  26.153  12.376  -0.085
   26    HZ1  LYS   2           HZ1      LYS   2  27.663  10.479  -1.445
   27    HZ2  LYS   2           HZ2      LYS   2  28.118  11.394  -0.088
   28    HZ3  LYS   2           HZ3      LYS   2  28.452  11.966  -1.653
   29    H    HIS   3           HN       HIS   3  22.845  12.498  -0.627
   30    HA   HIS   3           HA       HIS   3  20.635  10.737  -0.326
   31    HB2  HIS   3           HB2      HIS   3  22.337   9.329  -1.641
   32    HB3  HIS   3           HB1      HIS   3  23.297   9.330  -0.163
   33    HD2  HIS   3           HD2      HIS   3  22.728   6.583   0.365
   34    HE1  HIS   3           HE1      HIS   3  18.586   7.123   0.971
   35    HE2  HIS   3           HE2      HIS   3  20.510   5.480   1.189
   36    H    THR   4           HN       THR   4  21.322   9.251   1.822
   37    HA   THR   4           HA       THR   4  21.634  11.250   3.876
   38    HB   THR   4           HB       THR   4  20.070   9.519   4.344
   39    HG1  THR   4           HG1      THR   4  22.274   9.841   5.808
   40   HG21  THR   4          HG21      THR   4  22.102   7.865   3.049
   41   HG22  THR   4          HG22      THR   4  20.369   7.586   3.215
   42   HG23  THR   4          HG23      THR   4  21.465   7.124   4.517
   43    H    ILE   5           HN       ILE   5  23.030   8.340   4.831
   44    HA   ILE   5           HA       ILE   5  25.760   9.446   4.559
   45    HB   ILE   5           HB       ILE   5  26.165   8.095   6.723
   46   HG12  ILE   5          HG12      ILE   5  23.373   8.615   7.493
   47   HG13  ILE   5          HG11      ILE   5  23.549   7.326   6.304
   48   HG21  ILE   5          HG21      ILE   5  25.352  10.009   8.098
   49   HG22  ILE   5          HG22      ILE   5  24.444  10.591   6.702
   50   HG23  ILE   5          HG23      ILE   5  26.205  10.537   6.646
   51   HD11  ILE   5          HD11      ILE   5  25.212   7.472   8.824
   52   HD12  ILE   5          HD12      ILE   5  25.060   6.113   7.714
   53   HD13  ILE   5          HD13      ILE   5  23.694   6.579   8.727
   54    H    TRP   6           HN       TRP   6  23.636   6.718   4.288
   55    HA   TRP   6           HA       TRP   6  25.239   4.519   4.246
   56    HB2  TRP   6           HB2      TRP   6  22.771   5.305   2.967
   57    HB3  TRP   6           HB1      TRP   6  23.729   4.298   1.881
   58    HD1  TRP   6           HD1      TRP   6  22.661   1.987   2.114
   59    HE1  TRP   6           HE1      TRP   6  22.180   0.382   4.067
   60    HE3  TRP   6           HE3      TRP   6  23.827   5.022   6.042
   61    HZ2  TRP   6           HZ2      TRP   6  22.277   0.387   6.919
   62    HZ3  TRP   6           HZ3      TRP   6  23.624   4.199   8.371
   63    HH2  TRP   6           HH2      TRP   6  22.852   1.885   8.816
   64    H    GLU   7           HN       GLU   7  24.613   6.405   1.283
   65    HA   GLU   7           HA       GLU   7  26.540   5.294  -0.335
   66    HB2  GLU   7           HB2      GLU   7  25.152   7.898  -0.209
   67    HB3  GLU   7           HB1      GLU   7  26.620   7.853  -1.184
   68    HG2  GLU   7           HG2      GLU   7  24.498   5.729  -1.457
   69    HG3  GLU   7           HG1      GLU   7  24.389   7.245  -2.348
   70    H    VAL   8           HN       VAL   8  27.059   7.135   2.488
   71    HA   VAL   8           HA       VAL   8  29.778   7.882   1.675
   72    HB   VAL   8           HB       VAL   8  28.525   8.543   4.331
   73   HG11  VAL   8          HG11      VAL   8  31.044   8.904   3.392
   74   HG12  VAL   8          HG12      VAL   8  30.273   9.995   4.545
   75   HG13  VAL   8          HG13      VAL   8  30.284  10.393   2.826
   76   HG21  VAL   8          HG21      VAL   8  27.735  10.649   3.299
   77   HG22  VAL   8          HG22      VAL   8  26.948   9.255   2.558
   78   HG23  VAL   8          HG23      VAL   8  28.266  10.073   1.718
   79    H    ILE   9           HN       ILE   9  28.053   5.918   4.070
   80    HA   ILE   9           HA       ILE   9  30.631   4.728   4.869
   81    HB   ILE   9           HB       ILE   9  29.764   5.557   6.833
   82   HG12  ILE   9          HG12      ILE   9  29.772   2.844   6.684
   83   HG13  ILE   9          HG11      ILE   9  29.415   3.738   8.147
   84   HG21  ILE   9          HG21      ILE   9  27.287   5.458   7.372
   85   HG22  ILE   9          HG22      ILE   9  27.040   4.962   5.695
   86   HG23  ILE   9          HG23      ILE   9  27.764   6.527   6.059
   87   HD11  ILE   9          HD11      ILE   9  27.752   1.895   7.511
   88   HD12  ILE   9          HD12      ILE   9  27.226   2.958   6.214
   89   HD13  ILE   9          HD13      ILE   9  27.070   3.473   7.888
   90    H    ALA  10           HN       ALA  10  27.248   3.960   4.109
   91    HA   ALA  10           HA       ALA  10  27.660   1.135   4.047
   92    HB1  ALA  10           HB1      ALA  10  25.468   1.041   2.987
   93    HB2  ALA  10           HB2      ALA  10  25.523   2.775   2.664
   94    HB3  ALA  10           HB3      ALA  10  25.431   2.189   4.325
   95    H    GLY  11           HN       GLY  11  26.909   3.323   1.318
   96    HA2  GLY  11           HA2      GLY  11  27.629   1.608  -0.735
   97    HA3  GLY  11           HA1      GLY  11  27.735   3.365  -0.839
   98    H    LEU  12           HN       LEU  12  29.550   2.997   1.668
   99    HA   LEU  12           HA       LEU  12  32.016   2.679   0.110
  100    HB2  LEU  12           HB2      LEU  12  31.553   4.811   1.431
  101    HB3  LEU  12           HB1      LEU  12  31.777   3.838   2.886
  102    HG   LEU  12           HG       LEU  12  33.964   3.126   1.371
  103   HD11  LEU  12          HD11      LEU  12  33.597   6.120   1.073
  104   HD12  LEU  12          HD12      LEU  12  33.320   4.969  -0.235
  105   HD13  LEU  12          HD13      LEU  12  34.931   5.143   0.460
  106   HD21  LEU  12          HD21      LEU  12  33.952   3.668   3.771
  107   HD22  LEU  12          HD22      LEU  12  33.715   5.374   3.398
  108   HD23  LEU  12          HD23      LEU  12  35.221   4.574   2.948
  109    H    VAL  13           HN       VAL  13  30.160   1.332   2.725
  110    HA   VAL  13           HA       VAL  13  32.365  -0.551   3.332
  111    HB   VAL  13           HB       VAL  13  29.994   0.280   5.017
  112   HG11  VAL  13          HG11      VAL  13  31.997  -1.946   5.266
  113   HG12  VAL  13          HG12      VAL  13  30.261  -1.971   5.584
  114   HG13  VAL  13          HG13      VAL  13  31.355  -1.179   6.719
  115   HG21  VAL  13          HG21      VAL  13  32.928   0.490   5.693
  116   HG22  VAL  13          HG22      VAL  13  31.574   1.376   6.390
  117   HG23  VAL  13          HG23      VAL  13  32.126   1.754   4.760
  118    H    ALA  14           HN       ALA  14  28.800  -0.434   3.093
  119    HA   ALA  14           HA       ALA  14  28.196  -3.097   3.127
  120    HB1  ALA  14           HB1      ALA  14  26.196  -2.195   2.656
  121    HB2  ALA  14           HB2      ALA  14  26.695  -2.059   0.970
  122    HB3  ALA  14           HB3      ALA  14  26.958  -0.715   2.079
  123    H    LEU  15           HN       LEU  15  29.258  -1.245   0.272
  124    HA   LEU  15           HA       LEU  15  29.291  -3.421  -1.523
  125    HB2  LEU  15           HB2      LEU  15  31.069  -0.969  -1.558
  126    HB3  LEU  15           HB1      LEU  15  30.679  -2.006  -2.933
  127    HG   LEU  15           HG       LEU  15  28.676  -0.397  -1.330
  128   HD11  LEU  15          HD11      LEU  15  28.770   1.241  -2.938
  129   HD12  LEU  15          HD12      LEU  15  29.168   0.101  -4.223
  130   HD13  LEU  15          HD13      LEU  15  30.422   0.646  -3.108
  131   HD21  LEU  15          HD21      LEU  15  27.410  -2.165  -2.148
  132   HD22  LEU  15          HD22      LEU  15  28.458  -2.401  -3.549
  133   HD23  LEU  15          HD23      LEU  15  27.323  -1.053  -3.515
  134    H    LEU  16           HN       LEU  16  31.526  -2.275   0.877
  135    HA   LEU  16           HA       LEU  16  33.574  -4.204   0.053
  136    HB2  LEU  16           HB2      LEU  16  33.733  -2.261   2.349
  137    HB3  LEU  16           HB1      LEU  16  35.060  -3.035   1.480
  138    HG   LEU  16           HG       LEU  16  33.143  -0.965   0.379
  139   HD11  LEU  16          HD11      LEU  16  35.115  -0.287   1.895
  140   HD12  LEU  16          HD12      LEU  16  35.017   0.495   0.318
  141   HD13  LEU  16          HD13      LEU  16  36.156  -0.826   0.578
  142   HD21  LEU  16          HD21      LEU  16  35.196  -2.743  -0.923
  143   HD22  LEU  16          HD22      LEU  16  34.804  -1.169  -1.613
  144   HD23  LEU  16          HD23      LEU  16  33.548  -2.395  -1.443
  145    H    THR  17           HN       THR  17  30.830  -4.415   1.697
  146    HA   THR  17           HA       THR  17  31.874  -6.511   3.469
  147    HB   THR  17           HB       THR  17  30.098  -4.221   4.322
  148    HG1  THR  17           HG1      THR  17  32.025  -4.895   6.015
  149   HG21  THR  17          HG21      THR  17  29.022  -6.092   5.271
  150   HG22  THR  17          HG22      THR  17  30.125  -5.557   6.539
  151   HG23  THR  17          HG23      THR  17  30.544  -6.944   5.532
  152    H    PHE  18           HN       PHE  18  28.696  -4.968   3.036
  153    HA   PHE  18           HA       PHE  18  27.115  -7.200   3.151
  154    HB2  PHE  18           HB2      PHE  18  26.504  -4.682   2.806
  155    HB3  PHE  18           HB1      PHE  18  26.507  -5.101   1.095
  156    HD1  PHE  18           HD2      PHE  18  25.244  -6.451   4.361
  157    HD2  PHE  18           HD1      PHE  18  24.510  -5.888   0.165
  158    HE1  PHE  18           HE2      PHE  18  22.997  -7.468   4.616
  159    HE2  PHE  18           HE1      PHE  18  22.262  -6.904   0.422
  160    HZ   PHE  18           HZ       PHE  18  21.506  -7.694   2.648
  161    H    LEU  19           HN       LEU  19  28.632  -5.854   0.221
  162    HA   LEU  19           HA       LEU  19  27.706  -7.970  -1.479
  163    HB2  LEU  19           HB2      LEU  19  29.670  -5.716  -1.757
  164    HB3  LEU  19           HB1      LEU  19  29.598  -6.972  -2.987
  165    HG   LEU  19           HG       LEU  19  28.136  -4.956  -3.449
  166   HD11  LEU  19          HD11      LEU  19  27.575  -7.697  -3.794
  167   HD12  LEU  19          HD12      LEU  19  26.854  -6.349  -4.670
  168   HD13  LEU  19          HD13      LEU  19  26.071  -6.979  -3.222
  169   HD21  LEU  19          HD21      LEU  19  26.359  -6.072  -1.278
  170   HD22  LEU  19          HD22      LEU  19  26.219  -4.531  -2.123
  171   HD23  LEU  19          HD23      LEU  19  27.515  -4.783  -0.959
  172    H    ALA  20           HN       ALA  20  30.891  -7.153  -0.097
  173    HA   ALA  20           HA       ALA  20  32.445  -9.165  -1.081
  174    HB1  ALA  20           HB1      ALA  20  33.176  -9.098   1.605
  175    HB2  ALA  20           HB2      ALA  20  32.463  -7.512   1.314
  176    HB3  ALA  20           HB3      ALA  20  33.813  -8.066   0.324
  177    H    PHE  21           HN       PHE  21  30.484  -9.418   1.896
  178    HA   PHE  21           HA       PHE  21  30.909 -12.278   2.025
  179    HB2  PHE  21           HB2      PHE  21  29.258 -10.364   3.680
  180    HB3  PHE  21           HB1      PHE  21  29.329 -12.100   3.986
  181    HD1  PHE  21           HD1      PHE  21  31.595  -9.163   3.425
  182    HD2  PHE  21           HD2      PHE  21  31.003 -12.935   5.393
  183    HE1  PHE  21           HE1      PHE  21  33.729  -8.858   4.650
  184    HE2  PHE  21           HE2      PHE  21  33.135 -12.630   6.619
  185    HZ   PHE  21           HZ       PHE  21  34.498 -10.592   6.247
  186    H    GLY  22           HN       GLY  22  28.305 -10.062   1.140
  187    HA2  GLY  22           HA2      GLY  22  26.166 -11.835   0.961
  188    HA3  GLY  22           HA1      GLY  22  26.365 -10.409  -0.054
  189    H    PHE  23           HN       PHE  23  28.608 -11.033  -1.500
  190    HA   PHE  23           HA       PHE  23  27.633 -12.550  -3.606
  191    HB2  PHE  23           HB2      PHE  23  30.167 -11.329  -2.882
  192    HB3  PHE  23           HB1      PHE  23  30.405 -12.850  -3.743
  193    HD1  PHE  23           HD1      PHE  23  28.659 -13.189  -5.778
  194    HD2  PHE  23           HD2      PHE  23  29.956  -9.410  -4.196
  195    HE1  PHE  23           HE1      PHE  23  28.055 -12.084  -7.915
  196    HE2  PHE  23           HE2      PHE  23  29.352  -8.308  -6.331
  197    HZ   PHE  23           HZ       PHE  23  28.401  -9.645  -8.191
  198    H    TRP  24           HN       TRP  24  28.859 -13.582  -0.600
  199    HA   TRP  24           HA       TRP  24  29.288 -16.319  -1.598
  200    HB2  TRP  24           HB2      TRP  24  31.194 -15.551  -0.376
  201    HB3  TRP  24           HB1      TRP  24  30.182 -14.940   0.934
  202    HD1  TRP  24           HD1      TRP  24  30.539 -18.342  -0.869
  203    HE1  TRP  24           HE1      TRP  24  30.532 -20.205   0.919
  204    HE3  TRP  24           HE3      TRP  24  30.050 -15.511   3.334
  205    HZ2  TRP  24           HZ2      TRP  24  30.342 -20.451   3.758
  206    HZ3  TRP  24           HZ3      TRP  24  29.957 -16.578   5.574
  207    HH2  TRP  24           HH2      TRP  24  30.102 -19.043   5.789
  208    H    LEU  25           HN       LEU  25  28.280 -15.011   1.536
  209    HA   LEU  25           HA       LEU  25  26.850 -16.821   2.731
  210    HB2  LEU  25           HB2      LEU  25  26.249 -13.958   2.288
  211    HB3  LEU  25           HB1      LEU  25  24.938 -14.936   2.951
  212    HG   LEU  25           HG       LEU  25  27.721 -15.129   4.090
  213   HD11  LEU  25          HD11      LEU  25  27.073 -12.734   4.111
  214   HD12  LEU  25          HD12      LEU  25  27.110 -13.411   5.738
  215   HD13  LEU  25          HD13      LEU  25  25.567 -13.159   4.923
  216   HD21  LEU  25          HD21      LEU  25  25.300 -15.283   5.782
  217   HD22  LEU  25          HD22      LEU  25  26.714 -16.337   5.742
  218   HD23  LEU  25          HD23      LEU  25  25.424 -16.551   4.560
  219    H    PHE  26           HN       PHE  26  25.252 -14.988   0.107
  220    HA   PHE  26           HA       PHE  26  23.035 -16.818   0.029
  221    HB2  PHE  26           HB2      PHE  26  23.746 -14.891  -2.169
  222    HB3  PHE  26           HB1      PHE  26  22.150 -15.418  -1.637
  223    HD1  PHE  26           HD1      PHE  26  21.947 -15.063   1.126
  224    HD2  PHE  26           HD2      PHE  26  24.179 -12.659  -1.648
  225    HE1  PHE  26           HE1      PHE  26  21.825 -13.145   2.690
  226    HE2  PHE  26           HE2      PHE  26  24.056 -10.741  -0.083
  227    HZ   PHE  26           HZ       PHE  26  22.885 -10.986   2.086
  228    H    LYS  27           HN       LYS  27  25.412 -15.965  -2.489
  229    HA   LYS  27           HA       LYS  27  24.878 -17.971  -4.279
  230    HB2  LYS  27           HB2      LYS  27  27.695 -17.074  -3.674
  231    HB3  LYS  27           HB1      LYS  27  27.026 -17.592  -5.222
  232    HG2  LYS  27           HG2      LYS  27  26.356 -15.053  -3.703
  233    HG3  LYS  27           HG1      LYS  27  27.174 -15.179  -5.259
  234    HD2  LYS  27           HD2      LYS  27  25.017 -16.415  -6.030
  235    HD3  LYS  27           HD1      LYS  27  24.281 -15.680  -4.605
  236    HE2  LYS  27           HE2      LYS  27  25.552 -13.522  -5.637
  237    HE3  LYS  27           HE1      LYS  27  25.212 -14.412  -7.121
  238    HZ1  LYS  27           HZ1      LYS  27  23.039 -14.249  -5.201
  239    HZ2  LYS  27           HZ2      LYS  27  23.005 -14.128  -6.895
  240    HZ3  LYS  27           HZ3      LYS  27  23.465 -12.790  -5.954
  241    H    TYR  28           HN       TYR  28  25.983 -18.442  -1.118
  242    HA   TYR  28           HA       TYR  28  27.020 -21.135  -1.801
  243    HB2  TYR  28           HB2      TYR  28  28.795 -20.513  -0.574
  244    HB3  TYR  28           HB1      TYR  28  27.965 -19.096   0.059
  245    HD1  TYR  28           HD1      TYR  28  27.899 -22.834   0.364
  246    HD2  TYR  28           HD2      TYR  28  27.421 -19.044   2.327
  247    HE1  TYR  28           HE1      TYR  28  27.569 -23.997   2.531
  248    HE2  TYR  28           HE2      TYR  28  27.089 -20.203   4.491
  249    HH   TYR  28           HH       TYR  28  26.743 -23.683   4.675
  250    H    LEU  29           HN       LEU  29  25.199 -19.375   0.719
  251    HA   LEU  29           HA       LEU  29  24.065 -21.865   1.700
  252    HB2  LEU  29           HB2      LEU  29  24.692 -19.570   2.963
  253    HB3  LEU  29           HB1      LEU  29  22.990 -19.260   2.626
  254    HG   LEU  29           HG       LEU  29  24.102 -21.706   4.033
  255   HD11  LEU  29          HD11      LEU  29  22.612 -19.250   4.980
  256   HD12  LEU  29          HD12      LEU  29  24.177 -19.846   5.533
  257   HD13  LEU  29          HD13      LEU  29  22.704 -20.730   5.934
  258   HD21  LEU  29          HD21      LEU  29  21.371 -20.930   3.041
  259   HD22  LEU  29          HD22      LEU  29  21.521 -21.927   4.487
  260   HD23  LEU  29          HD23      LEU  29  22.181 -22.494   2.952
  261    H    GLN  30           HN       GLN  30  22.943 -18.953   0.017
  262    HA   GLN  30           HA       GLN  30  20.214 -19.830  -0.128
  263    HB2  GLN  30           HB2      GLN  30  20.784 -17.454  -0.194
  264    HB3  GLN  30           HB1      GLN  30  21.692 -17.698  -1.683
  265    HG2  GLN  30           HG2      GLN  30  19.826 -17.816  -2.969
  266    HG3  GLN  30           HG1      GLN  30  18.919 -18.707  -1.747
  267   HE21  GLN  30          HE21      GLN  30  20.504 -15.672  -0.884
  268   HE22  GLN  30          HE22      GLN  30  19.078 -14.763  -0.742
  269    H    LYS  31           HN       LYS  31  23.048 -20.636  -1.815
  270    HA   LYS  31           HA       LYS  31  21.470 -21.776  -4.046
  271    HB2  LYS  31           HB2      LYS  31  24.136 -20.429  -3.979
  272    HB3  LYS  31           HB1      LYS  31  23.894 -21.742  -5.131
  273    HG2  LYS  31           HG2      LYS  31  23.321 -19.564  -6.139
  274    HG3  LYS  31           HG1      LYS  31  21.901 -20.601  -6.026
  275    HD2  LYS  31           HD2      LYS  31  20.903 -19.297  -4.429
  276    HD3  LYS  31           HD1      LYS  31  22.439 -18.834  -3.694
  277    HE2  LYS  31           HE2      LYS  31  22.900 -17.322  -5.574
  278    HE3  LYS  31           HE1      LYS  31  21.389 -17.802  -6.345
  279    HZ1  LYS  31           HZ1      LYS  31  20.153 -16.892  -4.539
  280    HZ2  LYS  31           HZ2      LYS  31  21.243 -15.704  -5.070
  281    HZ3  LYS  31           HZ3      LYS  31  21.561 -16.577  -3.648
  282    H    LYS  32           HN       LYS  32  21.215 -23.507  -2.308
  283    HA   LYS  32           HA       LYS  32  23.188 -25.576  -2.844
  284    HB2  LYS  32           HB2      LYS  32  23.517 -26.110  -0.457
  285    HB3  LYS  32           HB1      LYS  32  24.124 -24.502  -0.854
  286    HG2  LYS  32           HG2      LYS  32  22.867 -23.787   0.890
  287    HG3  LYS  32           HG1      LYS  32  21.491 -23.997  -0.194
  288    HD2  LYS  32           HD2      LYS  32  21.414 -26.427   0.593
  289    HD3  LYS  32           HD1      LYS  32  22.549 -25.952   1.858
  290    HE2  LYS  32           HE2      LYS  32  20.608 -23.976   1.985
  291    HE3  LYS  32           HE1      LYS  32  19.674 -25.435   1.651
  292    HZ1  LYS  32           HZ1      LYS  32  21.371 -24.799   3.956
  293    HZ2  LYS  32           HZ2      LYS  32  21.219 -26.424   3.481
  294    HZ3  LYS  32           HZ3      LYS  32  19.840 -25.530   3.912
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1  23.738  16.680   0.905
    2    H2   LYS   1           HT2      LYS   1  23.808  17.072  -0.746
    3    H3   LYS   1           HT3      LYS   1  23.925  15.452  -0.249
    4    HA   LYS   1           HA       LYS   1  21.582  16.149   0.845
    5    HB2  LYS   1           HB2      LYS   1  22.163  18.256  -0.854
    6    HB3  LYS   1           HB1      LYS   1  21.134  17.221  -1.849
    7    HG2  LYS   1           HG2      LYS   1  19.545  17.112   0.146
    8    HG3  LYS   1           HG1      LYS   1  20.496  18.417   0.855
    9    HD2  LYS   1           HD2      LYS   1  20.040  19.848  -1.069
   10    HD3  LYS   1           HD1      LYS   1  19.176  18.537  -1.872
   11    HE2  LYS   1           HE2      LYS   1  18.159  19.004   0.819
   12    HE3  LYS   1           HE1      LYS   1  18.053  20.454  -0.179
   13    HZ1  LYS   1           HZ1      LYS   1  17.081  18.932  -1.933
   14    HZ2  LYS   1           HZ2      LYS   1  16.095  19.277  -0.593
   15    HZ3  LYS   1           HZ3      LYS   1  16.896  17.782  -0.699
   16    H    LYS   2           HN       LYS   2  23.581  14.729  -1.436
   17    HA   LYS   2           HA       LYS   2  21.993  13.430  -3.261
   18    HB2  LYS   2           HB2      LYS   2  23.684  11.436  -2.734
   19    HB3  LYS   2           HB1      LYS   2  24.206  12.900  -3.567
   20    HG2  LYS   2           HG2      LYS   2  25.285  13.750  -1.692
   21    HG3  LYS   2           HG1      LYS   2  24.273  12.838  -0.570
   22    HD2  LYS   2           HD2      LYS   2  25.377  10.745  -1.262
   23    HD3  LYS   2           HD1      LYS   2  26.388  11.650  -2.389
   24    HE2  LYS   2           HE2      LYS   2  27.040  13.058  -0.285
   25    HE3  LYS   2           HE1      LYS   2  26.435  11.670   0.619
   26    HZ1  LYS   2           HZ1      LYS   2  28.857  11.612   0.079
   27    HZ2  LYS   2           HZ2      LYS   2  28.435  11.447  -1.558
   28    HZ3  LYS   2           HZ3      LYS   2  27.984  10.252  -0.437
   29    H    HIS   3           HN       HIS   3  22.639  12.434   0.092
   30    HA   HIS   3           HA       HIS   3  20.051  11.179   0.291
   31    HB2  HIS   3           HB2      HIS   3  21.396   9.434  -0.889
   32    HB3  HIS   3           HB1      HIS   3  22.502   9.412   0.485
   33    HD2  HIS   3           HD2      HIS   3  21.492   6.679   0.923
   34    HE1  HIS   3           HE1      HIS   3  17.827   8.026   2.524
   35    HE2  HIS   3           HE2      HIS   3  19.334   6.005   2.229
   36    H    THR   4           HN       THR   4  21.983   9.424   2.251
   37    HA   THR   4           HA       THR   4  21.849  11.408   4.446
   38    HB   THR   4           HB       THR   4  20.187   9.717   4.856
   39    HG1  THR   4           HG1      THR   4  21.575   8.525   6.612
   40   HG21  THR   4          HG21      THR   4  20.420   7.656   4.000
   41   HG22  THR   4          HG22      THR   4  21.749   7.345   5.113
   42   HG23  THR   4          HG23      THR   4  22.074   8.032   3.520
   43    H    ILE   5           HN       ILE   5  23.086   8.534   5.513
   44    HA   ILE   5           HA       ILE   5  25.857   9.516   5.234
   45    HB   ILE   5           HB       ILE   5  26.201   7.939   7.246
   46   HG12  ILE   5          HG12      ILE   5  23.387   8.443   7.985
   47   HG13  ILE   5          HG11      ILE   5  23.605   7.240   6.712
   48   HG21  ILE   5          HG21      ILE   5  24.911  10.614   7.116
   49   HG22  ILE   5          HG22      ILE   5  26.425  10.130   7.881
   50   HG23  ILE   5          HG23      ILE   5  24.888   9.807   8.685
   51   HD11  ILE   5          HD11      ILE   5  23.659   6.393   9.144
   52   HD12  ILE   5          HD12      ILE   5  25.241   7.168   9.242
   53   HD13  ILE   5          HD13      ILE   5  24.966   5.873   8.079
   54    H    TRP   6           HN       TRP   6  23.692   6.927   4.525
   55    HA   TRP   6           HA       TRP   6  25.233   4.684   4.337
   56    HB2  TRP   6           HB2      TRP   6  22.861   5.684   3.038
   57    HB3  TRP   6           HB1      TRP   6  23.850   4.794   1.883
   58    HD1  TRP   6           HD1      TRP   6  22.714   2.508   1.774
   59    HE1  TRP   6           HE1      TRP   6  22.108   0.682   3.485
   60    HE3  TRP   6           HE3      TRP   6  23.765   4.989   6.103
   61    HZ2  TRP   6           HZ2      TRP   6  22.075   0.324   6.316
   62    HZ3  TRP   6           HZ3      TRP   6  23.439   3.885   8.297
   63    HH2  TRP   6           HH2      TRP   6  22.595   1.556   8.410
   64    H    GLU   7           HN       GLU   7  24.842   6.895   1.563
   65    HA   GLU   7           HA       GLU   7  26.861   5.885  -0.024
   66    HB2  GLU   7           HB2      GLU   7  25.628   8.588   0.280
   67    HB3  GLU   7           HB1      GLU   7  27.029   8.400  -0.773
   68    HG2  GLU   7           HG2      GLU   7  24.831   8.109  -1.955
   69    HG3  GLU   7           HG1      GLU   7  25.895   6.710  -2.081
   70    H    VAL   8           HN       VAL   8  27.239   7.301   3.016
   71    HA   VAL   8           HA       VAL   8  30.000   8.149   2.446
   72    HB   VAL   8           HB       VAL   8  28.593   8.552   5.074
   73   HG11  VAL   8          HG11      VAL   8  31.153   8.950   4.429
   74   HG12  VAL   8          HG12      VAL   8  30.289  10.055   5.497
   75   HG13  VAL   8          HG13      VAL   8  30.498  10.461   3.794
   76   HG21  VAL   8          HG21      VAL   8  28.499  10.353   2.628
   77   HG22  VAL   8          HG22      VAL   8  27.860  10.753   4.223
   78   HG23  VAL   8          HG23      VAL   8  27.128   9.454   3.282
   79    H    ILE   9           HN       ILE   9  28.105   5.911   4.413
   80    HA   ILE   9           HA       ILE   9  30.614   4.611   5.258
   81    HB   ILE   9           HB       ILE   9  29.671   5.223   7.260
   82   HG12  ILE   9          HG12      ILE   9  29.585   2.551   6.804
   83   HG13  ILE   9          HG11      ILE   9  29.154   3.285   8.334
   84   HG21  ILE   9          HG21      ILE   9  27.763   6.370   6.515
   85   HG22  ILE   9          HG22      ILE   9  27.163   5.172   7.651
   86   HG23  ILE   9          HG23      ILE   9  26.999   4.901   5.914
   87   HD11  ILE   9          HD11      ILE   9  27.082   2.839   6.182
   88   HD12  ILE   9          HD12      ILE   9  26.828   3.148   7.894
   89   HD13  ILE   9          HD13      ILE   9  27.480   1.600   7.365
   90    H    ALA  10           HN       ALA  10  27.280   4.063   4.192
   91    HA   ALA  10           HA       ALA  10  27.592   1.240   3.849
   92    HB1  ALA  10           HB1      ALA  10  25.611   3.107   2.523
   93    HB2  ALA  10           HB2      ALA  10  25.389   2.360   4.106
   94    HB3  ALA  10           HB3      ALA  10  25.472   1.354   2.661
   95    H    GLY  11           HN       GLY  11  27.073   3.735   1.339
   96    HA2  GLY  11           HA2      GLY  11  27.880   2.237  -0.847
   97    HA3  GLY  11           HA1      GLY  11  28.037   3.992  -0.745
   98    H    LEU  12           HN       LEU  12  29.681   3.308   1.805
   99    HA   LEU  12           HA       LEU  12  32.235   3.084   0.382
  100    HB2  LEU  12           HB2      LEU  12  31.718   5.051   1.937
  101    HB3  LEU  12           HB1      LEU  12  31.859   3.893   3.261
  102    HG   LEU  12           HG       LEU  12  34.116   3.291   1.910
  103   HD11  LEU  12          HD11      LEU  12  33.415   5.252   0.324
  104   HD12  LEU  12          HD12      LEU  12  35.097   5.135   0.846
  105   HD13  LEU  12          HD13      LEU  12  34.009   6.285   1.625
  106   HD21  LEU  12          HD21      LEU  12  34.027   3.848   4.282
  107   HD22  LEU  12          HD22      LEU  12  33.715   5.543   3.906
  108   HD23  LEU  12          HD23      LEU  12  35.279   4.825   3.518
  109    H    VAL  13           HN       VAL  13  30.180   1.522   2.717
  110    HA   VAL  13           HA       VAL  13  32.247  -0.558   3.134
  111    HB   VAL  13           HB       VAL  13  29.952   0.191   4.962
  112   HG11  VAL  13          HG11      VAL  13  31.843  -1.378   6.302
  113   HG12  VAL  13          HG12      VAL  13  31.646  -2.163   4.736
  114   HG13  VAL  13          HG13      VAL  13  30.243  -1.893   5.769
  115   HG21  VAL  13          HG21      VAL  13  32.869   0.405   5.645
  116   HG22  VAL  13          HG22      VAL  13  31.503   1.299   6.310
  117   HG23  VAL  13          HG23      VAL  13  32.116   1.692   4.704
  118    H    ALA  14           HN       ALA  14  28.693  -0.157   3.125
  119    HA   ALA  14           HA       ALA  14  27.898  -2.754   2.848
  120    HB1  ALA  14           HB1      ALA  14  26.298  -0.915   2.951
  121    HB2  ALA  14           HB2      ALA  14  25.971  -1.909   1.530
  122    HB3  ALA  14           HB3      ALA  14  26.799  -0.360   1.354
  123    H    LEU  15           HN       LEU  15  29.107  -0.629   0.269
  124    HA   LEU  15           HA       LEU  15  28.790  -2.551  -1.809
  125    HB2  LEU  15           HB2      LEU  15  29.035  -0.099  -2.208
  126    HB3  LEU  15           HB1      LEU  15  30.711  -0.210  -1.678
  127    HG   LEU  15           HG       LEU  15  31.158  -1.853  -3.491
  128   HD11  LEU  15          HD11      LEU  15  28.219  -1.483  -3.895
  129   HD12  LEU  15          HD12      LEU  15  29.205  -2.933  -4.084
  130   HD13  LEU  15          HD13      LEU  15  29.222  -1.687  -5.332
  131   HD21  LEU  15          HD21      LEU  15  31.800   0.213  -4.266
  132   HD22  LEU  15          HD22      LEU  15  30.215   0.930  -3.974
  133   HD23  LEU  15          HD23      LEU  15  30.478  -0.078  -5.398
  134    H    LEU  16           HN       LEU  16  31.293  -1.820   0.519
  135    HA   LEU  16           HA       LEU  16  33.152  -3.723  -0.691
  136    HB2  LEU  16           HB2      LEU  16  33.534  -2.199   1.884
  137    HB3  LEU  16           HB1      LEU  16  34.771  -2.894   0.833
  138    HG   LEU  16           HG       LEU  16  32.949  -0.559   0.186
  139   HD11  LEU  16          HD11      LEU  16  35.968  -0.628   0.234
  140   HD12  LEU  16          HD12      LEU  16  35.033  -0.275   1.687
  141   HD13  LEU  16          HD13      LEU  16  34.905   0.778   0.278
  142   HD21  LEU  16          HD21      LEU  16  34.814  -2.222  -1.496
  143   HD22  LEU  16          HD22      LEU  16  34.520  -0.529  -1.896
  144   HD23  LEU  16          HD23      LEU  16  33.180  -1.677  -1.870
  145    H    THR  17           HN       THR  17  30.502  -3.958   1.178
  146    HA   THR  17           HA       THR  17  31.554  -6.269   2.691
  147    HB   THR  17           HB       THR  17  29.684  -4.087   3.488
  148    HG1  THR  17           HG1      THR  17  31.787  -4.152   4.283
  149   HG21  THR  17          HG21      THR  17  28.175  -5.886   3.796
  150   HG22  THR  17          HG22      THR  17  28.940  -5.683   5.371
  151   HG23  THR  17          HG23      THR  17  29.459  -6.984   4.302
  152    H    PHE  18           HN       PHE  18  28.420  -4.950   1.603
  153    HA   PHE  18           HA       PHE  18  26.930  -7.228   1.487
  154    HB2  PHE  18           HB2      PHE  18  26.359  -4.780   0.784
  155    HB3  PHE  18           HB1      PHE  18  26.815  -5.324  -0.831
  156    HD1  PHE  18           HD2      PHE  18  24.492  -5.885   2.003
  157    HD2  PHE  18           HD1      PHE  18  25.447  -6.872  -2.067
  158    HE1  PHE  18           HE2      PHE  18  22.285  -6.984   1.753
  159    HE2  PHE  18           HE1      PHE  18  23.239  -7.971  -2.318
  160    HZ   PHE  18           HZ       PHE  18  21.657  -8.029  -0.408
  161    H    LEU  19           HN       LEU  19  29.269  -6.124  -0.946
  162    HA   LEU  19           HA       LEU  19  28.764  -8.317  -2.734
  163    HB2  LEU  19           HB2      LEU  19  30.867  -6.169  -2.564
  164    HB3  LEU  19           HB1      LEU  19  31.005  -7.477  -3.734
  165    HG   LEU  19           HG       LEU  19  29.866  -5.413  -4.629
  166   HD11  LEU  19          HD11      LEU  19  29.202  -8.095  -5.021
  167   HD12  LEU  19          HD12      LEU  19  28.711  -6.746  -6.042
  168   HD13  LEU  19          HD13      LEU  19  27.647  -7.309  -4.755
  169   HD21  LEU  19          HD21      LEU  19  28.702  -5.009  -2.372
  170   HD22  LEU  19          HD22      LEU  19  27.546  -6.239  -2.882
  171   HD23  LEU  19          HD23      LEU  19  27.729  -4.760  -3.821
  172    H    ALA  20           HN       ALA  20  30.690  -7.873   0.085
  173    HA   ALA  20           HA       ALA  20  32.500 -10.069  -0.552
  174    HB1  ALA  20           HB1      ALA  20  32.562  -7.838   1.199
  175    HB2  ALA  20           HB2      ALA  20  33.820  -9.047   0.942
  176    HB3  ALA  20           HB3      ALA  20  32.613  -9.286   2.204
  177    H    PHE  21           HN       PHE  21  29.933  -9.356   1.803
  178    HA   PHE  21           HA       PHE  21  29.935 -12.068   2.811
  179    HB2  PHE  21           HB2      PHE  21  28.197  -9.656   3.344
  180    HB3  PHE  21           HB1      PHE  21  27.922 -11.225   4.101
  181    HD1  PHE  21           HD1      PHE  21  30.699  -8.781   3.467
  182    HD2  PHE  21           HD2      PHE  21  28.994 -11.693   6.127
  183    HE1  PHE  21           HE1      PHE  21  32.456  -8.280   5.141
  184    HE2  PHE  21           HE2      PHE  21  30.752 -11.191   7.802
  185    HZ   PHE  21           HZ       PHE  21  32.481  -9.484   7.307
  186    H    GLY  22           HN       GLY  22  28.064 -10.126   0.560
  187    HA2  GLY  22           HA2      GLY  22  25.852 -11.891   0.290
  188    HA3  GLY  22           HA1      GLY  22  26.330 -10.651  -0.865
  189    H    PHE  23           HN       PHE  23  28.771 -11.415  -1.709
  190    HA   PHE  23           HA       PHE  23  28.333 -13.276  -3.678
  191    HB2  PHE  23           HB2      PHE  23  30.295 -12.148  -4.046
  192    HB3  PHE  23           HB1      PHE  23  30.764 -12.196  -2.346
  193    HD1  PHE  23           HD2      PHE  23  30.694 -14.077  -5.519
  194    HD2  PHE  23           HD1      PHE  23  31.910 -14.115  -1.399
  195    HE1  PHE  23           HE2      PHE  23  32.124 -16.056  -5.957
  196    HE2  PHE  23           HE1      PHE  23  33.337 -16.091  -1.838
  197    HZ   PHE  23           HZ       PHE  23  33.445 -17.064  -4.118
  198    H    TRP  24           HN       TRP  24  29.009 -13.807  -0.318
  199    HA   TRP  24           HA       TRP  24  29.485 -16.668  -0.753
  200    HB2  TRP  24           HB2      TRP  24  31.053 -15.722   0.764
  201    HB3  TRP  24           HB1      TRP  24  29.787 -14.872   1.652
  202    HD1  TRP  24           HD1      TRP  24  30.467 -18.548   0.665
  203    HE1  TRP  24           HE1      TRP  24  29.916 -20.042   2.696
  204    HE3  TRP  24           HE3      TRP  24  28.964 -14.990   3.981
  205    HZ2  TRP  24           HZ2      TRP  24  28.962 -19.758   5.373
  206    HZ3  TRP  24           HZ3      TRP  24  28.234 -15.620   6.269
  207    HH2  TRP  24           HH2      TRP  24  28.233 -17.998   6.966
  208    H    LEU  25           HN       LEU  25  27.707 -14.827   1.708
  209    HA   LEU  25           HA       LEU  25  26.013 -16.437   2.849
  210    HB2  LEU  25           HB2      LEU  25  25.537 -13.762   1.663
  211    HB3  LEU  25           HB1      LEU  25  24.114 -14.656   2.200
  212    HG   LEU  25           HG       LEU  25  26.537 -14.435   3.970
  213   HD11  LEU  25          HD11      LEU  25  25.907 -12.133   3.310
  214   HD12  LEU  25          HD12      LEU  25  25.535 -12.439   5.006
  215   HD13  LEU  25          HD13      LEU  25  24.245 -12.454   3.804
  216   HD21  LEU  25          HD21      LEU  25  25.162 -15.303   5.574
  217   HD22  LEU  25          HD22      LEU  25  24.205 -15.851   4.198
  218   HD23  LEU  25          HD23      LEU  25  23.775 -14.359   5.032
  219    H    PHE  26           HN       PHE  26  25.107 -15.204  -0.379
  220    HA   PHE  26           HA       PHE  26  22.968 -17.068  -0.666
  221    HB2  PHE  26           HB2      PHE  26  24.335 -15.653  -2.943
  222    HB3  PHE  26           HB1      PHE  26  22.638 -16.109  -2.791
  223    HD1  PHE  26           HD1      PHE  26  21.611 -15.173  -0.401
  224    HD2  PHE  26           HD2      PHE  26  24.722 -13.363  -2.745
  225    HE1  PHE  26           HE1      PHE  26  21.098 -12.975   0.617
  226    HE2  PHE  26           HE2      PHE  26  24.210 -11.163  -1.724
  227    HZ   PHE  26           HZ       PHE  26  22.400 -10.969  -0.040
  228    H    LYS  27           HN       LYS  27  25.948 -16.765  -2.600
  229    HA   LYS  27           HA       LYS  27  25.810 -19.129  -3.983
  230    HB2  LYS  27           HB2      LYS  27  28.333 -17.868  -2.911
  231    HB3  LYS  27           HB1      LYS  27  28.204 -18.946  -4.302
  232    HG2  LYS  27           HG2      LYS  27  26.563 -17.257  -5.291
  233    HG3  LYS  27           HG1      LYS  27  27.070 -16.156  -4.012
  234    HD2  LYS  27           HD2      LYS  27  28.730 -15.541  -5.415
  235    HD3  LYS  27           HD1      LYS  27  29.476 -17.084  -5.000
  236    HE2  LYS  27           HE2      LYS  27  27.770 -16.422  -7.401
  237    HE3  LYS  27           HE1      LYS  27  29.402 -17.086  -7.370
  238    HZ1  LYS  27           HZ1      LYS  27  27.474 -18.692  -5.961
  239    HZ2  LYS  27           HZ2      LYS  27  28.635 -19.150  -7.115
  240    HZ3  LYS  27           HZ3      LYS  27  27.134 -18.534  -7.616
  241    H    TYR  28           HN       TYR  28  26.012 -18.905  -0.636
  242    HA   TYR  28           HA       TYR  28  27.117 -21.651  -0.446
  243    HB2  TYR  28           HB2      TYR  28  28.600 -20.756   0.979
  244    HB3  TYR  28           HB1      TYR  28  27.719 -19.233   1.065
  245    HD1  TYR  28           HD1      TYR  28  27.404 -22.796   2.193
  246    HD2  TYR  28           HD2      TYR  28  26.696 -18.654   3.081
  247    HE1  TYR  28           HE1      TYR  28  26.544 -23.422   4.435
  248    HE2  TYR  28           HE2      TYR  28  25.833 -19.280   5.319
  249    HH   TYR  28           HH       TYR  28  26.406 -21.836   6.858
  250    H    LEU  29           HN       LEU  29  24.801 -19.370   1.019
  251    HA   LEU  29           HA       LEU  29  23.387 -21.573   2.299
  252    HB2  LEU  29           HB2      LEU  29  23.799 -19.057   3.126
  253    HB3  LEU  29           HB1      LEU  29  22.263 -18.818   2.292
  254    HG   LEU  29           HG       LEU  29  22.796 -20.890   4.445
  255   HD11  LEU  29          HD11      LEU  29  21.147 -19.462   5.721
  256   HD12  LEU  29          HD12      LEU  29  21.311 -18.251   4.450
  257   HD13  LEU  29          HD13      LEU  29  22.708 -18.695   5.432
  258   HD21  LEU  29          HD21      LEU  29  21.104 -21.844   3.150
  259   HD22  LEU  29          HD22      LEU  29  20.466 -20.278   2.647
  260   HD23  LEU  29          HD23      LEU  29  20.159 -20.873   4.280
  261    H    GLN  30           HN       GLN  30  22.820 -19.178  -0.261
  262    HA   GLN  30           HA       GLN  30  20.169 -20.131  -0.838
  263    HB2  GLN  30           HB2      GLN  30  20.719 -17.834  -1.337
  264    HB3  GLN  30           HB1      GLN  30  22.046 -18.336  -2.384
  265    HG2  GLN  30           HG2      GLN  30  20.634 -19.086  -4.062
  266    HG3  GLN  30           HG1      GLN  30  19.297 -19.371  -2.951
  267   HE21  GLN  30          HE21      GLN  30  20.792 -16.320  -2.395
  268   HE22  GLN  30          HE22      GLN  30  19.665 -15.371  -3.234
  269    H    LYS  31           HN       LYS  31  23.284 -21.248  -1.536
  270    HA   LYS  31           HA       LYS  31  22.332 -22.783  -3.878
  271    HB2  LYS  31           HB2      LYS  31  24.974 -21.659  -3.098
  272    HB3  LYS  31           HB1      LYS  31  24.970 -23.202  -3.952
  273    HG2  LYS  31           HG2      LYS  31  25.099 -21.274  -5.516
  274    HG3  LYS  31           HG1      LYS  31  23.638 -22.231  -5.762
  275    HD2  LYS  31           HD2      LYS  31  22.256 -20.620  -4.782
  276    HD3  LYS  31           HD1      LYS  31  23.586 -19.881  -3.889
  277    HE2  LYS  31           HE2      LYS  31  24.266 -18.616  -5.677
  278    HE3  LYS  31           HE1      LYS  31  23.806 -19.845  -6.854
  279    HZ1  LYS  31           HZ1      LYS  31  21.599 -19.192  -6.797
  280    HZ2  LYS  31           HZ2      LYS  31  22.426 -17.709  -6.716
  281    HZ3  LYS  31           HZ3      LYS  31  21.756 -18.391  -5.310
  282    H    LYS  32           HN       LYS  32  24.052 -23.004  -0.793
  283    HA   LYS  32           HA       LYS  32  24.621 -24.817   0.516
  284    HB2  LYS  32           HB2      LYS  32  21.847 -24.812  -0.006
  285    HB3  LYS  32           HB1      LYS  32  22.368 -26.494  -0.120
  286    HG2  LYS  32           HG2      LYS  32  23.453 -26.328   2.077
  287    HG3  LYS  32           HG1      LYS  32  22.990 -24.630   2.190
  288    HD2  LYS  32           HD2      LYS  32  20.832 -26.629   1.664
  289    HD3  LYS  32           HD1      LYS  32  21.499 -26.545   3.295
  290    HE2  LYS  32           HE2      LYS  32  20.738 -23.998   1.909
  291    HE3  LYS  32           HE1      LYS  32  19.469 -24.999   2.614
  292    HZ1  LYS  32           HZ1      LYS  32  20.858 -25.001   4.692
  293    HZ2  LYS  32           HZ2      LYS  32  20.146 -23.513   4.287
  294    HZ3  LYS  32           HZ3      LYS  32  21.796 -23.779   3.982
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1  22.707  16.768   1.445
    2    H2   LYS   1           HT2      LYS   1  22.682  18.466   1.495
    3    H3   LYS   1           HT3      LYS   1  24.163  17.637   1.395
    4    HA   LYS   1           HA       LYS   1  22.339  18.393  -0.688
    5    HB2  LYS   1           HB2      LYS   1  25.228  17.519  -0.478
    6    HB3  LYS   1           HB1      LYS   1  24.465  17.909  -2.020
    7    HG2  LYS   1           HG2      LYS   1  24.157  19.873   0.208
    8    HG3  LYS   1           HG1      LYS   1  25.731  19.772  -0.585
    9    HD2  LYS   1           HD2      LYS   1  23.259  19.907  -2.278
   10    HD3  LYS   1           HD1      LYS   1  23.873  21.387  -1.539
   11    HE2  LYS   1           HE2      LYS   1  25.814  21.372  -2.788
   12    HE3  LYS   1           HE1      LYS   1  25.833  19.614  -2.930
   13    HZ1  LYS   1           HZ1      LYS   1  24.523  19.655  -4.739
   14    HZ2  LYS   1           HZ2      LYS   1  25.103  21.244  -4.900
   15    HZ3  LYS   1           HZ3      LYS   1  23.589  20.958  -4.184
   16    H    LYS   2           HN       LYS   2  24.588  15.653  -0.688
   17    HA   LYS   2           HA       LYS   2  22.836  14.101  -2.355
   18    HB2  LYS   2           HB2      LYS   2  24.587  12.353  -2.120
   19    HB3  LYS   2           HB1      LYS   2  25.252  13.912  -2.609
   20    HG2  LYS   2           HG2      LYS   2  26.565  13.956  -0.786
   21    HG3  LYS   2           HG1      LYS   2  25.156  13.800   0.262
   22    HD2  LYS   2           HD2      LYS   2  25.218  11.380   0.080
   23    HD3  LYS   2           HD1      LYS   2  26.511  11.466  -1.117
   24    HE2  LYS   2           HE2      LYS   2  27.267  12.959   1.231
   25    HE3  LYS   2           HE1      LYS   2  26.789  11.326   1.694
   26    HZ1  LYS   2           HZ1      LYS   2  29.157  11.526   1.089
   27    HZ2  LYS   2           HZ2      LYS   2  28.699  11.957  -0.490
   28    HZ3  LYS   2           HZ3      LYS   2  28.318  10.417   0.119
   29    H    HIS   3           HN       HIS   3  23.189  11.523  -1.346
   30    HA   HIS   3           HA       HIS   3  20.974  11.155   0.267
   31    HB2  HIS   3           HB2      HIS   3  22.326   9.410  -1.032
   32    HB3  HIS   3           HB1      HIS   3  23.381   9.340   0.379
   33    HD2  HIS   3           HD2      HIS   3  22.393   6.733   1.062
   34    HE1  HIS   3           HE1      HIS   3  18.487   8.028   2.002
   35    HE2  HIS   3           HE2      HIS   3  20.101   6.073   2.125
   36    H    THR   4           HN       THR   4  21.423   9.756   2.472
   37    HA   THR   4           HA       THR   4  22.123  11.732   4.404
   38    HB   THR   4           HB       THR   4  20.433  10.152   4.998
   39    HG1  THR   4           HG1      THR   4  22.748  10.331   6.357
   40   HG21  THR   4          HG21      THR   4  22.245   8.304   3.687
   41   HG22  THR   4          HG22      THR   4  20.529   8.115   4.044
   42   HG23  THR   4          HG23      THR   4  21.734   7.682   5.256
   43    H    ILE   5           HN       ILE   5  23.302   8.813   5.509
   44    HA   ILE   5           HA       ILE   5  26.094   9.710   5.140
   45    HB   ILE   5           HB       ILE   5  26.445   8.184   7.193
   46   HG12  ILE   5          HG12      ILE   5  23.675   8.812   7.996
   47   HG13  ILE   5          HG11      ILE   5  23.811   7.564   6.757
   48   HG21  ILE   5          HG21      ILE   5  26.622  10.623   7.284
   49   HG22  ILE   5          HG22      ILE   5  25.767  10.037   8.711
   50   HG23  ILE   5          HG23      ILE   5  24.866  10.767   7.382
   51   HD11  ILE   5          HD11      ILE   5  25.169   6.192   8.125
   52   HD12  ILE   5          HD12      ILE   5  23.912   6.788   9.209
   53   HD13  ILE   5          HD13      ILE   5  25.519   7.512   9.241
   54    H    TRP   6           HN       TRP   6  23.818   7.186   4.589
   55    HA   TRP   6           HA       TRP   6  25.278   4.884   4.431
   56    HB2  TRP   6           HB2      TRP   6  22.878   5.903   3.214
   57    HB3  TRP   6           HB1      TRP   6  23.786   4.956   2.036
   58    HD1  TRP   6           HD1      TRP   6  22.609   2.689   2.047
   59    HE1  TRP   6           HE1      TRP   6  22.036   0.932   3.838
   60    HE3  TRP   6           HE3      TRP   6  23.888   5.281   6.249
   61    HZ2  TRP   6           HZ2      TRP   6  22.112   0.663   6.679
   62    HZ3  TRP   6           HZ3      TRP   6  23.629   4.251   8.488
   63    HH2  TRP   6           HH2      TRP   6  22.742   1.947   8.710
   64    H    GLU   7           HN       GLU   7  24.946   7.197   1.725
   65    HA   GLU   7           HA       GLU   7  26.810   5.982   0.031
   66    HB2  GLU   7           HB2      GLU   7  25.639   8.705   0.288
   67    HB3  GLU   7           HB1      GLU   7  27.045   8.505  -0.758
   68    HG2  GLU   7           HG2      GLU   7  24.619   6.711  -0.939
   69    HG3  GLU   7           HG1      GLU   7  24.767   8.196  -1.876
   70    H    VAL   8           HN       VAL   8  27.375   7.398   3.012
   71    HA   VAL   8           HA       VAL   8  30.138   8.153   2.328
   72    HB   VAL   8           HB       VAL   8  28.797   8.640   4.980
   73   HG11  VAL   8          HG11      VAL   8  30.513  10.253   5.274
   74   HG12  VAL   8          HG12      VAL   8  30.933  10.233   3.561
   75   HG13  VAL   8          HG13      VAL   8  31.327   8.850   4.582
   76   HG21  VAL   8          HG21      VAL   8  27.387   9.623   3.194
   77   HG22  VAL   8          HG22      VAL   8  28.805  10.433   2.529
   78   HG23  VAL   8          HG23      VAL   8  28.203  10.879   4.124
   79    H    ILE   9           HN       ILE   9  28.223   6.044   4.418
   80    HA   ILE   9           HA       ILE   9  30.700   4.655   5.210
   81    HB   ILE   9           HB       ILE   9  29.820   5.330   7.219
   82   HG12  ILE   9          HG12      ILE   9  29.623   2.653   6.806
   83   HG13  ILE   9          HG11      ILE   9  29.266   3.429   8.335
   84   HG21  ILE   9          HG21      ILE   9  27.937   6.532   6.480
   85   HG22  ILE   9          HG22      ILE   9  27.321   5.384   7.661
   86   HG23  ILE   9          HG23      ILE   9  27.108   5.076   5.934
   87   HD11  ILE   9          HD11      ILE   9  26.925   3.380   7.963
   88   HD12  ILE   9          HD12      ILE   9  27.499   1.796   7.448
   89   HD13  ILE   9          HD13      ILE   9  27.117   3.023   6.250
   90    H    ALA  10           HN       ALA  10  27.317   4.185   4.251
   91    HA   ALA  10           HA       ALA  10  27.556   1.354   3.925
   92    HB1  ALA  10           HB1      ALA  10  25.569   3.222   2.612
   93    HB2  ALA  10           HB2      ALA  10  25.388   2.565   4.240
   94    HB3  ALA  10           HB3      ALA  10  25.395   1.483   2.848
   95    H    GLY  11           HN       GLY  11  27.010   3.840   1.411
   96    HA2  GLY  11           HA2      GLY  11  27.703   2.302  -0.788
   97    HA3  GLY  11           HA1      GLY  11  27.907   4.053  -0.708
   98    H    LEU  12           HN       LEU  12  29.624   3.335   1.792
   99    HA   LEU  12           HA       LEU  12  32.117   3.031   0.276
  100    HB2  LEU  12           HB2      LEU  12  31.715   5.039   1.807
  101    HB3  LEU  12           HB1      LEU  12  31.866   3.905   3.152
  102    HG   LEU  12           HG       LEU  12  34.057   3.210   1.726
  103   HD11  LEU  12          HD11      LEU  12  33.929   6.211   1.393
  104   HD12  LEU  12          HD12      LEU  12  33.431   5.112   0.106
  105   HD13  LEU  12          HD13      LEU  12  35.092   5.084   0.697
  106   HD21  LEU  12          HD21      LEU  12  33.825   5.506   3.699
  107   HD22  LEU  12          HD22      LEU  12  35.326   4.674   3.294
  108   HD23  LEU  12          HD23      LEU  12  34.026   3.802   4.106
  109    H    VAL  13           HN       VAL  13  30.112   1.558   2.710
  110    HA   VAL  13           HA       VAL  13  32.152  -0.555   3.110
  111    HB   VAL  13           HB       VAL  13  29.899   0.264   4.959
  112   HG11  VAL  13          HG11      VAL  13  31.987  -1.917   5.046
  113   HG12  VAL  13          HG12      VAL  13  30.242  -2.066   5.253
  114   HG13  VAL  13          HG13      VAL  13  31.218  -1.310   6.512
  115   HG21  VAL  13          HG21      VAL  13  31.495   1.355   6.265
  116   HG22  VAL  13          HG22      VAL  13  32.103   1.699   4.646
  117   HG23  VAL  13          HG23      VAL  13  32.828   0.408   5.605
  118    H    ALA  14           HN       ALA  14  28.610  -0.080   3.104
  119    HA   ALA  14           HA       ALA  14  27.748  -2.662   2.894
  120    HB1  ALA  14           HB1      ALA  14  25.857  -1.792   1.524
  121    HB2  ALA  14           HB2      ALA  14  26.723  -0.266   1.349
  122    HB3  ALA  14           HB3      ALA  14  26.184  -0.797   2.943
  123    H    LEU  15           HN       LEU  15  28.889  -0.614   0.211
  124    HA   LEU  15           HA       LEU  15  28.578  -2.592  -1.791
  125    HB2  LEU  15           HB2      LEU  15  28.860  -0.161  -2.266
  126    HB3  LEU  15           HB1      LEU  15  30.532  -0.276  -1.723
  127    HG   LEU  15           HG       LEU  15  30.977  -1.966  -3.489
  128   HD11  LEU  15          HD11      LEU  15  29.042  -1.856  -5.333
  129   HD12  LEU  15          HD12      LEU  15  28.039  -1.604  -3.906
  130   HD13  LEU  15          HD13      LEU  15  29.021  -3.062  -4.047
  131   HD21  LEU  15          HD21      LEU  15  29.891   0.019  -5.261
  132   HD22  LEU  15          HD22      LEU  15  31.568  -0.208  -4.764
  133   HD23  LEU  15          HD23      LEU  15  30.496   0.816  -3.809
  134    H    LEU  16           HN       LEU  16  31.082  -1.868   0.529
  135    HA   LEU  16           HA       LEU  16  32.903  -3.836  -0.645
  136    HB2  LEU  16           HB2      LEU  16  33.353  -2.227   1.865
  137    HB3  LEU  16           HB1      LEU  16  34.558  -2.979   0.818
  138    HG   LEU  16           HG       LEU  16  32.770  -0.634   0.125
  139   HD11  LEU  16          HD11      LEU  16  34.746   0.667   0.137
  140   HD12  LEU  16          HD12      LEU  16  35.786  -0.758   0.097
  141   HD13  LEU  16          HD13      LEU  16  34.900  -0.353   1.568
  142   HD21  LEU  16          HD21      LEU  16  34.279  -0.705  -1.992
  143   HD22  LEU  16          HD22      LEU  16  32.932  -1.838  -1.892
  144   HD23  LEU  16          HD23      LEU  16  34.571  -2.385  -1.541
  145    H    THR  17           HN       THR  17  30.259  -4.011   1.208
  146    HA   THR  17           HA       THR  17  31.310  -6.272   2.800
  147    HB   THR  17           HB       THR  17  29.475  -4.047   3.573
  148    HG1  THR  17           HG1      THR  17  31.748  -5.337   4.467
  149   HG21  THR  17          HG21      THR  17  29.285  -6.917   4.480
  150   HG22  THR  17          HG22      THR  17  27.981  -5.831   3.994
  151   HG23  THR  17          HG23      THR  17  28.805  -5.588   5.534
  152    H    PHE  18           HN       PHE  18  28.194  -4.917   1.706
  153    HA   PHE  18           HA       PHE  18  26.606  -7.112   1.709
  154    HB2  PHE  18           HB2      PHE  18  26.215  -4.682   0.768
  155    HB3  PHE  18           HB1      PHE  18  26.586  -5.446  -0.778
  156    HD1  PHE  18           HD2      PHE  18  24.442  -5.830   2.265
  157    HD2  PHE  18           HD1      PHE  18  24.933  -6.673  -1.919
  158    HE1  PHE  18           HE2      PHE  18  22.151  -6.776   2.187
  159    HE2  PHE  18           HE1      PHE  18  22.641  -7.619  -1.996
  160    HZ   PHE  18           HZ       PHE  18  21.250  -7.669   0.057
  161    H    LEU  19           HN       LEU  19  28.847  -6.253  -0.928
  162    HA   LEU  19           HA       LEU  19  28.333  -8.637  -2.428
  163    HB2  LEU  19           HB2      LEU  19  30.415  -6.468  -2.545
  164    HB3  LEU  19           HB1      LEU  19  30.566  -7.906  -3.551
  165    HG   LEU  19           HG       LEU  19  29.374  -5.970  -4.663
  166   HD11  LEU  19          HD11      LEU  19  28.763  -8.709  -4.724
  167   HD12  LEU  19          HD12      LEU  19  28.295  -7.503  -5.919
  168   HD13  LEU  19          HD13      LEU  19  27.200  -7.904  -4.597
  169   HD21  LEU  19          HD21      LEU  19  27.102  -6.670  -2.796
  170   HD22  LEU  19          HD22      LEU  19  27.202  -5.319  -3.924
  171   HD23  LEU  19          HD23      LEU  19  28.208  -5.335  -2.476
  172    H    ALA  20           HN       ALA  20  31.109  -7.582  -0.444
  173    HA   ALA  20           HA       ALA  20  32.759  -9.744  -0.639
  174    HB1  ALA  20           HB1      ALA  20  33.237  -7.737   0.726
  175    HB2  ALA  20           HB2      ALA  20  33.557  -9.229   1.609
  176    HB3  ALA  20           HB3      ALA  20  32.091  -8.306   1.938
  177    H    PHE  21           HN       PHE  21  30.118  -9.446   1.755
  178    HA   PHE  21           HA       PHE  21  30.371 -12.229   2.500
  179    HB2  PHE  21           HB2      PHE  21  28.432 -10.054   3.293
  180    HB3  PHE  21           HB1      PHE  21  28.349 -11.702   3.916
  181    HD1  PHE  21           HD1      PHE  21  30.548  -8.710   3.650
  182    HD2  PHE  21           HD2      PHE  21  29.819 -12.451   5.629
  183    HE1  PHE  21           HE1      PHE  21  32.307  -8.172   5.313
  184    HE2  PHE  21           HE2      PHE  21  31.578 -11.913   7.292
  185    HZ   PHE  21           HZ       PHE  21  32.821  -9.773   7.134
  186    H    GLY  22           HN       GLY  22  28.153 -10.236   0.600
  187    HA2  GLY  22           HA2      GLY  22  26.072 -12.036   0.195
  188    HA3  GLY  22           HA1      GLY  22  26.573 -10.816  -0.972
  189    H    PHE  23           HN       PHE  23  29.085 -11.664  -1.667
  190    HA   PHE  23           HA       PHE  23  28.628 -13.543  -3.648
  191    HB2  PHE  23           HB2      PHE  23  30.930 -12.190  -2.523
  192    HB3  PHE  23           HB1      PHE  23  31.329 -13.845  -2.975
  193    HD1  PHE  23           HD1      PHE  23  30.160 -14.602  -5.300
  194    HD2  PHE  23           HD2      PHE  23  31.170 -10.575  -4.193
  195    HE1  PHE  23           HE1      PHE  23  30.193 -13.952  -7.691
  196    HE2  PHE  23           HE2      PHE  23  31.205  -9.927  -6.584
  197    HZ   PHE  23           HZ       PHE  23  30.715 -11.615  -8.334
  198    H    TRP  24           HN       TRP  24  28.996 -14.018  -0.293
  199    HA   TRP  24           HA       TRP  24  29.538 -16.890  -0.653
  200    HB2  TRP  24           HB2      TRP  24  31.107 -15.925   0.865
  201    HB3  TRP  24           HB1      TRP  24  29.833 -15.070   1.737
  202    HD1  TRP  24           HD1      TRP  24  30.451 -18.753   0.738
  203    HE1  TRP  24           HE1      TRP  24  29.885 -20.244   2.768
  204    HE3  TRP  24           HE3      TRP  24  29.055 -15.176   4.079
  205    HZ2  TRP  24           HZ2      TRP  24  28.959 -19.947   5.454
  206    HZ3  TRP  24           HZ3      TRP  24  28.334 -15.798   6.371
  207    HH2  TRP  24           HH2      TRP  24  28.284 -18.178   7.060
  208    H    LEU  25           HN       LEU  25  27.819 -15.010   1.811
  209    HA   LEU  25           HA       LEU  25  26.046 -16.570   2.903
  210    HB2  LEU  25           HB2      LEU  25  25.713 -13.846   1.796
  211    HB3  LEU  25           HB1      LEU  25  24.234 -14.685   2.267
  212    HG   LEU  25           HG       LEU  25  26.621 -14.642   4.100
  213   HD11  LEU  25          HD11      LEU  25  25.682 -12.641   5.185
  214   HD12  LEU  25          HD12      LEU  25  24.427 -12.553   3.950
  215   HD13  LEU  25          HD13      LEU  25  26.114 -12.293   3.510
  216   HD21  LEU  25          HD21      LEU  25  23.845 -14.475   5.105
  217   HD22  LEU  25          HD22      LEU  25  25.172 -15.508   5.636
  218   HD23  LEU  25          HD23      LEU  25  24.220 -15.954   4.222
  219    H    PHE  26           HN       PHE  26  25.226 -15.239  -0.314
  220    HA   PHE  26           HA       PHE  26  23.037 -17.062  -0.641
  221    HB2  PHE  26           HB2      PHE  26  24.387 -15.575  -2.882
  222    HB3  PHE  26           HB1      PHE  26  22.686 -16.011  -2.717
  223    HD1  PHE  26           HD1      PHE  26  21.737 -15.156  -0.251
  224    HD2  PHE  26           HD2      PHE  26  24.786 -13.289  -2.636
  225    HE1  PHE  26           HE1      PHE  26  21.276 -12.988   0.855
  226    HE2  PHE  26           HE2      PHE  26  24.324 -11.121  -1.528
  227    HZ   PHE  26           HZ       PHE  26  22.573 -10.972   0.219
  228    H    LYS  27           HN       LYS  27  26.063 -16.712  -2.498
  229    HA   LYS  27           HA       LYS  27  25.892 -19.021  -3.992
  230    HB2  LYS  27           HB2      LYS  27  28.499 -18.009  -2.856
  231    HB3  LYS  27           HB1      LYS  27  28.224 -18.815  -4.399
  232    HG2  LYS  27           HG2      LYS  27  27.294 -16.039  -3.602
  233    HG3  LYS  27           HG1      LYS  27  28.484 -16.450  -4.838
  234    HD2  LYS  27           HD2      LYS  27  26.548 -17.831  -5.904
  235    HD3  LYS  27           HD1      LYS  27  25.501 -16.839  -4.887
  236    HE2  LYS  27           HE2      LYS  27  27.094 -14.910  -5.934
  237    HE3  LYS  27           HE1      LYS  27  27.106 -16.072  -7.262
  238    HZ1  LYS  27           HZ1      LYS  27  24.815 -15.952  -7.495
  239    HZ2  LYS  27           HZ2      LYS  27  25.249 -14.338  -7.188
  240    HZ3  LYS  27           HZ3      LYS  27  24.581 -15.291  -5.951
  241    H    TYR  28           HN       TYR  28  26.025 -18.917  -0.639
  242    HA   TYR  28           HA       TYR  28  27.099 -21.680  -0.519
  243    HB2  TYR  28           HB2      TYR  28  28.564 -20.849   0.966
  244    HB3  TYR  28           HB1      TYR  28  27.694 -19.325   1.098
  245    HD1  TYR  28           HD1      TYR  28  27.343 -22.928   2.074
  246    HD2  TYR  28           HD2      TYR  28  26.618 -18.823   3.109
  247    HE1  TYR  28           HE1      TYR  28  26.430 -23.641   4.269
  248    HE2  TYR  28           HE2      TYR  28  25.706 -19.534   5.301
  249    HH   TYR  28           HH       TYR  28  24.845 -22.713   5.988
  250    H    LEU  29           HN       LEU  29  24.778 -19.427   0.977
  251    HA   LEU  29           HA       LEU  29  23.322 -21.653   2.161
  252    HB2  LEU  29           HB2      LEU  29  23.755 -19.173   3.077
  253    HB3  LEU  29           HB1      LEU  29  22.234 -18.887   2.235
  254    HG   LEU  29           HG       LEU  29  22.709 -21.042   4.316
  255   HD11  LEU  29          HD11      LEU  29  21.311 -18.359   4.412
  256   HD12  LEU  29          HD12      LEU  29  22.658 -18.908   5.409
  257   HD13  LEU  29          HD13      LEU  29  21.059 -19.619   5.621
  258   HD21  LEU  29          HD21      LEU  29  20.415 -20.329   2.517
  259   HD22  LEU  29          HD22      LEU  29  20.066 -20.935   4.136
  260   HD23  LEU  29          HD23      LEU  29  20.997 -21.920   3.009
  261    H    GLN  30           HN       GLN  30  22.895 -19.237  -0.375
  262    HA   GLN  30           HA       GLN  30  20.215 -20.128  -1.006
  263    HB2  GLN  30           HB2      GLN  30  20.793 -17.795  -1.339
  264    HB3  GLN  30           HB1      GLN  30  22.101 -18.242  -2.430
  265    HG2  GLN  30           HG2      GLN  30  20.689 -18.750  -4.159
  266    HG3  GLN  30           HG1      GLN  30  19.398 -19.290  -3.088
  267   HE21  GLN  30          HE21      GLN  30  20.831 -16.201  -2.324
  268   HE22  GLN  30          HE22      GLN  30  19.560 -15.243  -2.915
  269    H    LYS  31           HN       LYS  31  23.353 -21.184  -1.739
  270    HA   LYS  31           HA       LYS  31  22.389 -22.641  -4.131
  271    HB2  LYS  31           HB2      LYS  31  25.004 -21.384  -3.457
  272    HB3  LYS  31           HB1      LYS  31  25.027 -22.872  -4.401
  273    HG2  LYS  31           HG2      LYS  31  24.936 -20.837  -5.838
  274    HG3  LYS  31           HG1      LYS  31  23.535 -21.884  -6.062
  275    HD2  LYS  31           HD2      LYS  31  22.094 -20.418  -5.010
  276    HD3  LYS  31           HD1      LYS  31  23.360 -19.741  -3.985
  277    HE2  LYS  31           HE2      LYS  31  24.322 -18.576  -5.934
  278    HE3  LYS  31           HE1      LYS  31  23.065 -19.260  -6.966
  279    HZ1  LYS  31           HZ1      LYS  31  22.615 -16.965  -6.161
  280    HZ2  LYS  31           HZ2      LYS  31  22.504 -17.585  -4.583
  281    HZ3  LYS  31           HZ3      LYS  31  21.401 -18.085  -5.776
  282    H    LYS  32           HN       LYS  32  24.387 -22.868  -1.206
  283    HA   LYS  32           HA       LYS  32  25.259 -24.717  -0.114
  284    HB2  LYS  32           HB2      LYS  32  22.727 -26.196  -0.512
  285    HB3  LYS  32           HB1      LYS  32  23.586 -25.801   0.975
  286    HG2  LYS  32           HG2      LYS  32  22.842 -23.414   0.688
  287    HG3  LYS  32           HG1      LYS  32  21.842 -23.943  -0.665
  288    HD2  LYS  32           HD2      LYS  32  21.309 -25.718   1.485
  289    HD3  LYS  32           HD1      LYS  32  21.264 -24.086   2.149
  290    HE2  LYS  32           HE2      LYS  32  19.048 -24.762   1.286
  291    HE3  LYS  32           HE1      LYS  32  19.697 -23.399   0.376
  292    HZ1  LYS  32           HZ1      LYS  32  18.792 -25.097  -1.087
  293    HZ2  LYS  32           HZ2      LYS  32  19.857 -26.251  -0.437
  294    HZ3  LYS  32           HZ3      LYS  32  20.464 -24.931  -1.317
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1  23.192  17.920  -3.415
    2    H2   LYS   1           HT2      LYS   1  23.241  16.742  -2.193
    3    H3   LYS   1           HT3      LYS   1  21.771  17.115  -2.961
    4    HA   LYS   1           HA       LYS   1  22.130  15.606  -4.516
    5    HB2  LYS   1           HB2      LYS   1  24.803  17.001  -4.836
    6    HB3  LYS   1           HB1      LYS   1  24.177  15.781  -5.944
    7    HG2  LYS   1           HG2      LYS   1  22.155  17.779  -5.468
    8    HG3  LYS   1           HG1      LYS   1  23.650  18.561  -5.981
    9    HD2  LYS   1           HD2      LYS   1  23.779  17.085  -7.936
   10    HD3  LYS   1           HD1      LYS   1  22.320  16.241  -7.412
   11    HE2  LYS   1           HE2      LYS   1  22.314  19.224  -7.856
   12    HE3  LYS   1           HE1      LYS   1  22.057  18.104  -9.194
   13    HZ1  LYS   1           HZ1      LYS   1  20.222  18.937  -7.247
   14    HZ2  LYS   1           HZ2      LYS   1  20.475  17.268  -7.053
   15    HZ3  LYS   1           HZ3      LYS   1  19.966  17.884  -8.552
   16    H    LYS   2           HN       LYS   2  22.834  15.093  -1.747
   17    HA   LYS   2           HA       LYS   2  24.504  12.724  -2.182
   18    HB2  LYS   2           HB2      LYS   2  25.484  15.056  -0.910
   19    HB3  LYS   2           HB1      LYS   2  25.201  13.867   0.361
   20    HG2  LYS   2           HG2      LYS   2  26.761  13.331  -2.187
   21    HG3  LYS   2           HG1      LYS   2  27.484  13.681  -0.617
   22    HD2  LYS   2           HD2      LYS   2  25.541  11.609  -0.261
   23    HD3  LYS   2           HD1      LYS   2  26.590  11.161  -1.606
   24    HE2  LYS   2           HE2      LYS   2  27.475  10.399   0.602
   25    HE3  LYS   2           HE1      LYS   2  28.573  11.499  -0.231
   26    HZ1  LYS   2           HZ1      LYS   2  28.451  12.892   1.465
   27    HZ2  LYS   2           HZ2      LYS   2  27.466  11.791   2.303
   28    HZ3  LYS   2           HZ3      LYS   2  26.765  12.988   1.324
   29    H    HIS   3           HN       HIS   3  23.716  10.989  -1.156
   30    HA   HIS   3           HA       HIS   3  21.228  11.052   0.164
   31    HB2  HIS   3           HB2      HIS   3  22.312   9.077  -1.017
   32    HB3  HIS   3           HB1      HIS   3  23.289   8.861   0.436
   33    HD2  HIS   3           HD2      HIS   3  21.842   6.455   1.073
   34    HE1  HIS   3           HE1      HIS   3  18.204   8.421   1.915
   35    HE2  HIS   3           HE2      HIS   3  19.444   6.211   2.077
   36    H    THR   4           HN       THR   4  21.209   9.678   2.409
   37    HA   THR   4           HA       THR   4  21.906  11.487   4.416
   38    HB   THR   4           HB       THR   4  20.231   9.865   4.900
   39    HG1  THR   4           HG1      THR   4  22.172  10.303   6.463
   40   HG21  THR   4          HG21      THR   4  21.545   7.402   5.128
   41   HG22  THR   4          HG22      THR   4  22.120   8.080   3.605
   42   HG23  THR   4          HG23      THR   4  20.391   7.867   3.879
   43    H    ILE   5           HN       ILE   5  23.109   8.516   5.424
   44    HA   ILE   5           HA       ILE   5  25.888   9.513   5.261
   45    HB   ILE   5           HB       ILE   5  26.179   7.910   7.267
   46   HG12  ILE   5          HG12      ILE   5  23.368   8.442   7.981
   47   HG13  ILE   5          HG11      ILE   5  23.572   7.264   6.682
   48   HG21  ILE   5          HG21      ILE   5  26.304  10.338   7.477
   49   HG22  ILE   5          HG22      ILE   5  25.365   9.688   8.821
   50   HG23  ILE   5          HG23      ILE   5  24.544  10.456   7.462
   51   HD11  ILE   5          HD11      ILE   5  24.939   5.861   8.027
   52   HD12  ILE   5          HD12      ILE   5  23.593   6.331   9.064
   53   HD13  ILE   5          HD13      ILE   5  25.160   7.118   9.243
   54    H    TRP   6           HN       TRP   6  23.713   6.918   4.556
   55    HA   TRP   6           HA       TRP   6  25.252   4.682   4.338
   56    HB2  TRP   6           HB2      TRP   6  22.885   5.700   3.034
   57    HB3  TRP   6           HB1      TRP   6  23.875   4.803   1.884
   58    HD1  TRP   6           HD1      TRP   6  22.734   2.518   1.771
   59    HE1  TRP   6           HE1      TRP   6  22.104   0.701   3.481
   60    HE3  TRP   6           HE3      TRP   6  23.761   5.007   6.101
   61    HZ2  TRP   6           HZ2      TRP   6  22.044   0.352   6.314
   62    HZ3  TRP   6           HZ3      TRP   6  23.408   3.910   8.296
   63    HH2  TRP   6           HH2      TRP   6  22.551   1.587   8.409
   64    H    GLU   7           HN       GLU   7  24.849   6.901   1.570
   65    HA   GLU   7           HA       GLU   7  26.852   5.923  -0.039
   66    HB2  GLU   7           HB2      GLU   7  25.672   8.643   0.340
   67    HB3  GLU   7           HB1      GLU   7  27.052   8.446  -0.739
   68    HG2  GLU   7           HG2      GLU   7  24.570   6.728  -0.925
   69    HG3  GLU   7           HG1      GLU   7  24.764   8.225  -1.836
   70    H    VAL   8           HN       VAL   8  27.246   7.379   3.012
   71    HA   VAL   8           HA       VAL   8  30.024   8.149   2.447
   72    HB   VAL   8           HB       VAL   8  28.633   8.531   5.087
   73   HG11  VAL   8          HG11      VAL   8  30.250  10.308   5.339
   74   HG12  VAL   8          HG12      VAL   8  30.775  10.130   3.664
   75   HG13  VAL   8          HG13      VAL   8  31.116   8.857   4.834
   76   HG21  VAL   8          HG21      VAL   8  28.575  10.373   2.672
   77   HG22  VAL   8          HG22      VAL   8  27.954  10.766   4.276
   78   HG23  VAL   8          HG23      VAL   8  27.187   9.499   3.318
   79    H    ILE   9           HN       ILE   9  28.116   5.959   4.475
   80    HA   ILE   9           HA       ILE   9  30.611   4.610   5.275
   81    HB   ILE   9           HB       ILE   9  29.653   5.216   7.275
   82   HG12  ILE   9          HG12      ILE   9  29.581   2.544   6.797
   83   HG13  ILE   9          HG11      ILE   9  29.151   3.268   8.333
   84   HG21  ILE   9          HG21      ILE   9  27.145   5.155   7.651
   85   HG22  ILE   9          HG22      ILE   9  26.990   4.880   5.913
   86   HG23  ILE   9          HG23      ILE   9  27.742   6.356   6.514
   87   HD11  ILE   9          HD11      ILE   9  27.481   1.583   7.364
   88   HD12  ILE   9          HD12      ILE   9  27.077   2.820   6.181
   89   HD13  ILE   9          HD13      ILE   9  26.824   3.130   7.894
   90    H    ALA  10           HN       ALA  10  27.272   4.071   4.206
   91    HA   ALA  10           HA       ALA  10  27.590   1.254   3.837
   92    HB1  ALA  10           HB1      ALA  10  25.385   2.357   4.110
   93    HB2  ALA  10           HB2      ALA  10  25.467   1.375   2.648
   94    HB3  ALA  10           HB3      ALA  10  25.601   3.132   2.539
   95    H    GLY  11           HN       GLY  11  27.066   3.766   1.346
   96    HA2  GLY  11           HA2      GLY  11  27.871   2.277  -0.849
   97    HA3  GLY  11           HA1      GLY  11  28.025   4.030  -0.741
   98    H    LEU  12           HN       LEU  12  29.671   3.326   1.805
   99    HA   LEU  12           HA       LEU  12  32.225   3.113   0.376
  100    HB2  LEU  12           HB2      LEU  12  31.705   5.077   1.935
  101    HB3  LEU  12           HB1      LEU  12  31.854   3.919   3.256
  102    HG   LEU  12           HG       LEU  12  34.113   3.307   1.966
  103   HD11  LEU  12          HD11      LEU  12  35.067   5.047   0.746
  104   HD12  LEU  12          HD12      LEU  12  34.044   6.272   1.499
  105   HD13  LEU  12          HD13      LEU  12  33.374   5.194   0.275
  106   HD21  LEU  12          HD21      LEU  12  35.268   4.917   3.483
  107   HD22  LEU  12          HD22      LEU  12  33.980   4.035   4.302
  108   HD23  LEU  12          HD23      LEU  12  33.718   5.703   3.791
  109    H    VAL  13           HN       VAL  13  30.175   1.543   2.709
  110    HA   VAL  13           HA       VAL  13  32.246  -0.535   3.122
  111    HB   VAL  13           HB       VAL  13  29.958   0.215   4.959
  112   HG11  VAL  13          HG11      VAL  13  32.120  -1.896   5.063
  113   HG12  VAL  13          HG12      VAL  13  30.376  -2.116   5.207
  114   HG13  VAL  13          HG13      VAL  13  31.277  -1.342   6.510
  115   HG21  VAL  13          HG21      VAL  13  32.117   1.719   4.689
  116   HG22  VAL  13          HG22      VAL  13  32.881   0.434   5.624
  117   HG23  VAL  13          HG23      VAL  13  31.518   1.324   6.299
  118    H    ALA  14           HN       ALA  14  28.694  -0.121   3.100
  119    HA   ALA  14           HA       ALA  14  27.886  -2.717   2.845
  120    HB1  ALA  14           HB1      ALA  14  25.950  -1.896   1.585
  121    HB2  ALA  14           HB2      ALA  14  26.793  -0.384   1.250
  122    HB3  ALA  14           HB3      ALA  14  26.337  -0.791   2.904
  123    H    LEU  15           HN       LEU  15  29.164  -0.632   0.273
  124    HA   LEU  15           HA       LEU  15  28.839  -2.562  -1.800
  125    HB2  LEU  15           HB2      LEU  15  29.115  -0.115  -2.215
  126    HB3  LEU  15           HB1      LEU  15  30.784  -0.241  -1.664
  127    HG   LEU  15           HG       LEU  15  31.236  -1.901  -3.461
  128   HD11  LEU  15          HD11      LEU  15  29.325  -1.731  -5.325
  129   HD12  LEU  15          HD12      LEU  15  28.305  -1.501  -3.904
  130   HD13  LEU  15          HD13      LEU  15  29.276  -2.965  -4.066
  131   HD21  LEU  15          HD21      LEU  15  30.278   0.057  -5.268
  132   HD22  LEU  15          HD22      LEU  15  31.893  -0.056  -4.568
  133   HD23  LEU  15          HD23      LEU  15  30.651   0.907  -3.768
  134    H    LEU  16           HN       LEU  16  31.337  -1.826   0.539
  135    HA   LEU  16           HA       LEU  16  33.189  -3.754  -0.636
  136    HB2  LEU  16           HB2      LEU  16  33.544  -2.250   1.954
  137    HB3  LEU  16           HB1      LEU  16  34.789  -2.947   0.918
  138    HG   LEU  16           HG       LEU  16  32.997  -0.597   0.249
  139   HD11  LEU  16          HD11      LEU  16  36.015  -0.695   0.403
  140   HD12  LEU  16          HD12      LEU  16  35.022  -0.307   1.809
  141   HD13  LEU  16          HD13      LEU  16  34.970   0.727   0.380
  142   HD21  LEU  16          HD21      LEU  16  33.283  -1.704  -1.808
  143   HD22  LEU  16          HD22      LEU  16  34.907  -2.252  -1.393
  144   HD23  LEU  16          HD23      LEU  16  34.622  -0.557  -1.788
  145    H    THR  17           HN       THR  17  30.509  -3.940   1.218
  146    HA   THR  17           HA       THR  17  31.506  -6.272   2.736
  147    HB   THR  17           HB       THR  17  29.646  -4.072   3.500
  148    HG1  THR  17           HG1      THR  17  31.262  -3.869   4.791
  149   HG21  THR  17          HG21      THR  17  28.120  -5.857   3.797
  150   HG22  THR  17          HG22      THR  17  28.869  -5.658   5.380
  151   HG23  THR  17          HG23      THR  17  29.390  -6.964   4.318
  152    H    PHE  18           HN       PHE  18  28.391  -4.930   1.620
  153    HA   PHE  18           HA       PHE  18  26.896  -7.202   1.481
  154    HB2  PHE  18           HB2      PHE  18  26.335  -4.750   0.786
  155    HB3  PHE  18           HB1      PHE  18  26.805  -5.286  -0.829
  156    HD1  PHE  18           HD1      PHE  18  24.457  -5.870   1.984
  157    HD2  PHE  18           HD2      PHE  18  25.439  -6.813  -2.090
  158    HE1  PHE  18           HE1      PHE  18  22.249  -6.960   1.703
  159    HE2  PHE  18           HE2      PHE  18  23.231  -7.904  -2.370
  160    HZ   PHE  18           HZ       PHE  18  21.635  -7.978  -0.473
  161    H    LEU  19           HN       LEU  19  29.246  -6.094  -0.941
  162    HA   LEU  19           HA       LEU  19  28.743  -8.272  -2.739
  163    HB2  LEU  19           HB2      LEU  19  30.863  -6.146  -2.532
  164    HB3  LEU  19           HB1      LEU  19  31.015  -7.454  -3.702
  165    HG   LEU  19           HG       LEU  19  29.897  -5.376  -4.606
  166   HD11  LEU  19          HD11      LEU  19  27.679  -7.258  -4.808
  167   HD12  LEU  19          HD12      LEU  19  29.232  -8.066  -5.016
  168   HD13  LEU  19          HD13      LEU  19  28.796  -6.712  -6.056
  169   HD21  LEU  19          HD21      LEU  19  27.550  -6.223  -2.904
  170   HD22  LEU  19          HD22      LEU  19  27.734  -4.743  -3.842
  171   HD23  LEU  19          HD23      LEU  19  28.687  -4.984  -2.377
  172    H    ALA  20           HN       ALA  20  30.675  -7.850   0.086
  173    HA   ALA  20           HA       ALA  20  32.454 -10.070  -0.536
  174    HB1  ALA  20           HB1      ALA  20  33.766  -9.084   0.986
  175    HB2  ALA  20           HB2      ALA  20  32.531  -9.298   2.227
  176    HB3  ALA  20           HB3      ALA  20  32.526  -7.851   1.219
  177    H    PHE  21           HN       PHE  21  29.884  -9.344   1.817
  178    HA   PHE  21           HA       PHE  21  29.846 -12.063   2.801
  179    HB2  PHE  21           HB2      PHE  21  28.115  -9.645   3.326
  180    HB3  PHE  21           HB1      PHE  21  27.823 -11.218   4.069
  181    HD1  PHE  21           HD2      PHE  21  30.612  -8.777   3.489
  182    HD2  PHE  21           HD1      PHE  21  28.873 -11.712   6.101
  183    HE1  PHE  21           HE2      PHE  21  32.350  -8.292   5.191
  184    HE2  PHE  21           HE1      PHE  21  30.611 -11.227   7.802
  185    HZ   PHE  21           HZ       PHE  21  32.349  -9.517   7.345
  186    H    GLY  22           HN       GLY  22  27.941 -10.063   0.613
  187    HA2  GLY  22           HA2      GLY  22  25.744 -11.803   0.279
  188    HA3  GLY  22           HA1      GLY  22  26.262 -10.580  -0.874
  189    H    PHE  23           HN       PHE  23  28.663 -11.361  -1.732
  190    HA   PHE  23           HA       PHE  23  28.235 -13.219  -3.685
  191    HB2  PHE  23           HB2      PHE  23  30.231 -12.151  -4.016
  192    HB3  PHE  23           HB1      PHE  23  30.659 -12.197  -2.306
  193    HD1  PHE  23           HD1      PHE  23  30.603 -14.111  -5.461
  194    HD2  PHE  23           HD2      PHE  23  31.765 -14.117  -1.326
  195    HE1  PHE  23           HE1      PHE  23  32.002 -16.118  -5.856
  196    HE2  PHE  23           HE2      PHE  23  33.164 -16.122  -1.721
  197    HZ   PHE  23           HZ       PHE  23  33.285 -17.125  -3.987
  198    H    TRP  24           HN       TRP  24  29.278 -13.803  -0.364
  199    HA   TRP  24           HA       TRP  24  29.548 -16.660  -0.801
  200    HB2  TRP  24           HB2      TRP  24  31.105 -15.749   0.736
  201    HB3  TRP  24           HB1      TRP  24  29.846 -14.873   1.607
  202    HD1  TRP  24           HD1      TRP  24  30.473 -18.577   0.666
  203    HE1  TRP  24           HE1      TRP  24  29.907 -20.031   2.721
  204    HE3  TRP  24           HE3      TRP  24  29.023 -14.945   3.927
  205    HZ2  TRP  24           HZ2      TRP  24  28.964 -19.690   5.395
  206    HZ3  TRP  24           HZ3      TRP  24  28.293 -15.529   6.228
  207    HH2  TRP  24           HH2      TRP  24  28.262 -17.897   6.962
  208    H    LEU  25           HN       LEU  25  27.710 -14.806   1.610
  209    HA   LEU  25           HA       LEU  25  26.010 -16.423   2.737
  210    HB2  LEU  25           HB2      LEU  25  25.528 -13.768   1.517
  211    HB3  LEU  25           HB1      LEU  25  24.109 -14.668   2.048
  212    HG   LEU  25           HG       LEU  25  26.514 -14.401   3.833
  213   HD11  LEU  25          HD11      LEU  25  25.475 -12.414   4.850
  214   HD12  LEU  25          HD12      LEU  25  24.195 -12.457   3.639
  215   HD13  LEU  25          HD13      LEU  25  25.856 -12.116   3.153
  216   HD21  LEU  25          HD21      LEU  25  23.767 -14.350   4.910
  217   HD22  LEU  25          HD22      LEU  25  25.157 -15.306   5.423
  218   HD23  LEU  25          HD23      LEU  25  24.180 -15.837   4.055
  219    H    PHE  26           HN       PHE  26  25.204 -15.270  -0.552
  220    HA   PHE  26           HA       PHE  26  23.037 -17.095  -0.826
  221    HB2  PHE  26           HB2      PHE  26  24.483 -15.816  -3.130
  222    HB3  PHE  26           HB1      PHE  26  22.772 -16.223  -2.990
  223    HD1  PHE  26           HD1      PHE  26  21.746 -15.153  -0.638
  224    HD2  PHE  26           HD2      PHE  26  24.902 -13.524  -3.055
  225    HE1  PHE  26           HE1      PHE  26  21.274 -12.895   0.267
  226    HE2  PHE  26           HE2      PHE  26  24.430 -11.267  -2.151
  227    HZ   PHE  26           HZ       PHE  26  22.617 -10.952  -0.489
  228    H    LYS  27           HN       LYS  27  26.073 -16.978  -2.711
  229    HA   LYS  27           HA       LYS  27  25.816 -19.444  -3.940
  230    HB2  LYS  27           HB2      LYS  27  28.262 -17.868  -3.166
  231    HB3  LYS  27           HB1      LYS  27  28.352 -19.360  -4.105
  232    HG2  LYS  27           HG2      LYS  27  27.155 -18.450  -5.909
  233    HG3  LYS  27           HG1      LYS  27  26.477 -17.153  -4.925
  234    HD2  LYS  27           HD2      LYS  27  28.336 -15.839  -5.134
  235    HD3  LYS  27           HD1      LYS  27  29.439 -17.217  -5.134
  236    HE2  LYS  27           HE2      LYS  27  29.116 -15.881  -7.351
  237    HE3  LYS  27           HE1      LYS  27  29.103 -17.644  -7.421
  238    HZ1  LYS  27           HZ1      LYS  27  26.526 -16.524  -6.848
  239    HZ2  LYS  27           HZ2      LYS  27  26.974 -17.667  -8.021
  240    HZ3  LYS  27           HZ3      LYS  27  27.140 -16.007  -8.341
  241    H    TYR  28           HN       TYR  28  26.012 -19.025  -0.663
  242    HA   TYR  28           HA       TYR  28  27.162 -21.733  -0.295
  243    HB2  TYR  28           HB2      TYR  28  28.673 -20.721   1.029
  244    HB3  TYR  28           HB1      TYR  28  27.756 -19.219   1.070
  245    HD1  TYR  28           HD2      TYR  28  27.532 -22.740   2.347
  246    HD2  TYR  28           HD1      TYR  28  26.786 -18.578   3.092
  247    HE1  TYR  28           HE2      TYR  28  26.731 -23.291   4.630
  248    HE2  TYR  28           HE1      TYR  28  25.980 -19.126   5.371
  249    HH   TYR  28           HH       TYR  28  26.326 -20.989   7.040
  250    H    LEU  29           HN       LEU  29  24.793 -19.365   0.883
  251    HA   LEU  29           HA       LEU  29  23.398 -21.489   2.345
  252    HB2  LEU  29           HB2      LEU  29  23.869 -18.969   3.097
  253    HB3  LEU  29           HB1      LEU  29  22.348 -18.700   2.250
  254    HG   LEU  29           HG       LEU  29  22.788 -20.744   4.448
  255   HD11  LEU  29          HD11      LEU  29  21.464 -18.022   4.435
  256   HD12  LEU  29          HD12      LEU  29  22.856 -18.529   5.393
  257   HD13  LEU  29          HD13      LEU  29  21.260 -19.202   5.731
  258   HD21  LEU  29          HD21      LEU  29  21.008 -21.631   3.255
  259   HD22  LEU  29          HD22      LEU  29  20.499 -20.060   2.640
  260   HD23  LEU  29          HD23      LEU  29  20.139 -20.513   4.305
  261    H    GLN  30           HN       GLN  30  22.940 -19.272  -0.365
  262    HA   GLN  30           HA       GLN  30  20.244 -20.211  -0.874
  263    HB2  GLN  30           HB2      GLN  30  20.774 -17.901  -1.404
  264    HB3  GLN  30           HB1      GLN  30  22.077 -18.413  -2.476
  265    HG2  GLN  30           HG2      GLN  30  20.632 -19.166  -4.113
  266    HG3  GLN  30           HG1      GLN  30  19.340 -19.506  -2.966
  267   HE21  GLN  30          HE21      GLN  30  20.791 -16.401  -2.503
  268   HE22  GLN  30          HE22      GLN  30  19.586 -15.490  -3.274
  269    H    LYS  31           HN       LYS  31  23.320 -21.389  -1.473
  270    HA   LYS  31           HA       LYS  31  22.364 -22.999  -3.767
  271    HB2  LYS  31           HB2      LYS  31  24.975 -21.663  -3.235
  272    HB3  LYS  31           HB1      LYS  31  25.016 -23.237  -4.026
  273    HG2  LYS  31           HG2      LYS  31  24.905 -21.410  -5.684
  274    HG3  LYS  31           HG1      LYS  31  23.464 -22.424  -5.754
  275    HD2  LYS  31           HD2      LYS  31  22.098 -20.776  -4.947
  276    HD3  LYS  31           HD1      LYS  31  23.347 -20.108  -3.896
  277    HE2  LYS  31           HE2      LYS  31  24.449 -19.060  -5.800
  278    HE3  LYS  31           HE1      LYS  31  23.313 -19.819  -6.915
  279    HZ1  LYS  31           HZ1      LYS  31  22.839 -17.442  -6.264
  280    HZ2  LYS  31           HZ2      LYS  31  22.426 -18.035  -4.727
  281    HZ3  LYS  31           HZ3      LYS  31  21.553 -18.535  -6.095
  282    H    LYS  32           HN       LYS  32  21.483 -24.296  -1.886
  283    HA   LYS  32           HA       LYS  32  23.342 -26.451  -1.333
  284    HB2  LYS  32           HB2      LYS  32  22.910 -26.394   1.122
  285    HB3  LYS  32           HB1      LYS  32  23.836 -25.006   0.550
  286    HG2  LYS  32           HG2      LYS  32  22.282 -23.663   1.467
  287    HG3  LYS  32           HG1      LYS  32  21.121 -24.277   0.289
  288    HD2  LYS  32           HD2      LYS  32  20.617 -26.176   1.820
  289    HD3  LYS  32           HD1      LYS  32  21.707 -25.470   3.014
  290    HE2  LYS  32           HE2      LYS  32  20.061 -24.119   3.735
  291    HE3  LYS  32           HE1      LYS  32  19.912 -23.426   2.121
  292    HZ1  LYS  32           HZ1      LYS  32  18.615 -25.584   1.631
  293    HZ2  LYS  32           HZ2      LYS  32  17.840 -24.327   2.472
  294    HZ3  LYS  32           HZ3      LYS  32  18.436 -25.675   3.315
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1  22.067  19.219   0.558
    2    H2   LYS   1           HT2      LYS   1  23.334  18.338  -0.152
    3    H3   LYS   1           HT3      LYS   1  23.608  19.230   1.267
    4    HA   LYS   1           HA       LYS   1  23.339  17.254   2.272
    5    HB2  LYS   1           HB2      LYS   1  20.441  17.874   1.622
    6    HB3  LYS   1           HB1      LYS   1  21.032  16.929   2.991
    7    HG2  LYS   1           HG2      LYS   1  22.437  19.115   3.487
    8    HG3  LYS   1           HG1      LYS   1  21.172  19.887   2.530
    9    HD2  LYS   1           HD2      LYS   1  20.725  18.147   4.974
   10    HD3  LYS   1           HD1      LYS   1  20.582  19.905   4.922
   11    HE2  LYS   1           HE2      LYS   1  18.883  17.891   3.424
   12    HE3  LYS   1           HE1      LYS   1  18.358  18.982   4.707
   13    HZ1  LYS   1           HZ1      LYS   1  19.021  19.579   1.914
   14    HZ2  LYS   1           HZ2      LYS   1  19.291  20.776   3.087
   15    HZ3  LYS   1           HZ3      LYS   1  17.732  20.143   2.860
   16    H    LYS   2           HN       LYS   2  24.270  15.725   0.897
   17    HA   LYS   2           HA       LYS   2  22.676  14.501  -1.207
   18    HB2  LYS   2           HB2      LYS   2  25.066  14.867  -1.583
   19    HB3  LYS   2           HB1      LYS   2  25.454  13.868  -0.184
   20    HG2  LYS   2           HG2      LYS   2  23.652  12.578  -2.135
   21    HG3  LYS   2           HG1      LYS   2  25.257  12.933  -2.767
   22    HD2  LYS   2           HD2      LYS   2  24.984  11.620  -0.071
   23    HD3  LYS   2           HD1      LYS   2  24.821  10.655  -1.534
   24    HE2  LYS   2           HE2      LYS   2  27.196  10.995  -0.418
   25    HE3  LYS   2           HE1      LYS   2  27.026  10.982  -2.173
   26    HZ1  LYS   2           HZ1      LYS   2  27.176  13.364  -0.410
   27    HZ2  LYS   2           HZ2      LYS   2  26.828  13.432  -2.070
   28    HZ3  LYS   2           HZ3      LYS   2  28.334  12.857  -1.538
   29    H    HIS   3           HN       HIS   3  21.325  12.876  -0.845
   30    HA   HIS   3           HA       HIS   3  20.164  11.265   0.355
   31    HB2  HIS   3           HB2      HIS   3  22.026  10.094  -0.918
   32    HB3  HIS   3           HB1      HIS   3  22.918  10.051   0.604
   33    HD2  HIS   3           HD2      HIS   3  22.497   7.158   0.581
   34    HE1  HIS   3           HE1      HIS   3  18.400   7.455   1.550
   35    HE2  HIS   3           HE2      HIS   3  20.367   5.862   1.356
   36    H    THR   4           HN       THR   4  22.181   9.675   2.252
   37    HA   THR   4           HA       THR   4  21.765  11.421   4.605
   38    HB   THR   4           HB       THR   4  20.139   9.688   4.809
   39    HG1  THR   4           HG1      THR   4  20.747   9.196   6.751
   40   HG21  THR   4          HG21      THR   4  20.420   7.801   3.625
   41   HG22  THR   4          HG22      THR   4  21.595   7.277   4.830
   42   HG23  THR   4          HG23      THR   4  22.133   8.145   3.392
   43    H    ILE   5           HN       ILE   5  23.056   8.384   5.284
   44    HA   ILE   5           HA       ILE   5  25.814   9.454   5.268
   45    HB   ILE   5           HB       ILE   5  26.090   7.835   7.260
   46   HG12  ILE   5          HG12      ILE   5  23.273   8.318   7.960
   47   HG13  ILE   5          HG11      ILE   5  23.486   7.184   6.626
   48   HG21  ILE   5          HG21      ILE   5  25.083   9.594   8.810
   49   HG22  ILE   5          HG22      ILE   5  24.508  10.410   7.357
   50   HG23  ILE   5          HG23      ILE   5  26.239  10.193   7.620
   51   HD11  ILE   5          HD11      ILE   5  23.502   6.167   8.970
   52   HD12  ILE   5          HD12      ILE   5  25.059   6.964   9.195
   53   HD13  ILE   5          HD13      ILE   5  24.865   5.747   7.933
   54    H    TRP   6           HN       TRP   6  23.667   6.839   4.521
   55    HA   TRP   6           HA       TRP   6  25.230   4.623   4.287
   56    HB2  TRP   6           HB2      TRP   6  22.866   5.632   2.968
   57    HB3  TRP   6           HB1      TRP   6  23.873   4.738   1.829
   58    HD1  TRP   6           HD1      TRP   6  22.733   2.450   1.707
   59    HE1  TRP   6           HE1      TRP   6  22.098   0.633   3.415
   60    HE3  TRP   6           HE3      TRP   6  23.729   4.941   6.042
   61    HZ2  TRP   6           HZ2      TRP   6  22.023   0.284   6.247
   62    HZ3  TRP   6           HZ3      TRP   6  23.368   3.846   8.237
   63    HH2  TRP   6           HH2      TRP   6  22.517   1.519   8.345
   64    H    GLU   7           HN       GLU   7  24.838   6.894   1.557
   65    HA   GLU   7           HA       GLU   7  26.854   5.924  -0.054
   66    HB2  GLU   7           HB2      GLU   7  25.362   8.413   0.194
   67    HB3  GLU   7           HB1      GLU   7  26.987   8.661  -0.444
   68    HG2  GLU   7           HG2      GLU   7  25.112   6.537  -1.505
   69    HG3  GLU   7           HG1      GLU   7  25.198   8.162  -2.184
   70    H    VAL   8           HN       VAL   8  27.214   7.348   3.003
   71    HA   VAL   8           HA       VAL   8  29.986   8.164   2.466
   72    HB   VAL   8           HB       VAL   8  28.567   8.518   5.094
   73   HG11  VAL   8          HG11      VAL   8  30.451  10.490   3.918
   74   HG12  VAL   8          HG12      VAL   8  31.141   8.940   4.400
   75   HG13  VAL   8          HG13      VAL   8  30.296   9.936   5.585
   76   HG21  VAL   8          HG21      VAL   8  27.114   9.466   3.328
   77   HG22  VAL   8          HG22      VAL   8  28.488  10.356   2.678
   78   HG23  VAL   8          HG23      VAL   8  27.862  10.746   4.279
   79    H    ILE   9           HN       ILE   9  28.080   5.935   4.454
   80    HA   ILE   9           HA       ILE   9  30.585   4.610   5.271
   81    HB   ILE   9           HB       ILE   9  29.609   5.218   7.266
   82   HG12  ILE   9          HG12      ILE   9  29.592   2.545   6.791
   83   HG13  ILE   9          HG11      ILE   9  29.147   3.262   8.325
   84   HG21  ILE   9          HG21      ILE   9  27.101   5.106   7.637
   85   HG22  ILE   9          HG22      ILE   9  26.955   4.823   5.898
   86   HG23  ILE   9          HG23      ILE   9  27.676   6.315   6.496
   87   HD11  ILE   9          HD11      ILE   9  26.822   3.077   7.885
   88   HD12  ILE   9          HD12      ILE   9  27.510   1.542   7.360
   89   HD13  ILE   9          HD13      ILE   9  27.084   2.767   6.173
   90    H    ALA  10           HN       ALA  10  27.248   4.039   4.202
   91    HA   ALA  10           HA       ALA  10  27.601   1.227   3.829
   92    HB1  ALA  10           HB1      ALA  10  25.475   1.325   2.640
   93    HB2  ALA  10           HB2      ALA  10  25.583   3.082   2.545
   94    HB3  ALA  10           HB3      ALA  10  25.382   2.293   4.110
   95    H    GLY  11           HN       GLY  11  27.049   3.739   1.341
   96    HA2  GLY  11           HA2      GLY  11  27.857   2.261  -0.859
   97    HA3  GLY  11           HA1      GLY  11  28.009   4.016  -0.744
   98    H    LEU  12           HN       LEU  12  29.666   3.325   1.792
   99    HA   LEU  12           HA       LEU  12  32.212   3.113   0.353
  100    HB2  LEU  12           HB2      LEU  12  31.697   5.075   1.914
  101    HB3  LEU  12           HB1      LEU  12  31.850   3.918   3.236
  102    HG   LEU  12           HG       LEU  12  34.106   3.306   1.947
  103   HD11  LEU  12          HD11      LEU  12  33.408   5.126   0.211
  104   HD12  LEU  12          HD12      LEU  12  35.082   5.082   0.763
  105   HD13  LEU  12          HD13      LEU  12  33.965   6.270   1.433
  106   HD21  LEU  12          HD21      LEU  12  34.041   4.021   4.263
  107   HD22  LEU  12          HD22      LEU  12  33.664   5.676   3.787
  108   HD23  LEU  12          HD23      LEU  12  35.250   4.995   3.426
  109    H    VAL  13           HN       VAL  13  30.180   1.540   2.705
  110    HA   VAL  13           HA       VAL  13  32.264  -0.528   3.113
  111    HB   VAL  13           HB       VAL  13  29.962   0.210   4.937
  112   HG11  VAL  13          HG11      VAL  13  30.250  -1.884   5.723
  113   HG12  VAL  13          HG12      VAL  13  31.835  -1.359   6.289
  114   HG13  VAL  13          HG13      VAL  13  31.674  -2.138   4.714
  115   HG21  VAL  13          HG21      VAL  13  31.521   1.302   6.299
  116   HG22  VAL  13          HG22      VAL  13  32.111   1.719   4.691
  117   HG23  VAL  13          HG23      VAL  13  32.885   0.427   5.607
  118    H    ALA  14           HN       ALA  14  28.709  -0.140   3.069
  119    HA   ALA  14           HA       ALA  14  27.914  -2.737   2.808
  120    HB1  ALA  14           HB1      ALA  14  26.838  -0.386   1.230
  121    HB2  ALA  14           HB2      ALA  14  26.336  -0.856   2.854
  122    HB3  ALA  14           HB3      ALA  14  26.001  -1.917   1.485
  123    H    LEU  15           HN       LEU  15  29.187  -0.653   0.233
  124    HA   LEU  15           HA       LEU  15  28.891  -2.585  -1.837
  125    HB2  LEU  15           HB2      LEU  15  29.171  -0.135  -2.242
  126    HB3  LEU  15           HB1      LEU  15  30.838  -0.267  -1.686
  127    HG   LEU  15           HG       LEU  15  31.288  -1.927  -3.484
  128   HD11  LEU  15          HD11      LEU  15  29.328  -2.978  -4.104
  129   HD12  LEU  15          HD12      LEU  15  29.384  -1.735  -5.355
  130   HD13  LEU  15          HD13      LEU  15  28.363  -1.512  -3.936
  131   HD21  LEU  15          HD21      LEU  15  31.612   0.567  -3.778
  132   HD22  LEU  15          HD22      LEU  15  30.049   0.605  -4.593
  133   HD23  LEU  15          HD23      LEU  15  31.380  -0.325  -5.281
  134    H    LEU  16           HN       LEU  16  31.371  -1.848   0.519
  135    HA   LEU  16           HA       LEU  16  33.238  -3.765  -0.640
  136    HB2  LEU  16           HB2      LEU  16  33.555  -2.265   1.956
  137    HB3  LEU  16           HB1      LEU  16  34.818  -2.961   0.938
  138    HG   LEU  16           HG       LEU  16  33.027  -0.618   0.240
  139   HD11  LEU  16          HD11      LEU  16  35.014  -0.300   1.828
  140   HD12  LEU  16          HD12      LEU  16  35.000   0.712   0.383
  141   HD13  LEU  16          HD13      LEU  16  36.041  -0.710   0.453
  142   HD21  LEU  16          HD21      LEU  16  34.968  -2.267  -1.371
  143   HD22  LEU  16          HD22      LEU  16  34.679  -0.575  -1.775
  144   HD23  LEU  16          HD23      LEU  16  33.346  -1.729  -1.811
  145    H    THR  17           HN       THR  17  30.559  -3.922   1.263
  146    HA   THR  17           HA       THR  17  31.553  -6.275   2.753
  147    HB   THR  17           HB       THR  17  29.658  -4.095   3.502
  148    HG1  THR  17           HG1      THR  17  30.809  -4.280   5.404
  149   HG21  THR  17          HG21      THR  17  29.452  -6.991   4.318
  150   HG22  THR  17          HG22      THR  17  28.163  -5.904   3.797
  151   HG23  THR  17          HG23      THR  17  28.906  -5.695   5.383
  152    H    PHE  18           HN       PHE  18  28.436  -4.952   1.618
  153    HA   PHE  18           HA       PHE  18  26.956  -7.230   1.458
  154    HB2  PHE  18           HB2      PHE  18  26.391  -4.779   0.756
  155    HB3  PHE  18           HB1      PHE  18  26.876  -5.315  -0.852
  156    HD1  PHE  18           HD2      PHE  18  24.498  -5.880   1.932
  157    HD2  PHE  18           HD1      PHE  18  25.538  -6.871  -2.115
  158    HE1  PHE  18           HE2      PHE  18  22.295  -6.979   1.636
  159    HE2  PHE  18           HE1      PHE  18  23.336  -7.970  -2.411
  160    HZ   PHE  18           HZ       PHE  18  21.714  -8.024  -0.537
  161    H    LEU  19           HN       LEU  19  29.299  -6.092  -0.957
  162    HA   LEU  19           HA       LEU  19  28.840  -8.269  -2.762
  163    HB2  LEU  19           HB2      LEU  19  30.942  -6.131  -2.517
  164    HB3  LEU  19           HB1      LEU  19  31.121  -7.432  -3.690
  165    HG   LEU  19           HG       LEU  19  29.997  -5.355  -4.597
  166   HD11  LEU  19          HD11      LEU  19  28.943  -6.696  -6.075
  167   HD12  LEU  19          HD12      LEU  19  27.802  -7.253  -4.852
  168   HD13  LEU  19          HD13      LEU  19  29.363  -8.052  -5.029
  169   HD21  LEU  19          HD21      LEU  19  27.812  -4.755  -3.864
  170   HD22  LEU  19          HD22      LEU  19  28.749  -4.987  -2.387
  171   HD23  LEU  19          HD23      LEU  19  27.635  -6.241  -2.933
  172    H    ALA  20           HN       ALA  20  30.729  -7.859   0.093
  173    HA   ALA  20           HA       ALA  20  32.526 -10.066  -0.524
  174    HB1  ALA  20           HB1      ALA  20  33.822  -9.050   0.992
  175    HB2  ALA  20           HB2      ALA  20  32.602  -9.324   2.237
  176    HB3  ALA  20           HB3      ALA  20  32.552  -7.855   1.261
  177    H    PHE  21           HN       PHE  21  29.935  -9.353   1.804
  178    HA   PHE  21           HA       PHE  21  29.895 -12.072   2.785
  179    HB2  PHE  21           HB2      PHE  21  28.166  -9.651   3.309
  180    HB3  PHE  21           HB1      PHE  21  27.865 -11.225   4.047
  181    HD1  PHE  21           HD1      PHE  21  30.674  -8.801   3.481
  182    HD2  PHE  21           HD2      PHE  21  28.897 -11.718   6.086
  183    HE1  PHE  21           HE1      PHE  21  32.406  -8.330   5.190
  184    HE2  PHE  21           HE2      PHE  21  30.628 -11.246   7.795
  185    HZ   PHE  21           HZ       PHE  21  32.383  -9.553   7.346
  186    H    GLY  22           HN       GLY  22  27.945 -10.046   0.646
  187    HA2  GLY  22           HA2      GLY  22  25.769 -11.792   0.283
  188    HA3  GLY  22           HA1      GLY  22  26.289 -10.566  -0.865
  189    H    PHE  23           HN       PHE  23  28.700 -11.353  -1.712
  190    HA   PHE  23           HA       PHE  23  28.268 -13.205  -3.675
  191    HB2  PHE  23           HB2      PHE  23  30.262 -12.132  -4.005
  192    HB3  PHE  23           HB1      PHE  23  30.693 -12.182  -2.296
  193    HD1  PHE  23           HD1      PHE  23  30.619 -14.096  -5.455
  194    HD2  PHE  23           HD2      PHE  23  31.811 -14.098  -1.328
  195    HE1  PHE  23           HE1      PHE  23  32.015 -16.103  -5.859
  196    HE2  PHE  23           HE2      PHE  23  33.208 -16.105  -1.733
  197    HZ   PHE  23           HZ       PHE  23  33.312 -17.109  -3.998
  198    H    TRP  24           HN       TRP  24  29.178 -13.786  -0.332
  199    HA   TRP  24           HA       TRP  24  29.501 -16.646  -0.781
  200    HB2  TRP  24           HB2      TRP  24  31.061 -15.746   0.755
  201    HB3  TRP  24           HB1      TRP  24  29.809 -14.858   1.622
  202    HD1  TRP  24           HD1      TRP  24  30.415 -18.566   0.694
  203    HE1  TRP  24           HE1      TRP  24  29.836 -20.011   2.751
  204    HE3  TRP  24           HE3      TRP  24  28.974 -14.919   3.940
  205    HZ2  TRP  24           HZ2      TRP  24  28.886 -19.659   5.422
  206    HZ3  TRP  24           HZ3      TRP  24  28.233 -15.493   6.239
  207    HH2  TRP  24           HH2      TRP  24  28.187 -17.858   6.980
  208    H    LEU  25           HN       LEU  25  27.667 -14.778   1.624
  209    HA   LEU  25           HA       LEU  25  25.964 -16.397   2.751
  210    HB2  LEU  25           HB2      LEU  25  25.510 -13.730   1.554
  211    HB3  LEU  25           HB1      LEU  25  24.073 -14.624   2.053
  212    HG   LEU  25           HG       LEU  25  26.453 -14.399   3.879
  213   HD11  LEU  25          HD11      LEU  25  25.841 -12.100   3.223
  214   HD12  LEU  25          HD12      LEU  25  25.403 -12.415   4.901
  215   HD13  LEU  25          HD13      LEU  25  24.160 -12.427   3.649
  216   HD21  LEU  25          HD21      LEU  25  24.114 -15.822   4.049
  217   HD22  LEU  25          HD22      LEU  25  23.680 -14.336   4.894
  218   HD23  LEU  25          HD23      LEU  25  25.055 -15.292   5.443
  219    H    PHE  26           HN       PHE  26  25.201 -15.247  -0.546
  220    HA   PHE  26           HA       PHE  26  23.014 -17.052  -0.835
  221    HB2  PHE  26           HB2      PHE  26  24.492 -15.788  -3.127
  222    HB3  PHE  26           HB1      PHE  26  22.777 -16.175  -3.002
  223    HD1  PHE  26           HD2      PHE  26  21.754 -15.092  -0.647
  224    HD2  PHE  26           HD1      PHE  26  24.925 -13.500  -3.068
  225    HE1  PHE  26           HE2      PHE  26  21.298 -12.826   0.246
  226    HE2  PHE  26           HE1      PHE  26  24.467 -11.233  -2.175
  227    HZ   PHE  26           HZ       PHE  26  22.656 -10.898  -0.517
  228    H    LYS  27           HN       LYS  27  26.062 -16.954  -2.698
  229    HA   LYS  27           HA       LYS  27  25.801 -19.421  -3.923
  230    HB2  LYS  27           HB2      LYS  27  28.242 -17.841  -3.149
  231    HB3  LYS  27           HB1      LYS  27  28.343 -19.342  -4.071
  232    HG2  LYS  27           HG2      LYS  27  27.162 -18.454  -5.895
  233    HG3  LYS  27           HG1      LYS  27  26.463 -17.157  -4.929
  234    HD2  LYS  27           HD2      LYS  27  28.317 -15.828  -5.122
  235    HD3  LYS  27           HD1      LYS  27  29.429 -17.200  -5.114
  236    HE2  LYS  27           HE2      LYS  27  29.103 -15.865  -7.335
  237    HE3  LYS  27           HE1      LYS  27  29.114 -17.628  -7.401
  238    HZ1  LYS  27           HZ1      LYS  27  26.519 -16.529  -6.847
  239    HZ2  LYS  27           HZ2      LYS  27  26.986 -17.683  -8.005
  240    HZ3  LYS  27           HZ3      LYS  27  27.138 -16.025  -8.343
  241    H    TYR  28           HN       TYR  28  25.946 -19.019  -0.651
  242    HA   TYR  28           HA       TYR  28  27.099 -21.722  -0.273
  243    HB2  TYR  28           HB2      TYR  28  28.606 -20.717   1.060
  244    HB3  TYR  28           HB1      TYR  28  27.698 -19.209   1.093
  245    HD1  TYR  28           HD2      TYR  28  27.439 -22.726   2.375
  246    HD2  TYR  28           HD1      TYR  28  26.728 -18.556   3.109
  247    HE1  TYR  28           HE2      TYR  28  26.627 -23.266   4.657
  248    HE2  TYR  28           HE1      TYR  28  25.912 -19.092   5.388
  249    HH   TYR  28           HH       TYR  28  25.975 -20.773   7.011
  250    H    LEU  29           HN       LEU  29  24.744 -19.342   0.914
  251    HA   LEU  29           HA       LEU  29  23.327 -21.456   2.368
  252    HB2  LEU  29           HB2      LEU  29  23.801 -18.930   3.105
  253    HB3  LEU  29           HB1      LEU  29  22.282 -18.668   2.252
  254    HG   LEU  29           HG       LEU  29  22.721 -20.690   4.470
  255   HD11  LEU  29          HD11      LEU  29  22.756 -18.469   5.398
  256   HD12  LEU  29          HD12      LEU  29  21.155 -19.142   5.713
  257   HD13  LEU  29          HD13      LEU  29  21.381 -17.976   4.409
  258   HD21  LEU  29          HD21      LEU  29  20.076 -20.500   4.308
  259   HD22  LEU  29          HD22      LEU  29  20.962 -21.603   3.257
  260   HD23  LEU  29          HD23      LEU  29  20.432 -20.036   2.646
  261    H    GLN  30           HN       GLN  30  22.884 -19.230  -0.341
  262    HA   GLN  30           HA       GLN  30  20.193 -20.159  -0.870
  263    HB2  GLN  30           HB2      GLN  30  20.752 -17.855  -1.405
  264    HB3  GLN  30           HB1      GLN  30  22.056 -18.388  -2.468
  265    HG2  GLN  30           HG2      GLN  30  20.615 -19.125  -4.112
  266    HG3  GLN  30           HG1      GLN  30  19.312 -19.453  -2.973
  267   HE21  GLN  30          HE21      GLN  30  20.800 -16.362  -2.513
  268   HE22  GLN  30          HE22      GLN  30  19.605 -15.438  -3.287
  269    H    LYS  31           HN       LYS  31  23.275 -21.341  -1.451
  270    HA   LYS  31           HA       LYS  31  22.328 -22.973  -3.732
  271    HB2  LYS  31           HB2      LYS  31  24.940 -21.643  -3.185
  272    HB3  LYS  31           HB1      LYS  31  24.979 -23.221  -3.971
  273    HG2  LYS  31           HG2      LYS  31  24.888 -21.385  -5.629
  274    HG3  LYS  31           HG1      LYS  31  23.454 -22.409  -5.718
  275    HD2  LYS  31           HD2      LYS  31  22.067 -20.773  -4.917
  276    HD3  LYS  31           HD1      LYS  31  23.307 -20.087  -3.866
  277    HE2  LYS  31           HE2      LYS  31  24.287 -18.857  -5.618
  278    HE3  LYS  31           HE1      LYS  31  23.546 -19.864  -6.861
  279    HZ1  LYS  31           HZ1      LYS  31  22.169 -17.929  -5.083
  280    HZ2  LYS  31           HZ2      LYS  31  21.367 -18.996  -6.136
  281    HZ3  LYS  31           HZ3      LYS  31  22.391 -17.792  -6.759
  282    H    LYS  32           HN       LYS  32  21.430 -24.228  -1.815
  283    HA   LYS  32           HA       LYS  32  23.274 -26.391  -1.229
  284    HB2  LYS  32           HB2      LYS  32  22.849 -26.304   1.213
  285    HB3  LYS  32           HB1      LYS  32  23.734 -24.891   0.635
  286    HG2  LYS  32           HG2      LYS  32  22.141 -23.630   1.614
  287    HG3  LYS  32           HG1      LYS  32  21.046 -24.182   0.347
  288    HD2  LYS  32           HD2      LYS  32  20.405 -26.117   1.731
  289    HD3  LYS  32           HD1      LYS  32  21.505 -25.577   3.000
  290    HE2  LYS  32           HE2      LYS  32  19.793 -23.394   2.220
  291    HE3  LYS  32           HE1      LYS  32  18.809 -24.801   2.621
  292    HZ1  LYS  32           HZ1      LYS  32  20.988 -24.386   4.441
  293    HZ2  LYS  32           HZ2      LYS  32  19.340 -24.644   4.762
  294    HZ3  LYS  32           HZ3      LYS  32  19.905 -23.082   4.408
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1  21.692  15.846  -5.635
    2    H2   LYS   1           HT2      LYS   1  21.824  14.209  -5.199
    3    H3   LYS   1           HT3      LYS   1  23.179  15.227  -5.106
    4    HA   LYS   1           HA       LYS   1  22.091  16.535  -3.376
    5    HB2  LYS   1           HB2      LYS   1  20.062  15.257  -2.337
    6    HB3  LYS   1           HB1      LYS   1  19.790  16.280  -3.745
    7    HG2  LYS   1           HG2      LYS   1  20.534  13.420  -4.212
    8    HG3  LYS   1           HG1      LYS   1  18.897  13.766  -3.662
    9    HD2  LYS   1           HD2      LYS   1  19.943  15.445  -5.896
   10    HD3  LYS   1           HD1      LYS   1  19.565  13.765  -6.267
   11    HE2  LYS   1           HE2      LYS   1  17.604  15.229  -6.635
   12    HE3  LYS   1           HE1      LYS   1  17.300  14.055  -5.356
   13    HZ1  LYS   1           HZ1      LYS   1  16.620  16.381  -4.836
   14    HZ2  LYS   1           HZ2      LYS   1  18.264  16.809  -4.843
   15    HZ3  LYS   1           HZ3      LYS   1  17.681  15.688  -3.708
   16    H    LYS   2           HN       LYS   2  22.927  13.319  -4.132
   17    HA   LYS   2           HA       LYS   2  24.065  11.683  -2.995
   18    HB2  LYS   2           HB2      LYS   2  25.022  14.193  -1.999
   19    HB3  LYS   2           HB1      LYS   2  24.956  13.040  -0.666
   20    HG2  LYS   2           HG2      LYS   2  26.242  12.471  -3.354
   21    HG3  LYS   2           HG1      LYS   2  27.128  12.972  -1.912
   22    HD2  LYS   2           HD2      LYS   2  25.379  10.787  -1.239
   23    HD3  LYS   2           HD1      LYS   2  26.366  10.339  -2.631
   24    HE2  LYS   2           HE2      LYS   2  27.421  11.477  -0.026
   25    HE3  LYS   2           HE1      LYS   2  27.511   9.784  -0.513
   26    HZ1  LYS   2           HZ1      LYS   2  28.509  11.561  -2.520
   27    HZ2  LYS   2           HZ2      LYS   2  29.240  10.195  -1.824
   28    HZ3  LYS   2           HZ3      LYS   2  29.360  11.709  -1.060
   29    H    HIS   3           HN       HIS   3  23.160  10.080  -1.895
   30    HA   HIS   3           HA       HIS   3  20.840  10.262  -0.387
   31    HB2  HIS   3           HB2      HIS   3  21.925   8.175  -1.363
   32    HB3  HIS   3           HB1      HIS   3  22.961   8.162   0.064
   33    HD2  HIS   3           HD2      HIS   3  21.590   5.826   1.048
   34    HE1  HIS   3           HE1      HIS   3  17.951   7.826   1.803
   35    HE2  HIS   3           HE2      HIS   3  19.240   5.672   2.175
   36    H    THR   4           HN       THR   4  20.949   9.189   2.009
   37    HA   THR   4           HA       THR   4  21.680  11.237   3.745
   38    HB   THR   4           HB       THR   4  20.096   9.642   4.517
   39    HG1  THR   4           HG1      THR   4  21.014   9.066   6.458
   40   HG21  THR   4          HG21      THR   4  21.475   7.251   4.946
   41   HG22  THR   4          HG22      THR   4  21.976   7.763   3.334
   42   HG23  THR   4          HG23      THR   4  20.264   7.550   3.700
   43    H    ILE   5           HN       ILE   5  23.046   8.414   4.986
   44    HA   ILE   5           HA       ILE   5  25.774   9.486   4.588
   45    HB   ILE   5           HB       ILE   5  26.215   8.123   6.740
   46   HG12  ILE   5          HG12      ILE   5  23.426   8.655   7.535
   47   HG13  ILE   5          HG11      ILE   5  23.604   7.347   6.365
   48   HG21  ILE   5          HG21      ILE   5  24.508  10.630   6.739
   49   HG22  ILE   5          HG22      ILE   5  26.269  10.561   6.675
   50   HG23  ILE   5          HG23      ILE   5  25.421  10.040   8.130
   51   HD11  ILE   5          HD11      ILE   5  25.139   6.174   7.787
   52   HD12  ILE   5          HD12      ILE   5  23.761   6.631   8.789
   53   HD13  ILE   5          HD13      ILE   5  25.266   7.548   8.882
   54    H    TRP   6           HN       TRP   6  23.663   6.744   4.339
   55    HA   TRP   6           HA       TRP   6  25.270   4.552   4.269
   56    HB2  TRP   6           HB2      TRP   6  22.796   5.341   2.999
   57    HB3  TRP   6           HB1      TRP   6  23.750   4.333   1.912
   58    HD1  TRP   6           HD1      TRP   6  22.667   2.029   2.147
   59    HE1  TRP   6           HE1      TRP   6  22.195   0.422   4.101
   60    HE3  TRP   6           HE3      TRP   6  23.876   5.051   6.071
   61    HZ2  TRP   6           HZ2      TRP   6  22.316   0.422   6.953
   62    HZ3  TRP   6           HZ3      TRP   6  23.690   4.226   8.401
   63    HH2  TRP   6           HH2      TRP   6  22.912   1.913   8.848
   64    H    GLU   7           HN       GLU   7  24.590   6.346   1.261
   65    HA   GLU   7           HA       GLU   7  26.545   5.276  -0.330
   66    HB2  GLU   7           HB2      GLU   7  25.378   8.041  -0.207
   67    HB3  GLU   7           HB1      GLU   7  26.583   7.613  -1.421
   68    HG2  GLU   7           HG2      GLU   7  25.145   5.718  -2.145
   69    HG3  GLU   7           HG1      GLU   7  23.927   6.222  -0.975
   70    H    VAL   8           HN       VAL   8  27.049   7.150   2.479
   71    HA   VAL   8           HA       VAL   8  29.755   7.923   1.646
   72    HB   VAL   8           HB       VAL   8  28.537   8.581   4.317
   73   HG11  VAL   8          HG11      VAL   8  30.997   8.961   3.689
   74   HG12  VAL   8          HG12      VAL   8  30.111  10.359   4.297
   75   HG13  VAL   8          HG13      VAL   8  30.403  10.185   2.567
   76   HG21  VAL   8          HG21      VAL   8  26.909   9.250   2.563
   77   HG22  VAL   8          HG22      VAL   8  28.194  10.102   1.710
   78   HG23  VAL   8          HG23      VAL   8  27.672  10.658   3.300
   79    H    ILE   9           HN       ILE   9  28.066   5.929   4.036
   80    HA   ILE   9           HA       ILE   9  30.661   4.767   4.820
   81    HB   ILE   9           HB       ILE   9  29.822   5.598   6.794
   82   HG12  ILE   9          HG12      ILE   9  29.826   2.887   6.660
   83   HG13  ILE   9          HG11      ILE   9  29.474   3.785   8.121
   84   HG21  ILE   9          HG21      ILE   9  27.349   5.502   7.363
   85   HG22  ILE   9          HG22      ILE   9  27.085   5.008   5.689
   86   HG23  ILE   9          HG23      ILE   9  27.816   6.571   6.047
   87   HD11  ILE   9          HD11      ILE   9  27.131   3.516   7.876
   88   HD12  ILE   9          HD12      ILE   9  27.812   1.937   7.494
   89   HD13  ILE   9          HD13      ILE   9  27.278   3.000   6.201
   90    H    ALA  10           HN       ALA  10  27.277   3.998   4.078
   91    HA   ALA  10           HA       ALA  10  27.677   1.169   4.040
   92    HB1  ALA  10           HB1      ALA  10  25.545   2.820   2.660
   93    HB2  ALA  10           HB2      ALA  10  25.454   2.217   4.316
   94    HB3  ALA  10           HB3      ALA  10  25.485   1.084   2.967
   95    H    GLY  11           HN       GLY  11  26.933   3.341   1.297
   96    HA2  GLY  11           HA2      GLY  11  27.644   1.607  -0.745
   97    HA3  GLY  11           HA1      GLY  11  27.754   3.362  -0.864
   98    H    LEU  12           HN       LEU  12  29.570   3.004   1.647
   99    HA   LEU  12           HA       LEU  12  32.034   2.673   0.092
  100    HB2  LEU  12           HB2      LEU  12  31.570   4.812   1.406
  101    HB3  LEU  12           HB1      LEU  12  31.802   3.845   2.863
  102    HG   LEU  12           HG       LEU  12  33.982   3.132   1.333
  103   HD11  LEU  12          HD11      LEU  12  33.673   6.131   1.070
  104   HD12  LEU  12          HD12      LEU  12  33.280   5.016  -0.237
  105   HD13  LEU  12          HD13      LEU  12  34.930   5.109   0.374
  106   HD21  LEU  12          HD21      LEU  12  33.721   5.358   3.381
  107   HD22  LEU  12          HD22      LEU  12  35.243   4.606   2.901
  108   HD23  LEU  12          HD23      LEU  12  34.010   3.652   3.727
  109    H    VAL  13           HN       VAL  13  30.176   1.343   2.717
  110    HA   VAL  13           HA       VAL  13  32.378  -0.542   3.328
  111    HB   VAL  13           HB       VAL  13  30.014   0.305   5.016
  112   HG11  VAL  13          HG11      VAL  13  31.410  -1.156   6.711
  113   HG12  VAL  13          HG12      VAL  13  31.985  -1.945   5.242
  114   HG13  VAL  13          HG13      VAL  13  30.262  -1.931   5.619
  115   HG21  VAL  13          HG21      VAL  13  32.955   0.505   5.674
  116   HG22  VAL  13          HG22      VAL  13  31.608   1.392   6.388
  117   HG23  VAL  13          HG23      VAL  13  32.147   1.772   4.752
  118    H    ALA  14           HN       ALA  14  28.815  -0.408   3.090
  119    HA   ALA  14           HA       ALA  14  28.193  -3.067   3.140
  120    HB1  ALA  14           HB1      ALA  14  26.366  -2.509   1.478
  121    HB2  ALA  14           HB2      ALA  14  27.078  -0.900   1.349
  122    HB3  ALA  14           HB3      ALA  14  26.432  -1.457   2.893
  123    H    LEU  15           HN       LEU  15  29.257  -1.237   0.268
  124    HA   LEU  15           HA       LEU  15  29.280  -3.425  -1.512
  125    HB2  LEU  15           HB2      LEU  15  31.070  -0.982  -1.559
  126    HB3  LEU  15           HB1      LEU  15  30.680  -2.026  -2.930
  127    HG   LEU  15           HG       LEU  15  28.678  -0.401  -1.340
  128   HD11  LEU  15          HD11      LEU  15  28.785   1.233  -2.950
  129   HD12  LEU  15          HD12      LEU  15  29.180   0.085  -4.232
  130   HD13  LEU  15          HD13      LEU  15  30.434   0.629  -3.116
  131   HD21  LEU  15          HD21      LEU  15  27.408  -2.165  -2.156
  132   HD22  LEU  15          HD22      LEU  15  28.461  -2.414  -3.549
  133   HD23  LEU  15          HD23      LEU  15  27.332  -1.060  -3.529
  134    H    LEU  16           HN       LEU  16  31.515  -2.284   0.889
  135    HA   LEU  16           HA       LEU  16  33.556  -4.223   0.072
  136    HB2  LEU  16           HB2      LEU  16  33.722  -2.280   2.369
  137    HB3  LEU  16           HB1      LEU  16  35.046  -3.059   1.500
  138    HG   LEU  16           HG       LEU  16  33.134  -0.982   0.397
  139   HD11  LEU  16          HD11      LEU  16  36.144  -0.838   0.578
  140   HD12  LEU  16          HD12      LEU  16  35.120  -0.326   1.920
  141   HD13  LEU  16          HD13      LEU  16  34.995   0.482   0.358
  142   HD21  LEU  16          HD21      LEU  16  35.186  -2.765  -0.902
  143   HD22  LEU  16          HD22      LEU  16  34.799  -1.190  -1.594
  144   HD23  LEU  16          HD23      LEU  16  33.539  -2.415  -1.426
  145    H    THR  17           HN       THR  17  30.806  -4.420   1.705
  146    HA   THR  17           HA       THR  17  31.826  -6.527   3.475
  147    HB   THR  17           HB       THR  17  30.079  -4.218   4.340
  148    HG1  THR  17           HG1      THR  17  32.554  -5.307   5.179
  149   HG21  THR  17          HG21      THR  17  30.131  -5.576   6.558
  150   HG22  THR  17          HG22      THR  17  30.482  -6.958   5.519
  151   HG23  THR  17          HG23      THR  17  28.981  -6.054   5.309
  152    H    PHE  18           HN       PHE  18  28.667  -4.944   3.066
  153    HA   PHE  18           HA       PHE  18  27.057  -7.151   3.176
  154    HB2  PHE  18           HB2      PHE  18  26.471  -4.629   2.846
  155    HB3  PHE  18           HB1      PHE  18  26.480  -5.030   1.129
  156    HD1  PHE  18           HD1      PHE  18  25.180  -6.397   4.373
  157    HD2  PHE  18           HD2      PHE  18  24.483  -5.789   0.177
  158    HE1  PHE  18           HE1      PHE  18  22.919  -7.392   4.604
  159    HE2  PHE  18           HE2      PHE  18  22.224  -6.783   0.408
  160    HZ   PHE  18           HZ       PHE  18  21.442  -7.585   2.621
  161    H    LEU  19           HN       LEU  19  28.691  -5.872   0.289
  162    HA   LEU  19           HA       LEU  19  27.696  -7.977  -1.417
  163    HB2  LEU  19           HB2      LEU  19  29.654  -5.721  -1.727
  164    HB3  LEU  19           HB1      LEU  19  29.575  -6.988  -2.947
  165    HG   LEU  19           HG       LEU  19  28.107  -4.976  -3.414
  166   HD11  LEU  19          HD11      LEU  19  26.811  -6.380  -4.611
  167   HD12  LEU  19          HD12      LEU  19  26.046  -7.003  -3.150
  168   HD13  LEU  19          HD13      LEU  19  27.547  -7.719  -3.732
  169   HD21  LEU  19          HD21      LEU  19  26.201  -4.542  -2.075
  170   HD22  LEU  19          HD22      LEU  19  27.510  -4.783  -0.920
  171   HD23  LEU  19          HD23      LEU  19  26.349  -6.076  -1.218
  172    H    ALA  20           HN       ALA  20  30.881  -7.147  -0.047
  173    HA   ALA  20           HA       ALA  20  32.456  -9.138  -1.025
  174    HB1  ALA  20           HB1      ALA  20  32.967  -8.994   1.789
  175    HB2  ALA  20           HB2      ALA  20  32.545  -7.386   1.203
  176    HB3  ALA  20           HB3      ALA  20  33.881  -8.271   0.466
  177    H    PHE  21           HN       PHE  21  30.472  -9.440   1.933
  178    HA   PHE  21           HA       PHE  21  30.914 -12.301   2.025
  179    HB2  PHE  21           HB2      PHE  21  29.241 -10.426   3.703
  180    HB3  PHE  21           HB1      PHE  21  29.340 -12.164   3.988
  181    HD1  PHE  21           HD2      PHE  21  31.439  -9.091   3.649
  182    HD2  PHE  21           HD1      PHE  21  31.141 -13.086   5.200
  183    HE1  PHE  21           HE2      PHE  21  33.568  -8.770   4.880
  184    HE2  PHE  21           HE1      PHE  21  33.271 -12.767   6.430
  185    HZ   PHE  21           HZ       PHE  21  34.484 -10.609   6.270
  186    H    GLY  22           HN       GLY  22  28.284 -10.088   1.203
  187    HA2  GLY  22           HA2      GLY  22  26.157 -11.856   0.982
  188    HA3  GLY  22           HA1      GLY  22  26.359 -10.423  -0.021
  189    H    PHE  23           HN       PHE  23  28.608 -11.034  -1.464
  190    HA   PHE  23           HA       PHE  23  27.642 -12.536  -3.586
  191    HB2  PHE  23           HB2      PHE  23  30.172 -11.318  -2.842
  192    HB3  PHE  23           HB1      PHE  23  30.416 -12.832  -3.714
  193    HD1  PHE  23           HD1      PHE  23  28.678 -13.157  -5.759
  194    HD2  PHE  23           HD2      PHE  23  29.962  -9.390  -4.142
  195    HE1  PHE  23           HE1      PHE  23  28.080 -12.038  -7.889
  196    HE2  PHE  23           HE2      PHE  23  29.364  -8.271  -6.270
  197    HZ   PHE  23           HZ       PHE  23  28.422  -9.595  -8.145
  198    H    TRP  24           HN       TRP  24  28.881 -13.594  -0.586
  199    HA   TRP  24           HA       TRP  24  29.304 -16.321  -1.613
  200    HB2  TRP  24           HB2      TRP  24  31.212 -15.567  -0.383
  201    HB3  TRP  24           HB1      TRP  24  30.198 -14.970   0.935
  202    HD1  TRP  24           HD1      TRP  24  30.563 -18.350  -0.905
  203    HE1  TRP  24           HE1      TRP  24  30.547 -20.234   0.860
  204    HE3  TRP  24           HE3      TRP  24  30.052 -15.570   3.328
  205    HZ2  TRP  24           HZ2      TRP  24  30.342 -20.514   3.696
  206    HZ3  TRP  24           HZ3      TRP  24  29.947 -16.661   5.555
  207    HH2  TRP  24           HH2      TRP  24  30.092 -19.130   5.742
  208    H    LEU  25           HN       LEU  25  28.292 -15.040   1.532
  209    HA   LEU  25           HA       LEU  25  26.864 -16.864   2.710
  210    HB2  LEU  25           HB2      LEU  25  26.254 -13.998   2.292
  211    HB3  LEU  25           HB1      LEU  25  24.948 -14.986   2.947
  212    HG   LEU  25           HG       LEU  25  27.732 -15.177   4.080
  213   HD11  LEU  25          HD11      LEU  25  27.117 -13.473   5.743
  214   HD12  LEU  25          HD12      LEU  25  25.574 -13.219   4.928
  215   HD13  LEU  25          HD13      LEU  25  27.080 -12.785   4.121
  216   HD21  LEU  25          HD21      LEU  25  25.442 -16.610   4.544
  217   HD22  LEU  25          HD22      LEU  25  25.313 -15.352   5.774
  218   HD23  LEU  25          HD23      LEU  25  26.732 -16.397   5.728
  219    H    PHE  26           HN       PHE  26  25.256 -15.008   0.108
  220    HA   PHE  26           HA       PHE  26  23.045 -16.841   0.016
  221    HB2  PHE  26           HB2      PHE  26  23.751 -14.900  -2.169
  222    HB3  PHE  26           HB1      PHE  26  22.156 -15.435  -1.642
  223    HD1  PHE  26           HD1      PHE  26  21.950 -15.097   1.122
  224    HD2  PHE  26           HD2      PHE  26  24.180 -12.671  -1.634
  225    HE1  PHE  26           HE1      PHE  26  21.821 -13.189   2.697
  226    HE2  PHE  26           HE2      PHE  26  24.051 -10.763  -0.059
  227    HZ   PHE  26           HZ       PHE  26  22.877 -11.024   2.108
  228    H    LYS  27           HN       LYS  27  25.414 -15.967  -2.502
  229    HA   LYS  27           HA       LYS  27  24.885 -17.954  -4.310
  230    HB2  LYS  27           HB2      LYS  27  27.701 -17.064  -3.685
  231    HB3  LYS  27           HB1      LYS  27  27.041 -17.570  -5.238
  232    HG2  LYS  27           HG2      LYS  27  26.359 -15.043  -3.705
  233    HG3  LYS  27           HG1      LYS  27  27.191 -15.157  -5.256
  234    HD2  LYS  27           HD2      LYS  27  25.039 -16.390  -6.053
  235    HD3  LYS  27           HD1      LYS  27  24.291 -15.666  -4.627
  236    HE2  LYS  27           HE2      LYS  27  25.579 -13.501  -5.645
  237    HE3  LYS  27           HE1      LYS  27  25.223 -14.380  -7.131
  238    HZ1  LYS  27           HZ1      LYS  27  23.035 -14.034  -6.910
  239    HZ2  LYS  27           HZ2      LYS  27  23.497 -12.759  -5.887
  240    HZ3  LYS  27           HZ3      LYS  27  23.049 -14.260  -5.228
  241    H    TYR  28           HN       TYR  28  25.988 -18.457  -1.150
  242    HA   TYR  28           HA       TYR  28  27.012 -21.148  -1.855
  243    HB2  TYR  28           HB2      TYR  28  28.796 -20.543  -0.637
  244    HB3  TYR  28           HB1      TYR  28  27.977 -19.126   0.008
  245    HD1  TYR  28           HD1      TYR  28  27.909 -22.862   0.296
  246    HD2  TYR  28           HD2      TYR  28  27.432 -19.082   2.277
  247    HE1  TYR  28           HE1      TYR  28  27.584 -24.035   2.460
  248    HE2  TYR  28           HE2      TYR  28  27.108 -20.251   4.438
  249    HH   TYR  28           HH       TYR  28  26.201 -22.975   4.933
  250    H    LEU  29           HN       LEU  29  25.212 -19.397   0.684
  251    HA   LEU  29           HA       LEU  29  24.081 -21.890   1.660
  252    HB2  LEU  29           HB2      LEU  29  24.718 -19.606   2.933
  253    HB3  LEU  29           HB1      LEU  29  23.016 -19.288   2.605
  254    HG   LEU  29           HG       LEU  29  24.124 -21.746   3.994
  255   HD11  LEU  29          HD11      LEU  29  22.768 -20.788   5.915
  256   HD12  LEU  29          HD12      LEU  29  22.617 -19.308   4.968
  257   HD13  LEU  29          HD13      LEU  29  24.208 -19.866   5.487
  258   HD21  LEU  29          HD21      LEU  29  21.548 -21.968   4.456
  259   HD22  LEU  29          HD22      LEU  29  22.196 -22.517   2.910
  260   HD23  LEU  29          HD23      LEU  29  21.389 -20.953   3.022
  261    H    GLN  30           HN       GLN  30  22.926 -18.953   0.030
  262    HA   GLN  30           HA       GLN  30  20.202 -19.809  -0.096
  263    HB2  GLN  30           HB2      GLN  30  20.777 -17.447  -0.211
  264    HB3  GLN  30           HB1      GLN  30  21.701 -17.719  -1.687
  265    HG2  GLN  30           HG2      GLN  30  19.844 -17.875  -2.993
  266    HG3  GLN  30           HG1      GLN  30  18.908 -18.696  -1.744
  267   HE21  GLN  30          HE21      GLN  30  20.527 -15.696  -0.889
  268   HE22  GLN  30          HE22      GLN  30  19.126 -14.738  -0.842
  269    H    LYS  31           HN       LYS  31  23.010 -20.612  -1.861
  270    HA   LYS  31           HA       LYS  31  21.403 -21.671  -4.105
  271    HB2  LYS  31           HB2      LYS  31  24.189 -20.638  -3.873
  272    HB3  LYS  31           HB1      LYS  31  23.892 -21.943  -5.020
  273    HG2  LYS  31           HG2      LYS  31  23.619 -19.703  -6.067
  274    HG3  LYS  31           HG1      LYS  31  22.121 -20.635  -6.097
  275    HD2  LYS  31           HD2      LYS  31  21.144 -19.358  -4.383
  276    HD3  LYS  31           HD1      LYS  31  22.702 -18.756  -3.815
  277    HE2  LYS  31           HE2      LYS  31  22.953 -17.453  -5.902
  278    HE3  LYS  31           HE1      LYS  31  21.383 -18.040  -6.451
  279    HZ1  LYS  31           HZ1      LYS  31  20.363 -17.013  -4.519
  280    HZ2  LYS  31           HZ2      LYS  31  21.206 -15.856  -5.435
  281    HZ3  LYS  31           HZ3      LYS  31  21.872 -16.451  -3.990
  282    H    LYS  32           HN       LYS  32  24.054 -22.479  -1.877
  283    HA   LYS  32           HA       LYS  32  24.896 -24.501  -1.177
  284    HB2  LYS  32           HB2      LYS  32  22.033 -24.575  -0.984
  285    HB3  LYS  32           HB1      LYS  32  22.627 -26.184  -1.397
  286    HG2  LYS  32           HG2      LYS  32  24.261 -26.036   0.473
  287    HG3  LYS  32           HG1      LYS  32  23.586 -24.468   0.915
  288    HD2  LYS  32           HD2      LYS  32  22.040 -27.078   0.824
  289    HD3  LYS  32           HD1      LYS  32  22.621 -26.289   2.290
  290    HE2  LYS  32           HE2      LYS  32  20.468 -25.448   2.225
  291    HE3  LYS  32           HE1      LYS  32  21.292 -24.215   1.274
  292    HZ1  LYS  32           HZ1      LYS  32  19.223 -25.908   0.475
  293    HZ2  LYS  32           HZ2      LYS  32  20.604 -26.337  -0.419
  294    HZ3  LYS  32           HZ3      LYS  32  20.032 -24.738  -0.448
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1  21.741  17.615  -2.788
    2    H2   LYS   1           HT2      LYS   1  21.439  18.432  -1.330
    3    H3   LYS   1           HT3      LYS   1  20.475  18.740  -2.695
    4    HA   LYS   1           HA       LYS   1  20.061  16.853  -0.682
    5    HB2  LYS   1           HB2      LYS   1  18.400  18.260  -1.969
    6    HB3  LYS   1           HB1      LYS   1  18.625  17.163  -3.333
    7    HG2  LYS   1           HG2      LYS   1  17.842  15.279  -2.025
    8    HG3  LYS   1           HG1      LYS   1  17.778  16.266  -0.564
    9    HD2  LYS   1           HD2      LYS   1  15.970  17.576  -1.409
   10    HD3  LYS   1           HD1      LYS   1  16.178  16.940  -3.040
   11    HE2  LYS   1           HE2      LYS   1  14.262  15.857  -1.957
   12    HE3  LYS   1           HE1      LYS   1  15.551  14.682  -2.220
   13    HZ1  LYS   1           HZ1      LYS   1  15.622  16.120   0.304
   14    HZ2  LYS   1           HZ2      LYS   1  15.951  14.487  -0.029
   15    HZ3  LYS   1           HZ3      LYS   1  14.345  15.019   0.117
   16    H    LYS   2           HN       LYS   2  22.031  15.498  -1.026
   17    HA   LYS   2           HA       LYS   2  21.943  13.693  -3.320
   18    HB2  LYS   2           HB2      LYS   2  24.108  14.611  -2.487
   19    HB3  LYS   2           HB1      LYS   2  23.861  13.732  -0.977
   20    HG2  LYS   2           HG2      LYS   2  23.436  11.897  -3.119
   21    HG3  LYS   2           HG1      LYS   2  24.945  12.753  -3.441
   22    HD2  LYS   2           HD2      LYS   2  24.246  11.413  -0.810
   23    HD3  LYS   2           HD1      LYS   2  25.299  10.721  -2.045
   24    HE2  LYS   2           HE2      LYS   2  26.208  13.371  -1.559
   25    HE3  LYS   2           HE1      LYS   2  25.968  12.606   0.012
   26    HZ1  LYS   2           HZ1      LYS   2  27.497  11.419  -2.240
   27    HZ2  LYS   2           HZ2      LYS   2  27.323  10.762  -0.683
   28    HZ3  LYS   2           HZ3      LYS   2  28.190  12.205  -0.907
   29    H    HIS   3           HN       HIS   3  22.489  13.042   0.139
   30    HA   HIS   3           HA       HIS   3  20.220  11.283   0.337
   31    HB2  HIS   3           HB2      HIS   3  21.959   9.937  -0.944
   32    HB3  HIS   3           HB1      HIS   3  22.940   9.984   0.521
   33    HD2  HIS   3           HD2      HIS   3  22.378   7.091   0.658
   34    HE1  HIS   3           HE1      HIS   3  18.428   7.677   2.023
   35    HE2  HIS   3           HE2      HIS   3  20.275   5.961   1.717
   36    H    THR   4           HN       THR   4  22.321   9.788   2.233
   37    HA   THR   4           HA       THR   4  22.134  11.749   4.440
   38    HB   THR   4           HB       THR   4  20.428  10.128   4.881
   39    HG1  THR   4           HG1      THR   4  22.341  10.564   6.461
   40   HG21  THR   4          HG21      THR   4  20.563   8.104   3.917
   41   HG22  THR   4          HG22      THR   4  21.811   7.670   5.083
   42   HG23  THR   4          HG23      THR   4  22.263   8.364   3.526
   43    H    ILE   5           HN       ILE   5  23.293   8.777   5.426
   44    HA   ILE   5           HA       ILE   5  26.094   9.686   5.158
   45    HB   ILE   5           HB       ILE   5  26.400   8.145   7.203
   46   HG12  ILE   5          HG12      ILE   5  23.628   8.757   7.985
   47   HG13  ILE   5          HG11      ILE   5  23.758   7.549   6.707
   48   HG21  ILE   5          HG21      ILE   5  26.706  10.355   7.759
   49   HG22  ILE   5          HG22      ILE   5  25.196  10.078   8.628
   50   HG23  ILE   5          HG23      ILE   5  25.172  10.854   7.045
   51   HD11  ILE   5          HD11      ILE   5  25.439   7.402   9.208
   52   HD12  ILE   5          HD12      ILE   5  25.111   6.126   8.036
   53   HD13  ILE   5          HD13      ILE   5  23.833   6.676   9.120
   54    H    TRP   6           HN       TRP   6  23.818   7.161   4.560
   55    HA   TRP   6           HA       TRP   6  25.284   4.864   4.383
   56    HB2  TRP   6           HB2      TRP   6  22.893   5.899   3.150
   57    HB3  TRP   6           HB1      TRP   6  23.811   4.945   1.984
   58    HD1  TRP   6           HD1      TRP   6  22.615   2.685   1.988
   59    HE1  TRP   6           HE1      TRP   6  22.013   0.937   3.776
   60    HE3  TRP   6           HE3      TRP   6  23.875   5.275   6.195
   61    HZ2  TRP   6           HZ2      TRP   6  22.060   0.673   6.619
   62    HZ3  TRP   6           HZ3      TRP   6  23.587   4.255   8.435
   63    HH2  TRP   6           HH2      TRP   6  22.682   1.956   8.653
   64    H    GLU   7           HN       GLU   7  24.964   7.223   1.720
   65    HA   GLU   7           HA       GLU   7  26.833   6.033   0.008
   66    HB2  GLU   7           HB2      GLU   7  25.348   8.500   0.156
   67    HB3  GLU   7           HB1      GLU   7  26.984   8.799  -0.430
   68    HG2  GLU   7           HG2      GLU   7  25.157   6.648  -1.530
   69    HG3  GLU   7           HG1      GLU   7  25.344   8.245  -2.253
   70    H    VAL   8           HN       VAL   8  27.391   7.358   3.010
   71    HA   VAL   8           HA       VAL   8  30.152   8.154   2.344
   72    HB   VAL   8           HB       VAL   8  28.791   8.636   4.987
   73   HG11  VAL   8          HG11      VAL   8  30.735  10.523   3.805
   74   HG12  VAL   8          HG12      VAL   8  31.386   8.933   4.201
   75   HG13  VAL   8          HG13      VAL   8  30.621   9.908   5.455
   76   HG21  VAL   8          HG21      VAL   8  27.379   9.612   3.205
   77   HG22  VAL   8          HG22      VAL   8  28.794  10.415   2.525
   78   HG23  VAL   8          HG23      VAL   8  28.198  10.878   4.120
   79    H    ILE   9           HN       ILE   9  28.218   6.044   4.418
   80    HA   ILE   9           HA       ILE   9  30.687   4.648   5.220
   81    HB   ILE   9           HB       ILE   9  29.799   5.338   7.225
   82   HG12  ILE   9          HG12      ILE   9  29.623   2.658   6.817
   83   HG13  ILE   9          HG11      ILE   9  29.261   3.435   8.344
   84   HG21  ILE   9          HG21      ILE   9  27.909   6.521   6.479
   85   HG22  ILE   9          HG22      ILE   9  27.300   5.372   7.663
   86   HG23  ILE   9          HG23      ILE   9  27.092   5.057   5.937
   87   HD11  ILE   9          HD11      ILE   9  26.920   3.368   7.971
   88   HD12  ILE   9          HD12      ILE   9  27.507   1.787   7.463
   89   HD13  ILE   9          HD13      ILE   9  27.116   3.006   6.260
   90    H    ALA  10           HN       ALA  10  27.300   4.191   4.257
   91    HA   ALA  10           HA       ALA  10  27.544   1.358   3.935
   92    HB1  ALA  10           HB1      ALA  10  25.374   2.533   4.270
   93    HB2  ALA  10           HB2      ALA  10  25.377   1.484   2.854
   94    HB3  ALA  10           HB3      ALA  10  25.538   3.230   2.658
   95    H    GLY  11           HN       GLY  11  27.000   3.855   1.430
   96    HA2  GLY  11           HA2      GLY  11  27.679   2.314  -0.775
   97    HA3  GLY  11           HA1      GLY  11  27.885   4.064  -0.694
   98    H    LEU  12           HN       LEU  12  29.602   3.327   1.805
   99    HA   LEU  12           HA       LEU  12  32.096   3.027   0.286
  100    HB2  LEU  12           HB2      LEU  12  31.696   5.035   1.819
  101    HB3  LEU  12           HB1      LEU  12  31.847   3.899   3.162
  102    HG   LEU  12           HG       LEU  12  34.036   3.205   1.731
  103   HD11  LEU  12          HD11      LEU  12  35.114   5.253   0.897
  104   HD12  LEU  12          HD12      LEU  12  33.675   6.188   1.303
  105   HD13  LEU  12          HD13      LEU  12  33.602   4.963   0.037
  106   HD21  LEU  12          HD21      LEU  12  33.789   5.483   3.724
  107   HD22  LEU  12          HD22      LEU  12  35.304   4.686   3.298
  108   HD23  LEU  12          HD23      LEU  12  34.027   3.778   4.108
  109    H    VAL  13           HN       VAL  13  30.090   1.551   2.720
  110    HA   VAL  13           HA       VAL  13  32.136  -0.557   3.119
  111    HB   VAL  13           HB       VAL  13  29.876   0.257   4.964
  112   HG11  VAL  13          HG11      VAL  13  30.218  -2.079   5.245
  113   HG12  VAL  13          HG12      VAL  13  31.178  -1.324   6.518
  114   HG13  VAL  13          HG13      VAL  13  31.965  -1.925   5.059
  115   HG21  VAL  13          HG21      VAL  13  32.078   1.692   4.661
  116   HG22  VAL  13          HG22      VAL  13  32.809   0.394   5.606
  117   HG23  VAL  13          HG23      VAL  13  31.478   1.332   6.281
  118    H    ALA  14           HN       ALA  14  28.592  -0.085   3.083
  119    HA   ALA  14           HA       ALA  14  27.730  -2.668   2.876
  120    HB1  ALA  14           HB1      ALA  14  26.731  -0.255   1.348
  121    HB2  ALA  14           HB2      ALA  14  26.144  -0.845   2.902
  122    HB3  ALA  14           HB3      ALA  14  25.870  -1.791   1.439
  123    H    LEU  15           HN       LEU  15  28.909  -0.635   0.198
  124    HA   LEU  15           HA       LEU  15  28.614  -2.621  -1.801
  125    HB2  LEU  15           HB2      LEU  15  28.911  -0.196  -2.284
  126    HB3  LEU  15           HB1      LEU  15  30.575  -0.310  -1.717
  127    HG   LEU  15           HG       LEU  15  31.045  -2.008  -3.468
  128   HD11  LEU  15          HD11      LEU  15  29.137  -1.912  -5.341
  129   HD12  LEU  15          HD12      LEU  15  28.112  -1.647  -3.930
  130   HD13  LEU  15          HD13      LEU  15  29.095  -3.107  -4.044
  131   HD21  LEU  15          HD21      LEU  15  29.810   0.570  -4.487
  132   HD22  LEU  15          HD22      LEU  15  30.918  -0.455  -5.398
  133   HD23  LEU  15          HD23      LEU  15  31.473   0.365  -3.939
  134    H    LEU  16           HN       LEU  16  31.095  -1.899   0.548
  135    HA   LEU  16           HA       LEU  16  32.925  -3.870  -0.600
  136    HB2  LEU  16           HB2      LEU  16  33.336  -2.273   1.924
  137    HB3  LEU  16           HB1      LEU  16  34.558  -3.025   0.897
  138    HG   LEU  16           HG       LEU  16  32.784  -0.676   0.176
  139   HD11  LEU  16          HD11      LEU  16  35.802  -0.813   0.239
  140   HD12  LEU  16          HD12      LEU  16  34.865  -0.375   1.667
  141   HD13  LEU  16          HD13      LEU  16  34.774   0.621   0.215
  142   HD21  LEU  16          HD21      LEU  16  34.630  -2.417  -1.454
  143   HD22  LEU  16          HD22      LEU  16  34.339  -0.738  -1.909
  144   HD23  LEU  16          HD23      LEU  16  32.995  -1.878  -1.841
  145    H    THR  17           HN       THR  17  30.258  -4.014   1.250
  146    HA   THR  17           HA       THR  17  31.275  -6.293   2.837
  147    HB   THR  17           HB       THR  17  29.437  -4.066   3.586
  148    HG1  THR  17           HG1      THR  17  30.718  -4.051   5.329
  149   HG21  THR  17          HG21      THR  17  27.931  -5.846   3.984
  150   HG22  THR  17          HG22      THR  17  28.732  -5.605   5.536
  151   HG23  THR  17          HG23      THR  17  29.224  -6.935   4.488
  152    H    PHE  18           HN       PHE  18  28.175  -4.931   1.705
  153    HA   PHE  18           HA       PHE  18  26.586  -7.125   1.685
  154    HB2  PHE  18           HB2      PHE  18  26.212  -4.691   0.739
  155    HB3  PHE  18           HB1      PHE  18  26.593  -5.459  -0.802
  156    HD1  PHE  18           HD1      PHE  18  24.424  -5.835   2.224
  157    HD2  PHE  18           HD2      PHE  18  24.945  -6.677  -1.956
  158    HE1  PHE  18           HE1      PHE  18  22.130  -6.776   2.127
  159    HE2  PHE  18           HE2      PHE  18  22.654  -7.618  -2.053
  160    HZ   PHE  18           HZ       PHE  18  21.247  -7.667  -0.013
  161    H    LEU  19           HN       LEU  19  28.844  -6.261  -0.939
  162    HA   LEU  19           HA       LEU  19  28.350  -8.646  -2.440
  163    HB2  LEU  19           HB2      LEU  19  30.428  -6.474  -2.536
  164    HB3  LEU  19           HB1      LEU  19  30.595  -7.912  -3.540
  165    HG   LEU  19           HG       LEU  19  29.412  -5.981  -4.667
  166   HD11  LEU  19          HD11      LEU  19  28.806  -8.721  -4.731
  167   HD12  LEU  19          HD12      LEU  19  28.349  -7.516  -5.933
  168   HD13  LEU  19          HD13      LEU  19  27.240  -7.919  -4.623
  169   HD21  LEU  19          HD21      LEU  19  27.228  -5.333  -3.953
  170   HD22  LEU  19          HD22      LEU  19  28.219  -5.344  -2.494
  171   HD23  LEU  19          HD23      LEU  19  27.120  -6.683  -2.824
  172    H    ALA  20           HN       ALA  20  31.101  -7.592  -0.425
  173    HA   ALA  20           HA       ALA  20  32.755  -9.754  -0.606
  174    HB1  ALA  20           HB1      ALA  20  33.530  -9.241   1.650
  175    HB2  ALA  20           HB2      ALA  20  32.059  -8.323   1.967
  176    HB3  ALA  20           HB3      ALA  20  33.216  -7.747   0.768
  177    H    PHE  21           HN       PHE  21  30.091  -9.458   1.763
  178    HA   PHE  21           HA       PHE  21  30.332 -12.244   2.502
  179    HB2  PHE  21           HB2      PHE  21  28.391 -10.065   3.287
  180    HB3  PHE  21           HB1      PHE  21  28.300 -11.716   3.904
  181    HD1  PHE  21           HD1      PHE  21  30.502  -8.723   3.670
  182    HD2  PHE  21           HD2      PHE  21  29.761 -12.478   5.619
  183    HE1  PHE  21           HE1      PHE  21  32.251  -8.196   5.348
  184    HE2  PHE  21           HE2      PHE  21  31.509 -11.950   7.299
  185    HZ   PHE  21           HZ       PHE  21  32.752  -9.810   7.162
  186    H    GLY  22           HN       GLY  22  28.137 -10.244   0.586
  187    HA2  GLY  22           HA2      GLY  22  26.055 -12.039   0.160
  188    HA3  GLY  22           HA1      GLY  22  26.567 -10.819  -1.001
  189    H    PHE  23           HN       PHE  23  29.082 -11.669  -1.677
  190    HA   PHE  23           HA       PHE  23  28.639 -13.548  -3.661
  191    HB2  PHE  23           HB2      PHE  23  30.937 -12.202  -2.514
  192    HB3  PHE  23           HB1      PHE  23  31.334 -13.856  -2.976
  193    HD1  PHE  23           HD2      PHE  23  30.177 -14.590  -5.313
  194    HD2  PHE  23           HD1      PHE  23  31.186 -10.574  -4.169
  195    HE1  PHE  23           HE2      PHE  23  30.226 -13.921  -7.701
  196    HE2  PHE  23           HE1      PHE  23  31.234  -9.906  -6.555
  197    HZ   PHE  23           HZ       PHE  23  30.752 -11.580  -8.322
  198    H    TRP  24           HN       TRP  24  29.004 -14.013  -0.301
  199    HA   TRP  24           HA       TRP  24  29.534 -16.887  -0.651
  200    HB2  TRP  24           HB2      TRP  24  31.092 -15.914   0.877
  201    HB3  TRP  24           HB1      TRP  24  29.806 -15.070   1.742
  202    HD1  TRP  24           HD1      TRP  24  30.463 -18.744   0.733
  203    HE1  TRP  24           HE1      TRP  24  29.890 -20.249   2.752
  204    HE3  TRP  24           HE3      TRP  24  29.004 -15.193   4.077
  205    HZ2  TRP  24           HZ2      TRP  24  28.937 -19.971   5.430
  206    HZ3  TRP  24           HZ3      TRP  24  28.265 -15.832   6.359
  207    HH2  TRP  24           HH2      TRP  24  28.230 -18.215   7.037
  208    H    LEU  25           HN       LEU  25  27.812 -15.031   1.822
  209    HA   LEU  25           HA       LEU  25  26.033 -16.587   2.892
  210    HB2  LEU  25           HB2      LEU  25  25.709 -13.856   1.805
  211    HB3  LEU  25           HB1      LEU  25  24.221 -14.697   2.245
  212    HG   LEU  25           HG       LEU  25  26.581 -14.679   4.116
  213   HD11  LEU  25          HD11      LEU  25  25.641 -12.689   5.208
  214   HD12  LEU  25          HD12      LEU  25  24.381 -12.594   3.977
  215   HD13  LEU  25          HD13      LEU  25  26.066 -12.319   3.537
  216   HD21  LEU  25          HD21      LEU  25  24.179 -15.995   4.182
  217   HD22  LEU  25          HD22      LEU  25  23.788 -14.526   5.077
  218   HD23  LEU  25          HD23      LEU  25  25.109 -15.563   5.617
  219    H    PHE  26           HN       PHE  26  25.242 -15.264  -0.339
  220    HA   PHE  26           HA       PHE  26  23.053 -17.092  -0.666
  221    HB2  PHE  26           HB2      PHE  26  24.391 -15.597  -2.907
  222    HB3  PHE  26           HB1      PHE  26  22.691 -16.040  -2.735
  223    HD1  PHE  26           HD1      PHE  26  21.746 -15.189  -0.269
  224    HD2  PHE  26           HD2      PHE  26  24.784 -13.311  -2.656
  225    HE1  PHE  26           HE1      PHE  26  21.280 -13.024   0.842
  226    HE2  PHE  26           HE2      PHE  26  24.319 -11.146  -1.542
  227    HZ   PHE  26           HZ       PHE  26  22.572 -11.005   0.210
  228    H    LYS  27           HN       LYS  27  26.024 -16.708  -2.602
  229    HA   LYS  27           HA       LYS  27  25.889 -19.015  -4.071
  230    HB2  LYS  27           HB2      LYS  27  28.487 -18.015  -2.907
  231    HB3  LYS  27           HB1      LYS  27  28.227 -18.815  -4.456
  232    HG2  LYS  27           HG2      LYS  27  27.299 -16.039  -3.659
  233    HG3  LYS  27           HG1      LYS  27  28.496 -16.450  -4.886
  234    HD2  LYS  27           HD2      LYS  27  26.562 -17.820  -5.972
  235    HD3  LYS  27           HD1      LYS  27  25.511 -16.826  -4.962
  236    HE2  LYS  27           HE2      LYS  27  27.122 -14.903  -5.990
  237    HE3  LYS  27           HE1      LYS  27  27.140 -16.060  -7.321
  238    HZ1  LYS  27           HZ1      LYS  27  24.982 -15.717  -7.767
  239    HZ2  LYS  27           HZ2      LYS  27  25.227 -14.241  -6.961
  240    HZ3  LYS  27           HZ3      LYS  27  24.544 -15.560  -6.136
  241    H    TYR  28           HN       TYR  28  26.101 -18.882  -0.702
  242    HA   TYR  28           HA       TYR  28  27.108 -21.669  -0.579
  243    HB2  TYR  28           HB2      TYR  28  28.600 -20.820   0.875
  244    HB3  TYR  28           HB1      TYR  28  27.709 -19.309   1.043
  245    HD1  TYR  28           HD1      TYR  28  27.594 -22.907   2.037
  246    HD2  TYR  28           HD2      TYR  28  26.460 -18.877   2.983
  247    HE1  TYR  28           HE1      TYR  28  26.711 -23.671   4.229
  248    HE2  TYR  28           HE2      TYR  28  25.579 -19.633   5.172
  249    HH   TYR  28           HH       TYR  28  24.769 -21.664   6.222
  250    H    LEU  29           HN       LEU  29  24.902 -19.376   1.036
  251    HA   LEU  29           HA       LEU  29  23.422 -21.561   2.235
  252    HB2  LEU  29           HB2      LEU  29  23.902 -19.218   3.255
  253    HB3  LEU  29           HB1      LEU  29  22.543 -18.687   2.263
  254    HG   LEU  29           HG       LEU  29  21.523 -20.960   3.394
  255   HD11  LEU  29          HD11      LEU  29  23.253 -19.599   5.480
  256   HD12  LEU  29          HD12      LEU  29  23.522 -21.215   4.826
  257   HD13  LEU  29          HD13      LEU  29  22.083 -20.883   5.788
  258   HD21  LEU  29          HD21      LEU  29  21.472 -18.120   4.458
  259   HD22  LEU  29          HD22      LEU  29  20.328 -19.381   4.919
  260   HD23  LEU  29          HD23      LEU  29  20.381 -18.806   3.253
  261    H    GLN  30           HN       GLN  30  23.053 -19.310  -0.438
  262    HA   GLN  30           HA       GLN  30  20.299 -20.119  -0.917
  263    HB2  GLN  30           HB2      GLN  30  20.901 -17.804  -1.332
  264    HB3  GLN  30           HB1      GLN  30  22.159 -18.300  -2.459
  265    HG2  GLN  30           HG2      GLN  30  20.677 -18.806  -4.123
  266    HG3  GLN  30           HG1      GLN  30  19.432 -19.340  -2.995
  267   HE21  GLN  30          HE21      GLN  30  20.918 -16.225  -2.390
  268   HE22  GLN  30          HE22      GLN  30  19.604 -15.285  -2.911
  269    H    LYS  31           HN       LYS  31  23.379 -21.271  -1.687
  270    HA   LYS  31           HA       LYS  31  22.335 -22.753  -4.027
  271    HB2  LYS  31           HB2      LYS  31  25.012 -21.585  -3.412
  272    HB3  LYS  31           HB1      LYS  31  24.951 -23.073  -4.355
  273    HG2  LYS  31           HG2      LYS  31  24.916 -21.050  -5.800
  274    HG3  LYS  31           HG1      LYS  31  23.459 -22.027  -5.981
  275    HD2  LYS  31           HD2      LYS  31  22.119 -20.481  -4.909
  276    HD3  LYS  31           HD1      LYS  31  23.443 -19.860  -3.920
  277    HE2  LYS  31           HE2      LYS  31  24.413 -18.754  -5.888
  278    HE3  LYS  31           HE1      LYS  31  23.118 -19.396  -6.899
  279    HZ1  LYS  31           HZ1      LYS  31  22.654 -17.668  -4.533
  280    HZ2  LYS  31           HZ2      LYS  31  21.516 -18.144  -5.702
  281    HZ3  LYS  31           HZ3      LYS  31  22.769 -17.076  -6.119
  282    H    LYS  32           HN       LYS  32  21.443 -24.004  -2.014
  283    HA   LYS  32           HA       LYS  32  23.276 -26.263  -1.598
  284    HB2  LYS  32           HB2      LYS  32  22.082 -26.258   0.809
  285    HB3  LYS  32           HB1      LYS  32  23.618 -25.448   0.508
  286    HG2  LYS  32           HG2      LYS  32  22.641 -23.330   0.423
  287    HG3  LYS  32           HG1      LYS  32  21.047 -23.971   0.023
  288    HD2  LYS  32           HD2      LYS  32  22.183 -24.815   2.639
  289    HD3  LYS  32           HD1      LYS  32  21.699 -23.126   2.507
  290    HE2  LYS  32           HE2      LYS  32  19.457 -23.683   1.999
  291    HE3  LYS  32           HE1      LYS  32  19.874 -25.350   1.599
  292    HZ1  LYS  32           HZ1      LYS  32  18.824 -24.788   3.888
  293    HZ2  LYS  32           HZ2      LYS  32  20.408 -24.338   4.307
  294    HZ3  LYS  32           HZ3      LYS  32  20.079 -25.924   3.793
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  24.714  18.559   2.241
    2    H2   LYS   1           HT2      LYS   1  24.793  17.567   0.863
    3    H3   LYS   1           HT3      LYS   1  25.196  16.938   2.388
    4    HA   LYS   1           HA       LYS   1  22.989  16.981   3.134
    5    HB2  LYS   1           HB2      LYS   1  22.379  19.183   2.300
    6    HB3  LYS   1           HB1      LYS   1  22.462  18.613   0.633
    7    HG2  LYS   1           HG2      LYS   1  20.509  17.355   0.821
    8    HG3  LYS   1           HG1      LYS   1  20.651  17.211   2.574
    9    HD2  LYS   1           HD2      LYS   1  19.723  19.286   2.961
   10    HD3  LYS   1           HD1      LYS   1  20.319  19.952   1.440
   11    HE2  LYS   1           HE2      LYS   1  18.631  18.764   0.180
   12    HE3  LYS   1           HE1      LYS   1  18.116  17.879   1.617
   13    HZ1  LYS   1           HZ1      LYS   1  18.075  20.682   2.071
   14    HZ2  LYS   1           HZ2      LYS   1  16.815  19.551   2.216
   15    HZ3  LYS   1           HZ3      LYS   1  17.133  20.286   0.717
   16    H    LYS   2           HN       LYS   2  24.650  16.050   0.390
   17    HA   LYS   2           HA       LYS   2  22.944  14.582  -1.185
   18    HB2  LYS   2           HB2      LYS   2  25.358  14.781  -1.618
   19    HB3  LYS   2           HB1      LYS   2  25.694  13.738  -0.236
   20    HG2  LYS   2           HG2      LYS   2  23.747  12.594  -2.122
   21    HG3  LYS   2           HG1      LYS   2  25.340  12.860  -2.829
   22    HD2  LYS   2           HD2      LYS   2  24.999  11.500  -0.152
   23    HD3  LYS   2           HD1      LYS   2  24.951  10.598  -1.665
   24    HE2  LYS   2           HE2      LYS   2  27.217  12.462  -1.478
   25    HE3  LYS   2           HE1      LYS   2  27.243  11.187  -0.260
   26    HZ1  LYS   2           HZ1      LYS   2  27.874   9.752  -1.800
   27    HZ2  LYS   2           HZ2      LYS   2  27.903  10.993  -2.961
   28    HZ3  LYS   2           HZ3      LYS   2  26.492  10.078  -2.726
   29    H    HIS   3           HN       HIS   3  21.480  13.073  -0.732
   30    HA   HIS   3           HA       HIS   3  20.270  11.546   0.525
   31    HB2  HIS   3           HB2      HIS   3  22.006  10.235  -0.778
   32    HB3  HIS   3           HB1      HIS   3  22.961  10.184   0.704
   33    HD2  HIS   3           HD2      HIS   3  22.371   7.308   0.720
   34    HE1  HIS   3           HE1      HIS   3  18.374   7.865   1.955
   35    HE2  HIS   3           HE2      HIS   3  20.221   6.151   1.650
   36    H    THR   4           HN       THR   4  22.352   9.926   2.387
   37    HA   THR   4           HA       THR   4  22.067  11.736   4.710
   38    HB   THR   4           HB       THR   4  20.379  10.077   5.017
   39    HG1  THR   4           HG1      THR   4  21.536   8.729   6.705
   40   HG21  THR   4          HG21      THR   4  21.747   7.612   5.059
   41   HG22  THR   4          HG22      THR   4  22.257   8.418   3.575
   42   HG23  THR   4          HG23      THR   4  20.544   8.144   3.887
   43    H    ILE   5           HN       ILE   5  23.258   8.671   5.431
   44    HA   ILE   5           HA       ILE   5  26.051   9.634   5.303
   45    HB   ILE   5           HB       ILE   5  26.336   8.023   7.299
   46   HG12  ILE   5          HG12      ILE   5  23.556   8.602   8.076
   47   HG13  ILE   5          HG11      ILE   5  23.694   7.449   6.747
   48   HG21  ILE   5          HG21      ILE   5  26.577  10.365   7.657
   49   HG22  ILE   5          HG22      ILE   5  25.404   9.830   8.861
   50   HG23  ILE   5          HG23      ILE   5  24.855  10.656   7.403
   51   HD11  ILE   5          HD11      ILE   5  25.046   5.973   8.027
   52   HD12  ILE   5          HD12      ILE   5  23.747   6.466   9.115
   53   HD13  ILE   5          HD13      ILE   5  25.346   7.196   9.260
   54    H    TRP   6           HN       TRP   6  23.796   7.098   4.623
   55    HA   TRP   6           HA       TRP   6  25.276   4.824   4.374
   56    HB2  TRP   6           HB2      TRP   6  22.907   5.898   3.118
   57    HB3  TRP   6           HB1      TRP   6  23.850   4.971   1.952
   58    HD1  TRP   6           HD1      TRP   6  22.641   2.716   1.877
   59    HE1  TRP   6           HE1      TRP   6  22.002   0.926   3.611
   60    HE3  TRP   6           HE3      TRP   6  23.835   5.197   6.168
   61    HZ2  TRP   6           HZ2      TRP   6  21.996   0.593   6.446
   62    HZ3  TRP   6           HZ3      TRP   6  23.504   4.122   8.377
   63    HH2  TRP   6           HH2      TRP   6  22.586   1.823   8.522
   64    H    GLU   7           HN       GLU   7  24.913   7.144   1.680
   65    HA   GLU   7           HA       GLU   7  26.845   6.071   0.006
   66    HB2  GLU   7           HB2      GLU   7  25.402   8.583   0.251
   67    HB3  GLU   7           HB1      GLU   7  27.022   8.808  -0.414
   68    HG2  GLU   7           HG2      GLU   7  25.091   6.707  -1.425
   69    HG3  GLU   7           HG1      GLU   7  25.220   8.316  -2.132
   70    H    VAL   8           HN       VAL   8  27.343   7.404   3.049
   71    HA   VAL   8           HA       VAL   8  30.115   8.188   2.432
   72    HB   VAL   8           HB       VAL   8  28.757   8.602   5.086
   73   HG11  VAL   8          HG11      VAL   8  30.701  10.485   3.847
   74   HG12  VAL   8          HG12      VAL   8  31.331   8.925   4.377
   75   HG13  VAL   8          HG13      VAL   8  30.530   9.991   5.531
   76   HG21  VAL   8          HG21      VAL   8  28.111  10.847   4.271
   77   HG22  VAL   8          HG22      VAL   8  27.307   9.588   3.335
   78   HG23  VAL   8          HG23      VAL   8  28.702  10.432   2.662
   79    H    ILE   9           HN       ILE   9  28.181   6.021   4.451
   80    HA   ILE   9           HA       ILE   9  30.658   4.622   5.230
   81    HB   ILE   9           HB       ILE   9  29.752   5.267   7.245
   82   HG12  ILE   9          HG12      ILE   9  29.618   2.594   6.782
   83   HG13  ILE   9          HG11      ILE   9  29.239   3.334   8.323
   84   HG21  ILE   9          HG21      ILE   9  27.848   6.439   6.516
   85   HG22  ILE   9          HG22      ILE   9  27.251   5.256   7.672
   86   HG23  ILE   9          HG23      ILE   9  27.055   4.975   5.940
   87   HD11  ILE   9          HD11      ILE   9  27.511   1.678   7.403
   88   HD12  ILE   9          HD12      ILE   9  27.106   2.916   6.222
   89   HD13  ILE   9          HD13      ILE   9  26.898   3.241   7.939
   90    H    ALA  10           HN       ALA  10  27.279   4.165   4.244
   91    HA   ALA  10           HA       ALA  10  27.527   1.341   3.869
   92    HB1  ALA  10           HB1      ALA  10  25.538   3.255   2.625
   93    HB2  ALA  10           HB2      ALA  10  25.354   2.490   4.205
   94    HB3  ALA  10           HB3      ALA  10  25.373   1.504   2.744
   95    H    GLY  11           HN       GLY  11  26.998   3.871   1.396
   96    HA2  GLY  11           HA2      GLY  11  27.694   2.369  -0.825
   97    HA3  GLY  11           HA1      GLY  11  27.906   4.116  -0.715
   98    H    LEU  12           HN       LEU  12  29.607   3.351   1.780
   99    HA   LEU  12           HA       LEU  12  32.105   3.059   0.269
  100    HB2  LEU  12           HB2      LEU  12  31.701   5.042   1.835
  101    HB3  LEU  12           HB1      LEU  12  31.857   3.885   3.158
  102    HG   LEU  12           HG       LEU  12  34.048   3.195   1.788
  103   HD11  LEU  12          HD11      LEU  12  33.949   6.169   1.293
  104   HD12  LEU  12          HD12      LEU  12  33.385   5.024   0.075
  105   HD13  LEU  12          HD13      LEU  12  35.063   4.979   0.618
  106   HD21  LEU  12          HD21      LEU  12  35.308   4.768   3.261
  107   HD22  LEU  12          HD22      LEU  12  34.027   3.919   4.125
  108   HD23  LEU  12          HD23      LEU  12  33.794   5.594   3.629
  109    H    VAL  13           HN       VAL  13  30.090   1.557   2.683
  110    HA   VAL  13           HA       VAL  13  32.129  -0.561   3.058
  111    HB   VAL  13           HB       VAL  13  29.852   0.230   4.891
  112   HG11  VAL  13          HG11      VAL  13  31.915  -1.976   4.969
  113   HG12  VAL  13          HG12      VAL  13  30.165  -2.112   5.134
  114   HG13  VAL  13          HG13      VAL  13  31.119  -1.393   6.430
  115   HG21  VAL  13          HG21      VAL  13  31.459   1.245   6.260
  116   HG22  VAL  13          HG22      VAL  13  32.053   1.659   4.653
  117   HG23  VAL  13          HG23      VAL  13  32.786   0.329   5.548
  118    H    ALA  14           HN       ALA  14  28.587  -0.094   2.989
  119    HA   ALA  14           HA       ALA  14  27.729  -2.673   2.731
  120    HB1  ALA  14           HB1      ALA  14  26.718  -0.343   1.080
  121    HB2  ALA  14           HB2      ALA  14  26.234  -0.691   2.739
  122    HB3  ALA  14           HB3      ALA  14  25.832  -1.822   1.447
  123    H    LEU  15           HN       LEU  15  28.901  -0.597   0.079
  124    HA   LEU  15           HA       LEU  15  28.648  -2.560  -1.941
  125    HB2  LEU  15           HB2      LEU  15  28.934  -0.130  -2.395
  126    HB3  LEU  15           HB1      LEU  15  30.592  -0.236  -1.805
  127    HG   LEU  15           HG       LEU  15  31.099  -1.908  -3.572
  128   HD11  LEU  15          HD11      LEU  15  29.218  -1.811  -5.467
  129   HD12  LEU  15          HD12      LEU  15  28.170  -1.568  -4.069
  130   HD13  LEU  15          HD13      LEU  15  29.166  -3.018  -4.182
  131   HD21  LEU  15          HD21      LEU  15  29.839   0.650  -4.613
  132   HD22  LEU  15          HD22      LEU  15  31.025  -0.337  -5.469
  133   HD23  LEU  15          HD23      LEU  15  31.481   0.501  -3.985
  134    H    LEU  16           HN       LEU  16  31.096  -1.862   0.445
  135    HA   LEU  16           HA       LEU  16  32.941  -3.817  -0.712
  136    HB2  LEU  16           HB2      LEU  16  33.354  -2.221   1.810
  137    HB3  LEU  16           HB1      LEU  16  34.575  -2.962   0.774
  138    HG   LEU  16           HG       LEU  16  32.783  -0.623   0.068
  139   HD11  LEU  16          HD11      LEU  16  35.799  -0.726   0.084
  140   HD12  LEU  16          HD12      LEU  16  34.890  -0.337   1.545
  141   HD13  LEU  16          HD13      LEU  16  34.750   0.691   0.118
  142   HD21  LEU  16          HD21      LEU  16  34.625  -2.352  -1.578
  143   HD22  LEU  16          HD22      LEU  16  34.322  -0.674  -2.028
  144   HD23  LEU  16          HD23      LEU  16  32.986  -1.822  -1.951
  145    H    THR  17           HN       THR  17  30.269  -4.012   1.097
  146    HA   THR  17           HA       THR  17  31.305  -6.272   2.697
  147    HB   THR  17           HB       THR  17  29.424  -4.076   3.449
  148    HG1  THR  17           HG1      THR  17  30.644  -4.253   5.350
  149   HG21  THR  17          HG21      THR  17  27.978  -5.891   3.876
  150   HG22  THR  17          HG22      THR  17  28.800  -5.639   5.415
  151   HG23  THR  17          HG23      THR  17  29.308  -6.949   4.351
  152    H    PHE  18           HN       PHE  18  28.216  -4.923   1.524
  153    HA   PHE  18           HA       PHE  18  26.610  -7.101   1.515
  154    HB2  PHE  18           HB2      PHE  18  26.269  -4.689   0.513
  155    HB3  PHE  18           HB1      PHE  18  26.691  -5.482  -1.004
  156    HD1  PHE  18           HD2      PHE  18  24.451  -5.844   1.976
  157    HD2  PHE  18           HD1      PHE  18  25.053  -6.670  -2.195
  158    HE1  PHE  18           HE2      PHE  18  22.154  -6.771   1.826
  159    HE2  PHE  18           HE1      PHE  18  22.758  -7.598  -2.345
  160    HZ   PHE  18           HZ       PHE  18  21.309  -7.647  -0.334
  161    H    LEU  19           HN       LEU  19  28.936  -6.321  -1.074
  162    HA   LEU  19           HA       LEU  19  28.448  -8.733  -2.533
  163    HB2  LEU  19           HB2      LEU  19  30.549  -6.584  -2.632
  164    HB3  LEU  19           HB1      LEU  19  30.727  -8.048  -3.595
  165    HG   LEU  19           HG       LEU  19  29.591  -6.137  -4.799
  166   HD11  LEU  19          HD11      LEU  19  28.540  -7.691  -6.052
  167   HD12  LEU  19          HD12      LEU  19  27.400  -8.051  -4.759
  168   HD13  LEU  19          HD13      LEU  19  28.959  -8.870  -4.810
  169   HD21  LEU  19          HD21      LEU  19  27.397  -5.451  -4.158
  170   HD22  LEU  19          HD22      LEU  19  28.354  -5.427  -2.677
  171   HD23  LEU  19          HD23      LEU  19  27.251  -6.765  -2.992
  172    H    ALA  20           HN       ALA  20  31.123  -7.664  -0.426
  173    HA   ALA  20           HA       ALA  20  32.763  -9.859  -0.536
  174    HB1  ALA  20           HB1      ALA  20  33.823  -8.750   1.096
  175    HB2  ALA  20           HB2      ALA  20  32.498  -9.059   2.218
  176    HB3  ALA  20           HB3      ALA  20  32.456  -7.638   1.175
  177    H    PHE  21           HN       PHE  21  30.046  -9.438   1.750
  178    HA   PHE  21           HA       PHE  21  30.218 -12.194   2.605
  179    HB2  PHE  21           HB2      PHE  21  28.279  -9.960   3.222
  180    HB3  PHE  21           HB1      PHE  21  28.137 -11.581   3.900
  181    HD1  PHE  21           HD2      PHE  21  30.566  -8.760   3.515
  182    HD2  PHE  21           HD1      PHE  21  29.341 -12.163   5.832
  183    HE1  PHE  21           HE2      PHE  21  32.246  -8.185   5.247
  184    HE2  PHE  21           HE1      PHE  21  31.020 -11.589   7.563
  185    HZ   PHE  21           HZ       PHE  21  32.472  -9.601   7.270
  186    H    GLY  22           HN       GLY  22  28.171 -10.250   0.491
  187    HA2  GLY  22           HA2      GLY  22  26.068 -12.035   0.063
  188    HA3  GLY  22           HA1      GLY  22  26.634 -10.855  -1.112
  189    H    PHE  23           HN       PHE  23  29.177 -11.755  -1.647
  190    HA   PHE  23           HA       PHE  23  28.779 -13.689  -3.595
  191    HB2  PHE  23           HB2      PHE  23  31.051 -12.317  -2.428
  192    HB3  PHE  23           HB1      PHE  23  31.449 -13.991  -2.810
  193    HD1  PHE  23           HD1      PHE  23  30.364 -14.819  -5.147
  194    HD2  PHE  23           HD2      PHE  23  31.362 -10.762  -4.143
  195    HE1  PHE  23           HE1      PHE  23  30.490 -14.252  -7.558
  196    HE2  PHE  23           HE2      PHE  23  31.488 -10.197  -6.552
  197    HZ   PHE  23           HZ       PHE  23  31.050 -11.942  -8.261
  198    H    TRP  24           HN       TRP  24  28.950 -14.048  -0.226
  199    HA   TRP  24           HA       TRP  24  29.506 -16.932  -0.447
  200    HB2  TRP  24           HB2      TRP  24  31.005 -15.904   1.108
  201    HB3  TRP  24           HB1      TRP  24  29.686 -15.031   1.890
  202    HD1  TRP  24           HD1      TRP  24  30.370 -18.740   1.038
  203    HE1  TRP  24           HE1      TRP  24  29.715 -20.169   3.087
  204    HE3  TRP  24           HE3      TRP  24  28.796 -15.066   4.193
  205    HZ2  TRP  24           HZ2      TRP  24  28.660 -19.793   5.714
  206    HZ3  TRP  24           HZ3      TRP  24  27.969 -15.622   6.466
  207    HH2  TRP  24           HH2      TRP  24  27.898 -17.978   7.229
  208    H    LEU  25           HN       LEU  25  27.696 -14.988   1.894
  209    HA   LEU  25           HA       LEU  25  25.858 -16.510   2.927
  210    HB2  LEU  25           HB2      LEU  25  25.604 -13.801   1.766
  211    HB3  LEU  25           HB1      LEU  25  24.094 -14.620   2.164
  212    HG   LEU  25           HG       LEU  25  26.373 -14.584   4.130
  213   HD11  LEU  25          HD11      LEU  25  24.217 -12.467   3.844
  214   HD12  LEU  25          HD12      LEU  25  25.925 -12.233   3.477
  215   HD13  LEU  25          HD13      LEU  25  25.415 -12.554   5.134
  216   HD21  LEU  25          HD21      LEU  25  24.818 -15.393   5.596
  217   HD22  LEU  25          HD22      LEU  25  23.963 -15.870   4.132
  218   HD23  LEU  25          HD23      LEU  25  23.535 -14.369   4.953
  219    H    PHE  26           HN       PHE  26  25.251 -15.267  -0.372
  220    HA   PHE  26           HA       PHE  26  23.053 -17.081  -0.764
  221    HB2  PHE  26           HB2      PHE  26  24.516 -15.651  -2.971
  222    HB3  PHE  26           HB1      PHE  26  22.806 -16.070  -2.872
  223    HD1  PHE  26           HD2      PHE  26  21.772 -15.155  -0.452
  224    HD2  PHE  26           HD1      PHE  26  24.900 -13.356  -2.785
  225    HE1  PHE  26           HE2      PHE  26  21.280 -12.958   0.580
  226    HE2  PHE  26           HE1      PHE  26  24.406 -11.159  -1.751
  227    HZ   PHE  26           HZ       PHE  26  22.601 -10.961  -0.065
  228    H    LYS  27           HN       LYS  27  26.132 -16.767  -2.541
  229    HA   LYS  27           HA       LYS  27  26.045 -19.110  -3.964
  230    HB2  LYS  27           HB2      LYS  27  28.597 -18.109  -2.705
  231    HB3  LYS  27           HB1      LYS  27  28.396 -18.932  -4.249
  232    HG2  LYS  27           HG2      LYS  27  27.464 -16.133  -3.546
  233    HG3  LYS  27           HG1      LYS  27  28.714 -16.578  -4.704
  234    HD2  LYS  27           HD2      LYS  27  26.860 -17.921  -5.901
  235    HD3  LYS  27           HD1      LYS  27  25.733 -16.989  -4.913
  236    HE2  LYS  27           HE2      LYS  27  27.846 -15.774  -6.721
  237    HE3  LYS  27           HE1      LYS  27  26.138 -15.933  -7.135
  238    HZ1  LYS  27           HZ1      LYS  27  25.792 -14.030  -6.089
  239    HZ2  LYS  27           HZ2      LYS  27  27.405 -13.960  -5.559
  240    HZ3  LYS  27           HZ3      LYS  27  26.236 -14.770  -4.628
  241    H    TYR  28           HN       TYR  28  26.096 -18.886  -0.594
  242    HA   TYR  28           HA       TYR  28  27.083 -21.672  -0.345
  243    HB2  TYR  28           HB2      TYR  28  28.501 -20.781   1.159
  244    HB3  TYR  28           HB1      TYR  28  27.602 -19.269   1.247
  245    HD1  TYR  28           HD2      TYR  28  27.451 -22.843   2.323
  246    HD2  TYR  28           HD1      TYR  28  26.249 -18.799   3.107
  247    HE1  TYR  28           HE2      TYR  28  26.468 -23.555   4.489
  248    HE2  TYR  28           HE1      TYR  28  25.268 -19.503   5.271
  249    HH   TYR  28           HH       TYR  28  25.931 -22.442   6.716
  250    H    LEU  29           HN       LEU  29  24.795 -19.329   1.066
  251    HA   LEU  29           HA       LEU  29  23.240 -21.468   2.253
  252    HB2  LEU  29           HB2      LEU  29  23.655 -19.058   3.179
  253    HB3  LEU  29           HB1      LEU  29  22.332 -18.611   2.101
  254    HG   LEU  29           HG       LEU  29  21.278 -20.819   3.284
  255   HD11  LEU  29          HD11      LEU  29  21.778 -20.731   5.677
  256   HD12  LEU  29          HD12      LEU  29  22.928 -19.422   5.406
  257   HD13  LEU  29          HD13      LEU  29  23.261 -21.032   4.770
  258   HD21  LEU  29          HD21      LEU  29  21.223 -17.929   4.187
  259   HD22  LEU  29          HD22      LEU  29  20.120 -19.155   4.811
  260   HD23  LEU  29          HD23      LEU  29  20.091 -18.733   3.098
  261    H    GLN  30           HN       GLN  30  22.910 -19.146  -0.397
  262    HA   GLN  30           HA       GLN  30  20.256 -20.033  -1.097
  263    HB2  GLN  30           HB2      GLN  30  20.944 -17.735  -1.542
  264    HB3  GLN  30           HB1      GLN  30  22.243 -18.305  -2.585
  265    HG2  GLN  30           HG2      GLN  30  20.844 -18.780  -4.311
  266    HG3  GLN  30           HG1      GLN  30  19.551 -19.331  -3.246
  267   HE21  GLN  30          HE21      GLN  30  21.007 -16.179  -2.657
  268   HE22  GLN  30          HE22      GLN  30  19.686 -15.264  -3.207
  269    H    LYS  31           HN       LYS  31  23.386 -21.209  -1.615
  270    HA   LYS  31           HA       LYS  31  22.475 -22.832  -3.918
  271    HB2  LYS  31           HB2      LYS  31  25.095 -21.538  -3.303
  272    HB3  LYS  31           HB1      LYS  31  25.108 -23.081  -4.155
  273    HG2  LYS  31           HG2      LYS  31  25.059 -21.188  -5.742
  274    HG3  LYS  31           HG1      LYS  31  23.594 -22.162  -5.865
  275    HD2  LYS  31           HD2      LYS  31  22.261 -20.519  -4.979
  276    HD3  LYS  31           HD1      LYS  31  23.537 -19.900  -3.930
  277    HE2  LYS  31           HE2      LYS  31  24.654 -18.879  -5.866
  278    HE3  LYS  31           HE1      LYS  31  23.409 -19.521  -6.937
  279    HZ1  LYS  31           HZ1      LYS  31  22.501 -17.957  -4.654
  280    HZ2  LYS  31           HZ2      LYS  31  21.897 -18.018  -6.241
  281    HZ3  LYS  31           HZ3      LYS  31  23.286 -17.102  -5.890
  282    H    LYS  32           HN       LYS  32  21.556 -24.057  -1.958
  283    HA   LYS  32           HA       LYS  32  23.412 -26.230  -1.370
  284    HB2  LYS  32           HB2      LYS  32  22.899 -26.185   1.046
  285    HB3  LYS  32           HB1      LYS  32  23.737 -24.721   0.531
  286    HG2  LYS  32           HG2      LYS  32  22.047 -23.603   1.542
  287    HG3  LYS  32           HG1      LYS  32  21.084 -24.060   0.136
  288    HD2  LYS  32           HD2      LYS  32  20.370 -26.121   1.294
  289    HD3  LYS  32           HD1      LYS  32  21.324 -25.657   2.704
  290    HE2  LYS  32           HE2      LYS  32  19.909 -23.871   3.238
  291    HE3  LYS  32           HE1      LYS  32  19.271 -23.759   1.598
  292    HZ1  LYS  32           HZ1      LYS  32  18.705 -26.314   2.549
  293    HZ2  LYS  32           HZ2      LYS  32  17.611 -25.060   2.211
  294    HZ3  LYS  32           HZ3      LYS  32  18.261 -25.225   3.772
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1  22.882  18.854  -0.320
    2    H2   LYS   1           HT2      LYS   1  22.975  17.189   0.002
    3    H3   LYS   1           HT3      LYS   1  21.915  17.768  -1.193
    4    HA   LYS   1           HA       LYS   1  23.586  18.204  -2.693
    5    HB2  LYS   1           HB2      LYS   1  25.020  19.562  -1.347
    6    HB3  LYS   1           HB1      LYS   1  25.373  18.224  -0.251
    7    HG2  LYS   1           HG2      LYS   1  26.718  17.116  -1.847
    8    HG3  LYS   1           HG1      LYS   1  26.062  18.062  -3.183
    9    HD2  LYS   1           HD2      LYS   1  27.383  19.612  -1.025
   10    HD3  LYS   1           HD1      LYS   1  28.444  18.614  -2.019
   11    HE2  LYS   1           HE2      LYS   1  27.582  19.662  -4.053
   12    HE3  LYS   1           HE1      LYS   1  26.435  20.609  -3.104
   13    HZ1  LYS   1           HZ1      LYS   1  28.340  21.609  -1.944
   14    HZ2  LYS   1           HZ2      LYS   1  28.349  21.939  -3.611
   15    HZ3  LYS   1           HZ3      LYS   1  29.398  20.766  -2.968
   16    H    LYS   2           HN       LYS   2  23.904  15.901  -0.041
   17    HA   LYS   2           HA       LYS   2  24.291  13.758  -2.016
   18    HB2  LYS   2           HB2      LYS   2  26.540  14.300  -1.224
   19    HB3  LYS   2           HB1      LYS   2  26.005  14.143   0.450
   20    HG2  LYS   2           HG2      LYS   2  25.620  11.803   0.215
   21    HG3  LYS   2           HG1      LYS   2  25.734  11.886  -1.544
   22    HD2  LYS   2           HD2      LYS   2  27.806  10.958  -0.610
   23    HD3  LYS   2           HD1      LYS   2  28.121  12.532  -1.344
   24    HE2  LYS   2           HE2      LYS   2  27.445  12.339   1.583
   25    HE3  LYS   2           HE1      LYS   2  29.092  12.038   1.030
   26    HZ1  LYS   2           HZ1      LYS   2  27.840  14.496   1.433
   27    HZ2  LYS   2           HZ2      LYS   2  28.112  14.342  -0.237
   28    HZ3  LYS   2           HZ3      LYS   2  29.408  14.205   0.852
   29    H    HIS   3           HN       HIS   3  23.801  11.624  -1.153
   30    HA   HIS   3           HA       HIS   3  21.389  11.453   0.188
   31    HB2  HIS   3           HB2      HIS   3  22.578   9.631  -1.126
   32    HB3  HIS   3           HB1      HIS   3  23.526   9.323   0.330
   33    HD2  HIS   3           HD2      HIS   3  22.170   6.821   0.731
   34    HE1  HIS   3           HE1      HIS   3  18.422   8.557   1.605
   35    HE2  HIS   3           HE2      HIS   3  19.755   6.396   1.631
   36    H    THR   4           HN       THR   4  21.346   9.889   2.301
   37    HA   THR   4           HA       THR   4  21.926  11.538   4.481
   38    HB   THR   4           HB       THR   4  20.267   9.836   4.740
   39    HG1  THR   4           HG1      THR   4  21.596  10.270   6.576
   40   HG21  THR   4          HG21      THR   4  21.677   7.408   4.849
   41   HG22  THR   4          HG22      THR   4  22.261   8.219   3.397
   42   HG23  THR   4          HG23      THR   4  20.537   7.914   3.604
   43    H    ILE   5           HN       ILE   5  23.147   8.549   5.343
   44    HA   ILE   5           HA       ILE   5  25.926   9.562   5.271
   45    HB   ILE   5           HB       ILE   5  26.184   7.947   7.264
   46   HG12  ILE   5          HG12      ILE   5  23.358   8.430   7.938
   47   HG13  ILE   5          HG11      ILE   5  23.588   7.290   6.611
   48   HG21  ILE   5          HG21      ILE   5  26.334  10.296   7.645
   49   HG22  ILE   5          HG22      ILE   5  25.145   9.708   8.806
   50   HG23  ILE   5          HG23      ILE   5  24.612  10.529   7.339
   51   HD11  ILE   5          HD11      ILE   5  24.932   5.852   7.937
   52   HD12  ILE   5          HD12      ILE   5  23.582   6.301   8.979
   53   HD13  ILE   5          HD13      ILE   5  25.152   7.079   9.183
   54    H    TRP   6           HN       TRP   6  23.760   6.951   4.550
   55    HA   TRP   6           HA       TRP   6  25.291   4.722   4.311
   56    HB2  TRP   6           HB2      TRP   6  22.951   5.770   2.982
   57    HB3  TRP   6           HB1      TRP   6  23.951   4.872   1.841
   58    HD1  TRP   6           HD1      TRP   6  22.771   2.611   1.690
   59    HE1  TRP   6           HE1      TRP   6  22.099   0.781   3.372
   60    HE3  TRP   6           HE3      TRP   6  23.791   5.030   6.059
   61    HZ2  TRP   6           HZ2      TRP   6  22.009   0.398   6.199
   62    HZ3  TRP   6           HZ3      TRP   6  23.403   3.913   8.237
   63    HH2  TRP   6           HH2      TRP   6  22.513   1.599   8.314
   64    H    GLU   7           HN       GLU   7  24.901   6.867   1.492
   65    HA   GLU   7           HA       GLU   7  26.947   5.917  -0.060
   66    HB2  GLU   7           HB2      GLU   7  25.772   8.651   0.280
   67    HB3  GLU   7           HB1      GLU   7  27.143   8.415  -0.805
   68    HG2  GLU   7           HG2      GLU   7  24.651   6.709  -0.941
   69    HG3  GLU   7           HG1      GLU   7  24.832   8.195  -1.871
   70    H    VAL   8           HN       VAL   8  27.283   7.440   2.977
   71    HA   VAL   8           HA       VAL   8  30.065   8.204   2.442
   72    HB   VAL   8           HB       VAL   8  28.670   8.612   5.073
   73   HG11  VAL   8          HG11      VAL   8  31.223   9.018   4.386
   74   HG12  VAL   8          HG12      VAL   8  30.371  10.109   5.480
   75   HG13  VAL   8          HG13      VAL   8  30.549  10.531   3.777
   76   HG21  VAL   8          HG21      VAL   8  28.539  10.403   2.622
   77   HG22  VAL   8          HG22      VAL   8  27.930  10.814   4.224
   78   HG23  VAL   8          HG23      VAL   8  27.179   9.511   3.305
   79    H    ILE   9           HN       ILE   9  28.140   5.981   4.406
   80    HA   ILE   9           HA       ILE   9  30.636   4.664   5.261
   81    HB   ILE   9           HB       ILE   9  29.678   5.296   7.252
   82   HG12  ILE   9          HG12      ILE   9  29.626   2.623   6.811
   83   HG13  ILE   9          HG11      ILE   9  29.177   3.360   8.336
   84   HG21  ILE   9          HG21      ILE   9  27.016   4.932   5.895
   85   HG22  ILE   9          HG22      ILE   9  27.758   6.416   6.489
   86   HG23  ILE   9          HG23      ILE   9  27.166   5.219   7.631
   87   HD11  ILE   9          HD11      ILE   9  27.531   1.647   7.366
   88   HD12  ILE   9          HD12      ILE   9  27.123   2.873   6.173
   89   HD13  ILE   9          HD13      ILE   9  26.856   3.191   7.883
   90    H    ALA  10           HN       ALA  10  27.307   4.125   4.174
   91    HA   ALA  10           HA       ALA  10  27.610   1.300   3.849
   92    HB1  ALA  10           HB1      ALA  10  25.506   1.426   2.612
   93    HB2  ALA  10           HB2      ALA  10  25.646   3.181   2.517
   94    HB3  ALA  10           HB3      ALA  10  25.406   2.397   4.078
   95    H    GLY  11           HN       GLY  11  27.136   3.785   1.319
   96    HA2  GLY  11           HA2      GLY  11  27.962   2.266  -0.848
   97    HA3  GLY  11           HA1      GLY  11  28.133   4.020  -0.754
   98    H    LEU  12           HN       LEU  12  29.731   3.349   1.821
   99    HA   LEU  12           HA       LEU  12  32.308   3.104   0.446
  100    HB2  LEU  12           HB2      LEU  12  31.778   5.069   1.993
  101    HB3  LEU  12           HB1      LEU  12  31.870   3.910   3.319
  102    HG   LEU  12           HG       LEU  12  34.159   3.266   2.106
  103   HD11  LEU  12          HD11      LEU  12  34.160   6.226   1.623
  104   HD12  LEU  12          HD12      LEU  12  33.489   5.163   0.387
  105   HD13  LEU  12          HD13      LEU  12  35.167   4.976   0.894
  106   HD21  LEU  12          HD21      LEU  12  34.006   3.991   4.424
  107   HD22  LEU  12          HD22      LEU  12  33.705   5.655   3.920
  108   HD23  LEU  12          HD23      LEU  12  35.281   4.918   3.632
  109    H    VAL  13           HN       VAL  13  30.205   1.556   2.749
  110    HA   VAL  13           HA       VAL  13  32.244  -0.550   3.189
  111    HB   VAL  13           HB       VAL  13  29.945   0.243   4.992
  112   HG11  VAL  13          HG11      VAL  13  32.090  -1.885   5.178
  113   HG12  VAL  13          HG12      VAL  13  30.341  -2.115   5.203
  114   HG13  VAL  13          HG13      VAL  13  31.149  -1.344   6.568
  115   HG21  VAL  13          HG21      VAL  13  32.870   0.411   5.673
  116   HG22  VAL  13          HG22      VAL  13  31.518   1.305   6.367
  117   HG23  VAL  13          HG23      VAL  13  32.117   1.716   4.759
  118    H    ALA  14           HN       ALA  14  28.695  -0.101   3.154
  119    HA   ALA  14           HA       ALA  14  27.867  -2.687   2.869
  120    HB1  ALA  14           HB1      ALA  14  25.964  -1.810   1.532
  121    HB2  ALA  14           HB2      ALA  14  26.812  -0.271   1.378
  122    HB3  ALA  14           HB3      ALA  14  26.287  -0.834   2.965
  123    H    LEU  15           HN       LEU  15  29.146  -0.577   0.316
  124    HA   LEU  15           HA       LEU  15  28.810  -2.482  -1.779
  125    HB2  LEU  15           HB2      LEU  15  29.104  -0.031  -2.162
  126    HB3  LEU  15           HB1      LEU  15  30.773  -0.177  -1.613
  127    HG   LEU  15           HG       LEU  15  31.208  -1.818  -3.433
  128   HD11  LEU  15          HD11      LEU  15  28.281  -1.389  -3.865
  129   HD12  LEU  15          HD12      LEU  15  29.241  -2.856  -4.054
  130   HD13  LEU  15          HD13      LEU  15  29.294  -1.601  -5.292
  131   HD21  LEU  15          HD21      LEU  15  31.506   0.700  -3.686
  132   HD22  LEU  15          HD22      LEU  15  29.964   0.708  -4.545
  133   HD23  LEU  15          HD23      LEU  15  31.331  -0.198  -5.195
  134    H    LEU  16           HN       LEU  16  31.307  -1.793   0.571
  135    HA   LEU  16           HA       LEU  16  33.144  -3.728  -0.621
  136    HB2  LEU  16           HB2      LEU  16  33.523  -2.219   1.963
  137    HB3  LEU  16           HB1      LEU  16  34.758  -2.929   0.924
  138    HG   LEU  16           HG       LEU  16  32.983  -0.564   0.263
  139   HD11  LEU  16          HD11      LEU  16  36.000  -0.682   0.355
  140   HD12  LEU  16          HD12      LEU  16  35.048  -0.315   1.792
  141   HD13  LEU  16          HD13      LEU  16  34.960   0.741   0.384
  142   HD21  LEU  16          HD21      LEU  16  34.597  -0.558  -1.794
  143   HD22  LEU  16          HD22      LEU  16  33.224  -1.664  -1.798
  144   HD23  LEU  16          HD23      LEU  16  34.835  -2.260  -1.400
  145    H    THR  17           HN       THR  17  30.463  -3.935   1.198
  146    HA   THR  17           HA       THR  17  31.460  -6.264   2.724
  147    HB   THR  17           HB       THR  17  29.634  -4.043   3.511
  148    HG1  THR  17           HG1      THR  17  31.566  -4.002   4.474
  149   HG21  THR  17          HG21      THR  17  28.823  -5.623   5.378
  150   HG22  THR  17          HG22      THR  17  29.322  -6.936   4.312
  151   HG23  THR  17          HG23      THR  17  28.073  -5.803   3.792
  152    H    PHE  18           HN       PHE  18  28.356  -4.887   1.612
  153    HA   PHE  18           HA       PHE  18  26.832  -7.140   1.470
  154    HB2  PHE  18           HB2      PHE  18  26.301  -4.681   0.783
  155    HB3  PHE  18           HB1      PHE  18  26.775  -5.211  -0.831
  156    HD1  PHE  18           HD2      PHE  18  24.397  -5.770   1.956
  157    HD2  PHE  18           HD1      PHE  18  25.408  -6.731  -2.107
  158    HE1  PHE  18           HE2      PHE  18  22.178  -6.833   1.653
  159    HE2  PHE  18           HE1      PHE  18  23.190  -7.794  -2.409
  160    HZ   PHE  18           HZ       PHE  18  21.573  -7.845  -0.528
  161    H    LEU  19           HN       LEU  19  29.218  -6.064  -0.925
  162    HA   LEU  19           HA       LEU  19  28.695  -8.226  -2.742
  163    HB2  LEU  19           HB2      LEU  19  30.842  -6.129  -2.511
  164    HB3  LEU  19           HB1      LEU  19  30.981  -7.431  -3.688
  165    HG   LEU  19           HG       LEU  19  29.901  -5.331  -4.586
  166   HD11  LEU  19          HD11      LEU  19  27.653  -7.179  -4.800
  167   HD12  LEU  19          HD12      LEU  19  29.195  -8.003  -5.016
  168   HD13  LEU  19          HD13      LEU  19  28.775  -6.637  -6.045
  169   HD21  LEU  19          HD21      LEU  19  28.690  -4.931  -2.358
  170   HD22  LEU  19          HD22      LEU  19  27.531  -6.144  -2.899
  171   HD23  LEU  19          HD23      LEU  19  27.751  -4.660  -3.826
  172    H    ALA  20           HN       ALA  20  30.612  -7.834   0.099
  173    HA   ALA  20           HA       ALA  20  32.369 -10.073  -0.517
  174    HB1  ALA  20           HB1      ALA  20  33.682  -9.100   1.013
  175    HB2  ALA  20           HB2      ALA  20  32.441  -9.311   2.247
  176    HB3  ALA  20           HB3      ALA  20  32.451  -7.859   1.247
  177    H    PHE  21           HN       PHE  21  29.787  -9.322   1.814
  178    HA   PHE  21           HA       PHE  21  29.717 -12.041   2.798
  179    HB2  PHE  21           HB2      PHE  21  28.005  -9.606   3.311
  180    HB3  PHE  21           HB1      PHE  21  27.692 -11.175   4.052
  181    HD1  PHE  21           HD1      PHE  21  30.515  -8.767   3.490
  182    HD2  PHE  21           HD2      PHE  21  28.716 -11.669   6.097
  183    HE1  PHE  21           HE1      PHE  21  32.239  -8.293   5.208
  184    HE2  PHE  21           HE2      PHE  21  30.439 -11.194   7.814
  185    HZ   PHE  21           HZ       PHE  21  32.200  -9.507   7.370
  186    H    GLY  22           HN       GLY  22  27.873 -10.031   0.574
  187    HA2  GLY  22           HA2      GLY  22  25.652 -11.749   0.231
  188    HA3  GLY  22           HA1      GLY  22  26.184 -10.520  -0.910
  189    H    PHE  23           HN       PHE  23  28.585 -11.310  -1.766
  190    HA   PHE  23           HA       PHE  23  28.148 -13.155  -3.729
  191    HB2  PHE  23           HB2      PHE  23  30.143 -12.062  -4.035
  192    HB3  PHE  23           HB1      PHE  23  30.587 -12.175  -2.331
  193    HD1  PHE  23           HD1      PHE  23  30.348 -14.067  -5.513
  194    HD2  PHE  23           HD2      PHE  23  31.807 -14.042  -1.474
  195    HE1  PHE  23           HE1      PHE  23  31.717 -16.078  -5.996
  196    HE2  PHE  23           HE2      PHE  23  33.175 -16.050  -1.956
  197    HZ   PHE  23           HZ       PHE  23  33.133 -17.071  -4.218
  198    H    TRP  24           HN       TRP  24  29.209 -13.759  -0.415
  199    HA   TRP  24           HA       TRP  24  29.477 -16.613  -0.853
  200    HB2  TRP  24           HB2      TRP  24  31.005 -15.710   0.716
  201    HB3  TRP  24           HB1      TRP  24  29.731 -14.836   1.565
  202    HD1  TRP  24           HD1      TRP  24  30.376 -18.536   0.624
  203    HE1  TRP  24           HE1      TRP  24  29.760 -19.997   2.659
  204    HE3  TRP  24           HE3      TRP  24  28.850 -14.915   3.864
  205    HZ2  TRP  24           HZ2      TRP  24  28.751 -19.665   5.312
  206    HZ3  TRP  24           HZ3      TRP  24  28.065 -15.507   6.142
  207    HH2  TRP  24           HH2      TRP  24  28.013 -17.877   6.867
  208    H    LEU  25           HN       LEU  25  27.599 -14.782   1.543
  209    HA   LEU  25           HA       LEU  25  25.876 -16.399   2.627
  210    HB2  LEU  25           HB2      LEU  25  25.421 -13.745   1.399
  211    HB3  LEU  25           HB1      LEU  25  23.984 -14.651   1.867
  212    HG   LEU  25           HG       LEU  25  26.312 -14.393   3.748
  213   HD11  LEU  25          HD11      LEU  25  25.163 -12.422   4.745
  214   HD12  LEU  25          HD12      LEU  25  24.026 -12.433   3.396
  215   HD13  LEU  25          HD13      LEU  25  25.733 -12.102   3.108
  216   HD21  LEU  25          HD21      LEU  25  23.513 -14.351   4.694
  217   HD22  LEU  25          HD22      LEU  25  24.885 -15.289   5.285
  218   HD23  LEU  25          HD23      LEU  25  23.985 -15.837   3.872
  219    H    PHE  26           HN       PHE  26  25.152 -15.251  -0.680
  220    HA   PHE  26           HA       PHE  26  23.018 -17.108  -1.004
  221    HB2  PHE  26           HB2      PHE  26  24.492 -15.787  -3.268
  222    HB3  PHE  26           HB1      PHE  26  22.790 -16.247  -3.182
  223    HD1  PHE  26           HD1      PHE  26  21.641 -15.233  -0.881
  224    HD2  PHE  26           HD2      PHE  26  24.857 -13.486  -3.132
  225    HE1  PHE  26           HE1      PHE  26  21.077 -13.007   0.043
  226    HE2  PHE  26           HE2      PHE  26  24.294 -11.259  -2.204
  227    HZ   PHE  26           HZ       PHE  26  22.407 -11.018  -0.617
  228    H    LYS  27           HN       LYS  27  26.178 -16.955  -2.684
  229    HA   LYS  27           HA       LYS  27  25.906 -19.525  -3.833
  230    HB2  LYS  27           HB2      LYS  27  28.356 -17.825  -3.346
  231    HB3  LYS  27           HB1      LYS  27  28.349 -19.302  -4.310
  232    HG2  LYS  27           HG2      LYS  27  27.001 -18.373  -5.975
  233    HG3  LYS  27           HG1      LYS  27  26.350 -17.138  -4.897
  234    HD2  LYS  27           HD2      LYS  27  28.144 -15.742  -5.188
  235    HD3  LYS  27           HD1      LYS  27  29.287 -17.075  -5.366
  236    HE2  LYS  27           HE2      LYS  27  28.742 -15.658  -7.470
  237    HE3  LYS  27           HE1      LYS  27  28.719 -17.414  -7.631
  238    HZ1  LYS  27           HZ1      LYS  27  26.203 -16.447  -6.750
  239    HZ2  LYS  27           HZ2      LYS  27  26.576 -17.367  -8.129
  240    HZ3  LYS  27           HZ3      LYS  27  26.659 -15.672  -8.186
  241    H    TYR  28           HN       TYR  28  25.470 -19.559  -0.931
  242    HA   TYR  28           HA       TYR  28  27.188 -21.829  -0.338
  243    HB2  TYR  28           HB2      TYR  28  28.605 -20.623   0.937
  244    HB3  TYR  28           HB1      TYR  28  27.546 -19.216   0.933
  245    HD1  TYR  28           HD2      TYR  28  27.637 -22.702   2.326
  246    HD2  TYR  28           HD1      TYR  28  26.570 -18.589   2.949
  247    HE1  TYR  28           HE2      TYR  28  26.903 -23.242   4.633
  248    HE2  TYR  28           HE1      TYR  28  25.832 -19.129   5.256
  249    HH   TYR  28           HH       TYR  28  26.016 -20.732   6.914
  250    H    LEU  29           HN       LEU  29  24.785 -19.604   1.099
  251    HA   LEU  29           HA       LEU  29  23.518 -21.827   2.493
  252    HB2  LEU  29           HB2      LEU  29  23.673 -19.025   2.883
  253    HB3  LEU  29           HB1      LEU  29  21.975 -19.411   2.605
  254    HG   LEU  29           HG       LEU  29  23.774 -20.822   4.595
  255   HD11  LEU  29          HD11      LEU  29  21.656 -18.681   4.906
  256   HD12  LEU  29          HD12      LEU  29  23.342 -18.611   5.419
  257   HD13  LEU  29          HD13      LEU  29  22.211 -19.681   6.249
  258   HD21  LEU  29          HD21      LEU  29  22.169 -22.404   4.591
  259   HD22  LEU  29          HD22      LEU  29  21.242 -21.497   3.398
  260   HD23  LEU  29          HD23      LEU  29  21.007 -21.185   5.118
  261    H    GLN  30           HN       GLN  30  22.886 -19.678  -0.222
  262    HA   GLN  30           HA       GLN  30  20.257 -20.836  -0.700
  263    HB2  GLN  30           HB2      GLN  30  20.461 -18.488  -1.143
  264    HB3  GLN  30           HB1      GLN  30  21.890 -18.743  -2.134
  265    HG2  GLN  30           HG2      GLN  30  20.690 -19.623  -3.910
  266    HG3  GLN  30           HG1      GLN  30  19.326 -20.090  -2.890
  267   HE21  GLN  30          HE21      GLN  30  20.566 -16.930  -2.226
  268   HE22  GLN  30          HE22      GLN  30  19.365 -16.053  -3.040
  269    H    LYS  31           HN       LYS  31  23.393 -21.726  -1.304
  270    HA   LYS  31           HA       LYS  31  22.633 -23.274  -3.711
  271    HB2  LYS  31           HB2      LYS  31  25.089 -21.740  -3.038
  272    HB3  LYS  31           HB1      LYS  31  25.319 -23.288  -3.855
  273    HG2  LYS  31           HG2      LYS  31  25.098 -21.432  -5.478
  274    HG3  LYS  31           HG1      LYS  31  23.782 -22.594  -5.641
  275    HD2  LYS  31           HD2      LYS  31  22.207 -21.130  -4.856
  276    HD3  LYS  31           HD1      LYS  31  23.332 -20.350  -3.744
  277    HE2  LYS  31           HE2      LYS  31  24.387 -19.151  -5.584
  278    HE3  LYS  31           HE1      LYS  31  23.381 -20.003  -6.756
  279    HZ1  LYS  31           HZ1      LYS  31  22.480 -17.826  -6.294
  280    HZ2  LYS  31           HZ2      LYS  31  22.419 -18.165  -4.631
  281    HZ3  LYS  31           HZ3      LYS  31  21.423 -19.017  -5.711
  282    H    LYS  32           HN       LYS  32  21.817 -24.843  -2.099
  283    HA   LYS  32           HA       LYS  32  23.918 -26.747  -1.440
  284    HB2  LYS  32           HB2      LYS  32  22.682 -26.956   0.900
  285    HB3  LYS  32           HB1      LYS  32  24.013 -25.822   0.664
  286    HG2  LYS  32           HG2      LYS  32  22.485 -23.990   0.305
  287    HG3  LYS  32           HG1      LYS  32  21.101 -25.082   0.271
  288    HD2  LYS  32           HD2      LYS  32  22.617 -25.470   2.707
  289    HD3  LYS  32           HD1      LYS  32  22.173 -23.773   2.528
  290    HE2  LYS  32           HE2      LYS  32  20.429 -25.132   3.713
  291    HE3  LYS  32           HE1      LYS  32  19.832 -24.359   2.246
  292    HZ1  LYS  32           HZ1      LYS  32  19.345 -26.844   2.653
  293    HZ2  LYS  32           HZ2      LYS  32  20.943 -27.080   2.127
  294    HZ3  LYS  32           HZ3      LYS  32  19.809 -26.337   1.102
  Start of MODEL   13
    1    H1   LYS   1           HT1      LYS   1  23.308  17.797  -3.830
    2    H2   LYS   1           HT2      LYS   1  21.914  18.764  -3.918
    3    H3   LYS   1           HT3      LYS   1  21.913  17.204  -4.591
    4    HA   LYS   1           HA       LYS   1  22.316  17.726  -1.702
    5    HB2  LYS   1           HB2      LYS   1  20.020  18.364  -2.912
    6    HB3  LYS   1           HB1      LYS   1  19.758  16.623  -2.779
    7    HG2  LYS   1           HG2      LYS   1  20.349  16.805  -0.331
    8    HG3  LYS   1           HG1      LYS   1  20.347  18.559  -0.525
    9    HD2  LYS   1           HD2      LYS   1  18.011  18.514  -1.244
   10    HD3  LYS   1           HD1      LYS   1  17.998  16.751  -1.163
   11    HE2  LYS   1           HE2      LYS   1  18.964  17.742   1.337
   12    HE3  LYS   1           HE1      LYS   1  17.481  18.611   0.941
   13    HZ1  LYS   1           HZ1      LYS   1  17.875  15.686   1.163
   14    HZ2  LYS   1           HZ2      LYS   1  16.512  16.366   0.413
   15    HZ3  LYS   1           HZ3      LYS   1  16.821  16.669   2.056
   16    H    LYS   2           HN       LYS   2  23.315  15.993  -0.900
   17    HA   LYS   2           HA       LYS   2  23.230  13.451  -2.340
   18    HB2  LYS   2           HB2      LYS   2  25.402  14.306  -1.547
   19    HB3  LYS   2           HB1      LYS   2  24.806  14.272   0.113
   20    HG2  LYS   2           HG2      LYS   2  24.735  11.928   0.176
   21    HG3  LYS   2           HG1      LYS   2  24.698  11.786  -1.582
   22    HD2  LYS   2           HD2      LYS   2  26.911  11.154  -0.680
   23    HD3  LYS   2           HD1      LYS   2  27.025  12.587  -1.704
   24    HE2  LYS   2           HE2      LYS   2  27.162  14.043   0.189
   25    HE3  LYS   2           HE1      LYS   2  26.704  12.752   1.300
   26    HZ1  LYS   2           HZ1      LYS   2  29.247  13.478   0.662
   27    HZ2  LYS   2           HZ2      LYS   2  28.994  12.088  -0.281
   28    HZ3  LYS   2           HZ3      LYS   2  28.788  12.024   1.404
   29    H    HIS   3           HN       HIS   3  23.027  11.439  -0.990
   30    HA   HIS   3           HA       HIS   3  20.509  11.320   0.246
   31    HB2  HIS   3           HB2      HIS   3  21.748   9.393  -0.780
   32    HB3  HIS   3           HB1      HIS   3  22.804   9.385   0.631
   33    HD2  HIS   3           HD2      HIS   3  21.573   6.781   1.221
   34    HE1  HIS   3           HE1      HIS   3  17.969   8.505   2.581
   35    HE2  HIS   3           HE2      HIS   3  19.330   6.365   2.493
   36    H    THR   4           HN       THR   4  22.148   9.564   2.402
   37    HA   THR   4           HA       THR   4  22.185  11.732   4.417
   38    HB   THR   4           HB       THR   4  20.443  10.191   4.977
   39    HG1  THR   4           HG1      THR   4  21.688   9.016   6.794
   40   HG21  THR   4          HG21      THR   4  21.747   7.714   5.349
   41   HG22  THR   4          HG22      THR   4  22.230   8.284   3.751
   42   HG23  THR   4          HG23      THR   4  20.522   8.106   4.146
   43    H    ILE   5           HN       ILE   5  23.270   8.777   5.558
   44    HA   ILE   5           HA       ILE   5  26.081   9.656   5.344
   45    HB   ILE   5           HB       ILE   5  26.316   8.018   7.339
   46   HG12  ILE   5          HG12      ILE   5  23.524   8.696   8.033
   47   HG13  ILE   5          HG11      ILE   5  23.699   7.474   6.773
   48   HG21  ILE   5          HG21      ILE   5  26.605  10.388   7.634
   49   HG22  ILE   5          HG22      ILE   5  25.509   9.839   8.902
   50   HG23  ILE   5          HG23      ILE   5  24.870  10.674   7.486
   51   HD11  ILE   5          HD11      ILE   5  25.095   7.391   9.458
   52   HD12  ILE   5          HD12      ILE   5  25.159   6.149   8.208
   53   HD13  ILE   5          HD13      ILE   5  23.644   6.475   9.049
   54    H    TRP   6           HN       TRP   6  23.817   7.113   4.690
   55    HA   TRP   6           HA       TRP   6  25.291   4.840   4.425
   56    HB2  TRP   6           HB2      TRP   6  22.918   5.922   3.184
   57    HB3  TRP   6           HB1      TRP   6  23.849   4.987   2.016
   58    HD1  TRP   6           HD1      TRP   6  22.616   2.747   1.951
   59    HE1  TRP   6           HE1      TRP   6  21.979   0.960   3.690
   60    HE3  TRP   6           HE3      TRP   6  23.871   5.212   6.234
   61    HZ2  TRP   6           HZ2      TRP   6  22.001   0.623   6.525
   62    HZ3  TRP   6           HZ3      TRP   6  23.554   4.137   8.445
   63    HH2  TRP   6           HH2      TRP   6  22.621   1.845   8.596
   64    H    GLU   7           HN       GLU   7  24.861   7.067   1.668
   65    HA   GLU   7           HA       GLU   7  26.796   6.030   0.006
   66    HB2  GLU   7           HB2      GLU   7  25.465   8.634   0.322
   67    HB3  GLU   7           HB1      GLU   7  27.013   8.696  -0.521
   68    HG2  GLU   7           HG2      GLU   7  26.247   6.944  -2.075
   69    HG3  GLU   7           HG1      GLU   7  24.705   6.858  -1.223
   70    H    VAL   8           HN       VAL   8  27.310   7.463   3.032
   71    HA   VAL   8           HA       VAL   8  30.084   8.190   2.382
   72    HB   VAL   8           HB       VAL   8  28.786   8.636   5.056
   73   HG11  VAL   8          HG11      VAL   8  30.579   9.998   5.441
   74   HG12  VAL   8          HG12      VAL   8  30.648  10.550   3.768
   75   HG13  VAL   8          HG13      VAL   8  31.335   8.987   4.210
   76   HG21  VAL   8          HG21      VAL   8  28.099  10.865   4.226
   77   HG22  VAL   8          HG22      VAL   8  27.272   9.584   3.340
   78   HG23  VAL   8          HG23      VAL   8  28.637  10.425   2.606
   79    H    ILE   9           HN       ILE   9  28.176   6.055   4.467
   80    HA   ILE   9           HA       ILE   9  30.664   4.660   5.217
   81    HB   ILE   9           HB       ILE   9  29.795   5.316   7.239
   82   HG12  ILE   9          HG12      ILE   9  29.630   2.644   6.806
   83   HG13  ILE   9          HG11      ILE   9  29.267   3.400   8.344
   84   HG21  ILE   9          HG21      ILE   9  27.892   6.502   6.535
   85   HG22  ILE   9          HG22      ILE   9  27.299   5.332   7.705
   86   HG23  ILE   9          HG23      ILE   9  27.076   5.044   5.977
   87   HD11  ILE   9          HD11      ILE   9  26.926   3.320   7.982
   88   HD12  ILE   9          HD12      ILE   9  27.520   1.750   7.446
   89   HD13  ILE   9          HD13      ILE   9  27.116   2.985   6.263
   90    H    ALA  10           HN       ALA  10  27.277   4.195   4.267
   91    HA   ALA  10           HA       ALA  10  27.520   1.366   3.924
   92    HB1  ALA  10           HB1      ALA  10  25.529   3.277   2.679
   93    HB2  ALA  10           HB2      ALA  10  25.348   2.506   4.255
   94    HB3  ALA  10           HB3      ALA  10  25.364   1.525   2.791
   95    H    GLY  11           HN       GLY  11  26.989   3.873   1.425
   96    HA2  GLY  11           HA2      GLY  11  27.691   2.341  -0.780
   97    HA3  GLY  11           HA1      GLY  11  27.895   4.091  -0.691
   98    H    LEU  12           HN       LEU  12  29.588   3.360   1.819
   99    HA   LEU  12           HA       LEU  12  32.099   3.076   0.328
  100    HB2  LEU  12           HB2      LEU  12  31.678   5.057   1.887
  101    HB3  LEU  12           HB1      LEU  12  31.805   3.903   3.216
  102    HG   LEU  12           HG       LEU  12  34.019   3.227   1.815
  103   HD11  LEU  12          HD11      LEU  12  33.616   5.007   0.139
  104   HD12  LEU  12          HD12      LEU  12  35.113   5.285   1.031
  105   HD13  LEU  12          HD13      LEU  12  33.667   6.216   1.423
  106   HD21  LEU  12          HD21      LEU  12  33.764   5.493   3.820
  107   HD22  LEU  12          HD22      LEU  12  35.263   4.649   3.433
  108   HD23  LEU  12          HD23      LEU  12  33.937   3.781   4.207
  109    H    VAL  13           HN       VAL  13  30.069   1.558   2.716
  110    HA   VAL  13           HA       VAL  13  32.112  -0.551   3.116
  111    HB   VAL  13           HB       VAL  13  29.816   0.255   4.919
  112   HG11  VAL  13          HG11      VAL  13  30.078  -2.092   5.167
  113   HG12  VAL  13          HG12      VAL  13  31.039  -1.396   6.472
  114   HG13  VAL  13          HG13      VAL  13  31.832  -1.992   5.014
  115   HG21  VAL  13          HG21      VAL  13  31.428   1.222   6.324
  116   HG22  VAL  13          HG22      VAL  13  32.032   1.654   4.725
  117   HG23  VAL  13          HG23      VAL  13  32.749   0.303   5.602
  118    H    ALA  14           HN       ALA  14  28.566  -0.104   3.016
  119    HA   ALA  14           HA       ALA  14  27.728  -2.688   2.742
  120    HB1  ALA  14           HB1      ALA  14  26.093  -0.942   2.773
  121    HB2  ALA  14           HB2      ALA  14  25.916  -1.766   1.224
  122    HB3  ALA  14           HB3      ALA  14  26.749  -0.213   1.308
  123    H    LEU  15           HN       LEU  15  28.899  -0.589   0.107
  124    HA   LEU  15           HA       LEU  15  28.672  -2.543  -1.926
  125    HB2  LEU  15           HB2      LEU  15  28.942  -0.112  -2.369
  126    HB3  LEU  15           HB1      LEU  15  30.594  -0.204  -1.764
  127    HG   LEU  15           HG       LEU  15  31.139  -1.859  -3.531
  128   HD11  LEU  15          HD11      LEU  15  28.211  -1.557  -4.054
  129   HD12  LEU  15          HD12      LEU  15  29.226  -2.995  -4.159
  130   HD13  LEU  15          HD13      LEU  15  29.275  -1.787  -5.444
  131   HD21  LEU  15          HD21      LEU  15  30.631   0.911  -3.836
  132   HD22  LEU  15          HD22      LEU  15  30.050   0.133  -5.308
  133   HD23  LEU  15          HD23      LEU  15  31.722  -0.090  -4.794
  134    H    LEU  16           HN       LEU  16  31.092  -1.848   0.486
  135    HA   LEU  16           HA       LEU  16  32.960  -3.786  -0.668
  136    HB2  LEU  16           HB2      LEU  16  33.344  -2.195   1.863
  137    HB3  LEU  16           HB1      LEU  16  34.577  -2.928   0.835
  138    HG   LEU  16           HG       LEU  16  32.783  -0.591   0.128
  139   HD11  LEU  16          HD11      LEU  16  34.746   0.725   0.193
  140   HD12  LEU  16          HD12      LEU  16  35.799  -0.689   0.154
  141   HD13  LEU  16          HD13      LEU  16  34.884  -0.310   1.614
  142   HD21  LEU  16          HD21      LEU  16  34.325  -0.628  -1.963
  143   HD22  LEU  16          HD22      LEU  16  32.994  -1.784  -1.895
  144   HD23  LEU  16          HD23      LEU  16  34.637  -2.306  -1.519
  145    H    THR  17           HN       THR  17  30.272  -4.012   1.105
  146    HA   THR  17           HA       THR  17  31.307  -6.274   2.703
  147    HB   THR  17           HB       THR  17  29.431  -4.079   3.468
  148    HG1  THR  17           HG1      THR  17  30.878  -5.310   5.381
  149   HG21  THR  17          HG21      THR  17  27.968  -5.891   3.865
  150   HG22  THR  17          HG22      THR  17  28.778  -5.653   5.413
  151   HG23  THR  17          HG23      THR  17  29.287  -6.959   4.345
  152    H    PHE  18           HN       PHE  18  28.220  -4.917   1.534
  153    HA   PHE  18           HA       PHE  18  26.610  -7.088   1.504
  154    HB2  PHE  18           HB2      PHE  18  26.281  -4.672   0.510
  155    HB3  PHE  18           HB1      PHE  18  26.708  -5.460  -1.008
  156    HD1  PHE  18           HD1      PHE  18  24.450  -5.830   1.956
  157    HD2  PHE  18           HD2      PHE  18  25.075  -6.639  -2.216
  158    HE1  PHE  18           HE1      PHE  18  22.154  -6.753   1.791
  159    HE2  PHE  18           HE2      PHE  18  22.780  -7.561  -2.381
  160    HZ   PHE  18           HZ       PHE  18  21.319  -7.618  -0.378
  161    H    LEU  19           HN       LEU  19  28.958  -6.308  -1.067
  162    HA   LEU  19           HA       LEU  19  28.464  -8.715  -2.539
  163    HB2  LEU  19           HB2      LEU  19  30.571  -6.570  -2.623
  164    HB3  LEU  19           HB1      LEU  19  30.756  -8.033  -3.586
  165    HG   LEU  19           HG       LEU  19  29.629  -6.121  -4.796
  166   HD11  LEU  19          HD11      LEU  19  28.995  -8.852  -4.812
  167   HD12  LEU  19          HD12      LEU  19  28.584  -7.673  -6.056
  168   HD13  LEU  19          HD13      LEU  19  27.434  -8.033  -4.768
  169   HD21  LEU  19          HD21      LEU  19  27.433  -5.432  -4.168
  170   HD22  LEU  19          HD22      LEU  19  28.379  -5.411  -2.680
  171   HD23  LEU  19          HD23      LEU  19  27.276  -6.747  -3.005
  172    H    ALA  20           HN       ALA  20  31.144  -7.656  -0.431
  173    HA   ALA  20           HA       ALA  20  32.776  -9.852  -0.530
  174    HB1  ALA  20           HB1      ALA  20  32.489  -9.057   2.225
  175    HB2  ALA  20           HB2      ALA  20  32.464  -7.635   1.182
  176    HB3  ALA  20           HB3      ALA  20  33.826  -8.755   1.117
  177    H    PHE  21           HN       PHE  21  30.049  -9.436   1.744
  178    HA   PHE  21           HA       PHE  21  30.211 -12.196   2.587
  179    HB2  PHE  21           HB2      PHE  21  28.272  -9.963   3.209
  180    HB3  PHE  21           HB1      PHE  21  28.131 -11.588   3.882
  181    HD1  PHE  21           HD2      PHE  21  30.551  -8.756   3.514
  182    HD2  PHE  21           HD1      PHE  21  29.340 -12.180   5.808
  183    HE1  PHE  21           HE2      PHE  21  32.227  -8.185   5.250
  184    HE2  PHE  21           HE1      PHE  21  31.015 -11.609   7.544
  185    HZ   PHE  21           HZ       PHE  21  32.460  -9.612   7.264
  186    H    GLY  22           HN       GLY  22  28.149 -10.238   0.493
  187    HA2  GLY  22           HA2      GLY  22  26.054 -12.022   0.052
  188    HA3  GLY  22           HA1      GLY  22  26.620 -10.838  -1.121
  189    H    PHE  23           HN       PHE  23  29.147 -11.727  -1.688
  190    HA   PHE  23           HA       PHE  23  28.748 -13.658  -3.633
  191    HB2  PHE  23           HB2      PHE  23  31.029 -12.306  -2.448
  192    HB3  PHE  23           HB1      PHE  23  31.417 -13.972  -2.873
  193    HD1  PHE  23           HD1      PHE  23  30.331 -14.741  -5.224
  194    HD2  PHE  23           HD2      PHE  23  31.319 -10.707  -4.127
  195    HE1  PHE  23           HE1      PHE  23  30.442 -14.116  -7.621
  196    HE2  PHE  23           HE2      PHE  23  31.431 -10.083  -6.524
  197    HZ   PHE  23           HZ       PHE  23  30.992 -11.788  -8.271
  198    H    TRP  24           HN       TRP  24  28.985 -14.027  -0.256
  199    HA   TRP  24           HA       TRP  24  29.519 -16.913  -0.497
  200    HB2  TRP  24           HB2      TRP  24  31.021 -15.889   1.058
  201    HB3  TRP  24           HB1      TRP  24  29.702 -15.023   1.849
  202    HD1  TRP  24           HD1      TRP  24  30.392 -18.727   0.976
  203    HE1  TRP  24           HE1      TRP  24  29.749 -20.168   3.019
  204    HE3  TRP  24           HE3      TRP  24  28.822 -15.073   4.155
  205    HZ2  TRP  24           HZ2      TRP  24  28.704 -19.808   5.653
  206    HZ3  TRP  24           HZ3      TRP  24  28.005 -15.641   6.430
  207    HH2  TRP  24           HH2      TRP  24  27.944 -18.004   7.180
  208    H    LEU  25           HN       LEU  25  27.716 -14.986   1.861
  209    HA   LEU  25           HA       LEU  25  25.887 -16.506   2.902
  210    HB2  LEU  25           HB2      LEU  25  25.618 -13.804   1.734
  211    HB3  LEU  25           HB1      LEU  25  24.111 -14.626   2.139
  212    HG   LEU  25           HG       LEU  25  26.400 -14.570   4.096
  213   HD11  LEU  25          HD11      LEU  25  24.218 -12.478   3.823
  214   HD12  LEU  25          HD12      LEU  25  25.920 -12.224   3.436
  215   HD13  LEU  25          HD13      LEU  25  25.433 -12.548   5.100
  216   HD21  LEU  25          HD21      LEU  25  23.992 -15.871   4.107
  217   HD22  LEU  25          HD22      LEU  25  23.573 -14.380   4.948
  218   HD23  LEU  25          HD23      LEU  25  24.867 -15.406   5.564
  219    H    PHE  26           HN       PHE  26  25.241 -15.269  -0.393
  220    HA   PHE  26           HA       PHE  26  23.049 -17.090  -0.759
  221    HB2  PHE  26           HB2      PHE  26  24.485 -15.662  -2.984
  222    HB3  PHE  26           HB1      PHE  26  22.778 -16.087  -2.867
  223    HD1  PHE  26           HD1      PHE  26  21.750 -15.168  -0.457
  224    HD2  PHE  26           HD2      PHE  26  24.881 -13.370  -2.786
  225    HE1  PHE  26           HE1      PHE  26  21.261 -12.972   0.581
  226    HE2  PHE  26           HE2      PHE  26  24.392 -11.174  -1.746
  227    HZ   PHE  26           HZ       PHE  26  22.586 -10.977  -0.060
  228    H    LYS  27           HN       LYS  27  26.098 -16.777  -2.585
  229    HA   LYS  27           HA       LYS  27  25.994 -19.124  -3.997
  230    HB2  LYS  27           HB2      LYS  27  28.563 -18.103  -2.784
  231    HB3  LYS  27           HB1      LYS  27  28.341 -18.941  -4.320
  232    HG2  LYS  27           HG2      LYS  27  27.412 -16.142  -3.620
  233    HG3  LYS  27           HG1      LYS  27  28.635 -16.592  -4.806
  234    HD2  LYS  27           HD2      LYS  27  26.718 -17.976  -5.904
  235    HD3  LYS  27           HD1      LYS  27  25.650 -16.949  -4.946
  236    HE2  LYS  27           HE2      LYS  27  27.296 -15.063  -5.982
  237    HE3  LYS  27           HE1      LYS  27  27.350 -16.255  -7.280
  238    HZ1  LYS  27           HZ1      LYS  27  25.271 -15.791  -7.866
  239    HZ2  LYS  27           HZ2      LYS  27  25.385 -14.415  -6.878
  240    HZ3  LYS  27           HZ3      LYS  27  24.705 -15.848  -6.269
  241    H    TYR  28           HN       TYR  28  26.108 -18.886  -0.628
  242    HA   TYR  28           HA       TYR  28  27.107 -21.668  -0.386
  243    HB2  TYR  28           HB2      TYR  28  28.536 -20.767   1.101
  244    HB3  TYR  28           HB1      TYR  28  27.629 -19.260   1.194
  245    HD1  TYR  28           HD2      TYR  28  27.508 -22.832   2.279
  246    HD2  TYR  28           HD1      TYR  28  26.294 -18.792   3.070
  247    HE1  TYR  28           HE2      TYR  28  26.551 -23.544   4.456
  248    HE2  TYR  28           HE1      TYR  28  25.339 -19.498   5.243
  249    HH   TYR  28           HH       TYR  28  25.984 -21.755   6.888
  250    H    LEU  29           HN       LEU  29  24.828 -19.337   1.058
  251    HA   LEU  29           HA       LEU  29  23.295 -21.476   2.268
  252    HB2  LEU  29           HB2      LEU  29  23.703 -19.056   3.171
  253    HB3  LEU  29           HB1      LEU  29  22.368 -18.625   2.103
  254    HG   LEU  29           HG       LEU  29  21.341 -20.835   3.314
  255   HD11  LEU  29          HD11      LEU  29  23.331 -21.019   4.790
  256   HD12  LEU  29          HD12      LEU  29  21.858 -20.704   5.706
  257   HD13  LEU  29          HD13      LEU  29  23.002 -19.397   5.404
  258   HD21  LEU  29          HD21      LEU  29  20.131 -18.764   3.116
  259   HD22  LEU  29          HD22      LEU  29  21.266 -17.933   4.181
  260   HD23  LEU  29          HD23      LEU  29  20.181 -19.163   4.834
  261    H    GLN  30           HN       GLN  30  22.826 -19.075  -0.310
  262    HA   GLN  30           HA       GLN  30  20.203 -19.981  -1.004
  263    HB2  GLN  30           HB2      GLN  30  20.919 -17.712  -1.517
  264    HB3  GLN  30           HB1      GLN  30  22.208 -18.326  -2.549
  265    HG2  GLN  30           HG2      GLN  30  20.796 -18.849  -4.255
  266    HG3  GLN  30           HG1      GLN  30  19.492 -19.324  -3.170
  267   HE21  GLN  30          HE21      GLN  30  20.983 -16.195  -2.632
  268   HE22  GLN  30          HE22      GLN  30  19.702 -15.268  -3.250
  269    H    LYS  31           HN       LYS  31  23.334 -21.177  -1.603
  270    HA   LYS  31           HA       LYS  31  22.381 -22.778  -3.901
  271    HB2  LYS  31           HB2      LYS  31  25.039 -21.677  -3.127
  272    HB3  LYS  31           HB1      LYS  31  25.005 -23.232  -3.960
  273    HG2  LYS  31           HG2      LYS  31  25.175 -21.317  -5.544
  274    HG3  LYS  31           HG1      LYS  31  23.705 -22.261  -5.788
  275    HD2  LYS  31           HD2      LYS  31  22.335 -20.623  -4.825
  276    HD3  LYS  31           HD1      LYS  31  23.675 -19.884  -3.947
  277    HE2  LYS  31           HE2      LYS  31  24.506 -18.808  -5.860
  278    HE3  LYS  31           HE1      LYS  31  23.664 -19.903  -6.956
  279    HZ1  LYS  31           HZ1      LYS  31  22.200 -18.099  -5.128
  280    HZ2  LYS  31           HZ2      LYS  31  21.623 -18.894  -6.515
  281    HZ3  LYS  31           HZ3      LYS  31  22.703 -17.591  -6.666
  282    H    LYS  32           HN       LYS  32  24.205 -22.954  -0.855
  283    HA   LYS  32           HA       LYS  32  24.778 -24.763   0.464
  284    HB2  LYS  32           HB2      LYS  32  21.935 -24.677   0.039
  285    HB3  LYS  32           HB1      LYS  32  22.455 -26.354   0.216
  286    HG2  LYS  32           HG2      LYS  32  23.576 -25.837   2.312
  287    HG3  LYS  32           HG1      LYS  32  23.227 -24.120   2.115
  288    HD2  LYS  32           HD2      LYS  32  20.778 -25.604   1.867
  289    HD3  LYS  32           HD1      LYS  32  21.595 -26.082   3.355
  290    HE2  LYS  32           HE2      LYS  32  21.838 -23.691   3.973
  291    HE3  LYS  32           HE1      LYS  32  20.961 -23.240   2.511
  292    HZ1  LYS  32           HZ1      LYS  32  19.019 -23.782   3.426
  293    HZ2  LYS  32           HZ2      LYS  32  19.836 -23.757   4.915
  294    HZ3  LYS  32           HZ3      LYS  32  19.613 -25.224   4.090
  Start of MODEL   14
    1    H1   LYS   1           HT1      LYS   1  17.909  17.167  -2.436
    2    H2   LYS   1           HT2      LYS   1  19.173  17.041  -3.563
    3    H3   LYS   1           HT3      LYS   1  19.096  18.376  -2.515
    4    HA   LYS   1           HA       LYS   1  20.579  17.227  -1.311
    5    HB2  LYS   1           HB2      LYS   1  19.448  15.696   0.313
    6    HB3  LYS   1           HB1      LYS   1  18.603  17.231   0.111
    7    HG2  LYS   1           HG2      LYS   1  17.620  15.439  -1.879
    8    HG3  LYS   1           HG1      LYS   1  17.597  14.589  -0.335
    9    HD2  LYS   1           HD2      LYS   1  16.353  16.427   0.696
   10    HD3  LYS   1           HD1      LYS   1  16.430  17.348  -0.806
   11    HE2  LYS   1           HE2      LYS   1  14.658  16.247  -1.654
   12    HE3  LYS   1           HE1      LYS   1  15.387  14.684  -1.287
   13    HZ1  LYS   1           HZ1      LYS   1  14.508  16.004   1.074
   14    HZ2  LYS   1           HZ2      LYS   1  14.106  14.460   0.491
   15    HZ3  LYS   1           HZ3      LYS   1  13.232  15.821  -0.028
   16    H    LYS   2           HN       LYS   2  21.810  15.297  -0.977
   17    HA   LYS   2           HA       LYS   2  21.760  13.530  -3.286
   18    HB2  LYS   2           HB2      LYS   2  23.892  14.478  -2.409
   19    HB3  LYS   2           HB1      LYS   2  23.654  13.555  -0.925
   20    HG2  LYS   2           HG2      LYS   2  23.301  11.770  -3.127
   21    HG3  LYS   2           HG1      LYS   2  24.798  12.667  -3.390
   22    HD2  LYS   2           HD2      LYS   2  24.074  11.235  -0.817
   23    HD3  LYS   2           HD1      LYS   2  25.163  10.599  -2.051
   24    HE2  LYS   2           HE2      LYS   2  26.009  13.252  -1.464
   25    HE3  LYS   2           HE1      LYS   2  25.761  12.429   0.077
   26    HZ1  LYS   2           HZ1      LYS   2  26.999  10.588  -1.537
   27    HZ2  LYS   2           HZ2      LYS   2  27.711  11.464  -0.268
   28    HZ3  LYS   2           HZ3      LYS   2  27.807  12.044  -1.862
   29    H    HIS   3           HN       HIS   3  22.266  12.804   0.167
   30    HA   HIS   3           HA       HIS   3  20.056  10.961   0.258
   31    HB2  HIS   3           HB2      HIS   3  21.888   9.713  -0.997
   32    HB3  HIS   3           HB1      HIS   3  22.813   9.758   0.504
   33    HD2  HIS   3           HD2      HIS   3  22.351   6.841   0.551
   34    HE1  HIS   3           HE1      HIS   3  18.338   7.258   1.790
   35    HE2  HIS   3           HE2      HIS   3  20.254   5.616   1.510
   36    H    THR   4           HN       THR   4  22.142   9.497   2.185
   37    HA   THR   4           HA       THR   4  21.823  11.398   4.430
   38    HB   THR   4           HB       THR   4  20.156   9.715   4.774
   39    HG1  THR   4           HG1      THR   4  20.790   9.478   6.744
   40   HG21  THR   4          HG21      THR   4  20.393   7.722   3.763
   41   HG22  THR   4          HG22      THR   4  21.604   7.296   4.970
   42   HG23  THR   4          HG23      THR   4  22.098   8.040   3.450
   43    H    ILE   5           HN       ILE   5  23.041   8.444   5.393
   44    HA   ILE   5           HA       ILE   5  25.819   9.446   5.240
   45    HB   ILE   5           HB       ILE   5  26.106   7.856   7.253
   46   HG12  ILE   5          HG12      ILE   5  23.288   8.370   7.949
   47   HG13  ILE   5          HG11      ILE   5  23.507   7.193   6.654
   48   HG21  ILE   5          HG21      ILE   5  26.317  10.131   7.739
   49   HG22  ILE   5          HG22      ILE   5  24.942   9.677   8.745
   50   HG23  ILE   5          HG23      ILE   5  24.677  10.498   7.206
   51   HD11  ILE   5          HD11      ILE   5  25.096   7.051   9.214
   52   HD12  ILE   5          HD12      ILE   5  24.858   5.789   8.006
   53   HD13  ILE   5          HD13      ILE   5  23.521   6.274   9.051
   54    H    TRP   6           HN       TRP   6  23.651   6.872   4.490
   55    HA   TRP   6           HA       TRP   6  25.201   4.627   4.318
   56    HB2  TRP   6           HB2      TRP   6  22.818   5.607   3.026
   57    HB3  TRP   6           HB1      TRP   6  23.807   4.717   1.870
   58    HD1  TRP   6           HD1      TRP   6  22.697   2.415   1.777
   59    HE1  TRP   6           HE1      TRP   6  22.100   0.600   3.502
   60    HE3  TRP   6           HE3      TRP   6  23.717   4.940   6.086
   61    HZ2  TRP   6           HZ2      TRP   6  22.060   0.267   6.337
   62    HZ3  TRP   6           HZ3      TRP   6  23.392   3.853   8.290
   63    HH2  TRP   6           HH2      TRP   6  22.564   1.519   8.422
   64    H    GLU   7           HN       GLU   7  24.903   7.059   1.718
   65    HA   GLU   7           HA       GLU   7  26.861   5.972   0.036
   66    HB2  GLU   7           HB2      GLU   7  25.300   8.390   0.203
   67    HB3  GLU   7           HB1      GLU   7  26.947   8.751  -0.316
   68    HG2  GLU   7           HG2      GLU   7  25.228   6.578  -1.541
   69    HG3  GLU   7           HG1      GLU   7  25.384   8.201  -2.211
   70    H    VAL   8           HN       VAL   8  27.274   7.225   3.092
   71    HA   VAL   8           HA       VAL   8  30.030   8.122   2.549
   72    HB   VAL   8           HB       VAL   8  28.562   8.469   5.157
   73   HG11  VAL   8          HG11      VAL   8  31.121   8.781   4.788
   74   HG12  VAL   8          HG12      VAL   8  30.231  10.054   5.625
   75   HG13  VAL   8          HG13      VAL   8  30.655  10.246   3.922
   76   HG21  VAL   8          HG21      VAL   8  27.193   9.470   3.349
   77   HG22  VAL   8          HG22      VAL   8  28.609  10.345   2.767
   78   HG23  VAL   8          HG23      VAL   8  27.930  10.719   4.350
   79    H    ILE   9           HN       ILE   9  28.098   5.901   4.506
   80    HA   ILE   9           HA       ILE   9  30.581   4.554   5.346
   81    HB   ILE   9           HB       ILE   9  29.595   5.140   7.336
   82   HG12  ILE   9          HG12      ILE   9  29.511   2.472   6.831
   83   HG13  ILE   9          HG11      ILE   9  29.067   3.184   8.368
   84   HG21  ILE   9          HG21      ILE   9  26.948   4.833   5.931
   85   HG22  ILE   9          HG22      ILE   9  27.700   6.299   6.556
   86   HG23  ILE   9          HG23      ILE   9  27.079   5.092   7.673
   87   HD11  ILE   9          HD11      ILE   9  26.745   3.068   7.901
   88   HD12  ILE   9          HD12      ILE   9  27.395   1.521   7.362
   89   HD13  ILE   9          HD13      ILE   9  27.015   2.772   6.188
   90    H    ALA  10           HN       ALA  10  27.248   4.016   4.239
   91    HA   ALA  10           HA       ALA  10  27.605   1.206   3.833
   92    HB1  ALA  10           HB1      ALA  10  25.383   2.309   4.127
   93    HB2  ALA  10           HB2      ALA  10  25.471   1.290   2.692
   94    HB3  ALA  10           HB3      ALA  10  25.580   3.042   2.534
   95    H    GLY  11           HN       GLY  11  27.039   3.748   1.383
   96    HA2  GLY  11           HA2      GLY  11  27.841   2.313  -0.842
   97    HA3  GLY  11           HA1      GLY  11  27.995   4.063  -0.696
   98    H    LEU  12           HN       LEU  12  29.668   3.340   1.818
   99    HA   LEU  12           HA       LEU  12  32.202   3.131   0.356
  100    HB2  LEU  12           HB2      LEU  12  31.707   5.088   1.927
  101    HB3  LEU  12           HB1      LEU  12  31.878   3.927   3.244
  102    HG   LEU  12           HG       LEU  12  34.112   3.320   1.898
  103   HD11  LEU  12          HD11      LEU  12  35.122   5.259   0.882
  104   HD12  LEU  12          HD12      LEU  12  33.780   6.287   1.383
  105   HD13  LEU  12          HD13      LEU  12  33.531   5.056   0.148
  106   HD21  LEU  12          HD21      LEU  12  35.288   4.960   3.401
  107   HD22  LEU  12          HD22      LEU  12  34.076   3.988   4.234
  108   HD23  LEU  12          HD23      LEU  12  33.717   5.657   3.794
  109    H    VAL  13           HN       VAL  13  30.187   1.546   2.714
  110    HA   VAL  13           HA       VAL  13  32.277  -0.521   3.094
  111    HB   VAL  13           HB       VAL  13  29.982   0.168   4.947
  112   HG11  VAL  13          HG11      VAL  13  30.456  -2.138   5.208
  113   HG12  VAL  13          HG12      VAL  13  31.395  -1.351   6.477
  114   HG13  VAL  13          HG13      VAL  13  32.190  -1.890   4.999
  115   HG21  VAL  13          HG21      VAL  13  32.885   0.466   5.644
  116   HG22  VAL  13          HG22      VAL  13  31.492   1.347   6.270
  117   HG23  VAL  13          HG23      VAL  13  32.127   1.724   4.668
  118    H    ALA  14           HN       ALA  14  28.724  -0.128   3.073
  119    HA   ALA  14           HA       ALA  14  27.923  -2.723   2.811
  120    HB1  ALA  14           HB1      ALA  14  26.856  -0.327   1.295
  121    HB2  ALA  14           HB2      ALA  14  26.320  -0.892   2.877
  122    HB3  ALA  14           HB3      ALA  14  26.023  -1.876   1.443
  123    H    LEU  15           HN       LEU  15  29.191  -0.632   0.235
  124    HA   LEU  15           HA       LEU  15  28.878  -2.559  -1.838
  125    HB2  LEU  15           HB2      LEU  15  29.166  -0.112  -2.243
  126    HB3  LEU  15           HB1      LEU  15  30.833  -0.247  -1.688
  127    HG   LEU  15           HG       LEU  15  31.281  -1.902  -3.488
  128   HD11  LEU  15          HD11      LEU  15  28.354  -1.494  -3.933
  129   HD12  LEU  15          HD12      LEU  15  29.323  -2.957  -4.106
  130   HD13  LEU  15          HD13      LEU  15  29.374  -1.715  -5.356
  131   HD21  LEU  15          HD21      LEU  15  30.212   0.831  -4.184
  132   HD22  LEU  15          HD22      LEU  15  30.901  -0.221  -5.421
  133   HD23  LEU  15          HD23      LEU  15  31.891   0.306  -4.060
  134    H    LEU  16           HN       LEU  16  31.368  -1.844   0.514
  135    HA   LEU  16           HA       LEU  16  33.221  -3.767  -0.663
  136    HB2  LEU  16           HB2      LEU  16  33.554  -2.279   1.939
  137    HB3  LEU  16           HB1      LEU  16  34.810  -2.985   0.922
  138    HG   LEU  16           HG       LEU  16  33.051  -0.614   0.236
  139   HD11  LEU  16          HD11      LEU  16  35.022  -0.288   1.804
  140   HD12  LEU  16          HD12      LEU  16  35.089   0.660   0.318
  141   HD13  LEU  16          HD13      LEU  16  36.064  -0.801   0.477
  142   HD21  LEU  16          HD21      LEU  16  34.685  -0.592  -1.793
  143   HD22  LEU  16          HD22      LEU  16  33.334  -1.726  -1.822
  144   HD23  LEU  16          HD23      LEU  16  34.951  -2.291  -1.399
  145    H    THR  17           HN       THR  17  30.558  -3.902   1.276
  146    HA   THR  17           HA       THR  17  31.546  -6.271   2.742
  147    HB   THR  17           HB       THR  17  29.674  -4.080   3.507
  148    HG1  THR  17           HG1      THR  17  30.899  -5.216   5.519
  149   HG21  THR  17          HG21      THR  17  28.895  -5.678   5.375
  150   HG22  THR  17          HG22      THR  17  29.426  -6.977   4.311
  151   HG23  THR  17          HG23      THR  17  28.154  -5.874   3.787
  152    H    PHE  18           HN       PHE  18  28.438  -4.930   1.602
  153    HA   PHE  18           HA       PHE  18  26.942  -7.200   1.456
  154    HB2  PHE  18           HB2      PHE  18  26.385  -4.749   0.757
  155    HB3  PHE  18           HB1      PHE  18  26.865  -5.286  -0.855
  156    HD1  PHE  18           HD1      PHE  18  24.495  -5.856   1.938
  157    HD2  PHE  18           HD2      PHE  18  25.518  -6.834  -2.118
  158    HE1  PHE  18           HE1      PHE  18  22.293  -6.957   1.646
  159    HE2  PHE  18           HE2      PHE  18  23.318  -7.936  -2.409
  160    HZ   PHE  18           HZ       PHE  18  21.703  -7.997  -0.527
  161    H    LEU  19           HN       LEU  19  29.314  -6.100  -0.951
  162    HA   LEU  19           HA       LEU  19  28.815  -8.283  -2.747
  163    HB2  LEU  19           HB2      LEU  19  30.935  -6.157  -2.539
  164    HB3  LEU  19           HB1      LEU  19  31.088  -7.467  -3.705
  165    HG   LEU  19           HG       LEU  19  29.977  -5.392  -4.620
  166   HD11  LEU  19          HD11      LEU  19  29.304  -8.077  -5.022
  167   HD12  LEU  19          HD12      LEU  19  28.862  -6.725  -6.064
  168   HD13  LEU  19          HD13      LEU  19  27.752  -7.272  -4.807
  169   HD21  LEU  19          HD21      LEU  19  27.623  -6.219  -2.917
  170   HD22  LEU  19          HD22      LEU  19  27.819  -4.742  -3.856
  171   HD23  LEU  19          HD23      LEU  19  28.768  -4.987  -2.390
  172    H    ALA  20           HN       ALA  20  30.722  -7.859   0.091
  173    HA   ALA  20           HA       ALA  20  32.508 -10.079  -0.519
  174    HB1  ALA  20           HB1      ALA  20  32.565  -7.856   1.239
  175    HB2  ALA  20           HB2      ALA  20  33.811  -9.081   1.003
  176    HB3  ALA  20           HB3      ALA  20  32.577  -9.307   2.241
  177    H    PHE  21           HN       PHE  21  29.917  -9.347   1.807
  178    HA   PHE  21           HA       PHE  21  29.871 -12.062   2.799
  179    HB2  PHE  21           HB2      PHE  21  28.147  -9.634   3.308
  180    HB3  PHE  21           HB1      PHE  21  27.838 -11.204   4.049
  181    HD1  PHE  21           HD2      PHE  21  30.654  -8.788   3.488
  182    HD2  PHE  21           HD1      PHE  21  28.865 -11.702   6.091
  183    HE1  PHE  21           HE2      PHE  21  32.383  -8.319   5.202
  184    HE2  PHE  21           HE1      PHE  21  30.594 -11.231   7.804
  185    HZ   PHE  21           HZ       PHE  21  32.352  -9.540   7.359
  186    H    GLY  22           HN       GLY  22  28.016 -10.073   0.564
  187    HA2  GLY  22           HA2      GLY  22  25.809 -11.812   0.222
  188    HA3  GLY  22           HA1      GLY  22  26.337 -10.591  -0.928
  189    H    PHE  23           HN       PHE  23  28.750 -11.369  -1.756
  190    HA   PHE  23           HA       PHE  23  28.351 -13.234  -3.708
  191    HB2  PHE  23           HB2      PHE  23  30.356 -12.172  -4.020
  192    HB3  PHE  23           HB1      PHE  23  30.760 -12.206  -2.303
  193    HD1  PHE  23           HD1      PHE  23  30.725 -14.151  -5.441
  194    HD2  PHE  23           HD2      PHE  23  31.848 -14.121  -1.294
  195    HE1  PHE  23           HE1      PHE  23  32.103 -16.181  -5.798
  196    HE2  PHE  23           HE2      PHE  23  33.225 -16.149  -1.653
  197    HZ   PHE  23           HZ       PHE  23  33.354 -17.181  -3.906
  198    H    TRP  24           HN       TRP  24  29.197 -13.784  -0.349
  199    HA   TRP  24           HA       TRP  24  29.546 -16.646  -0.762
  200    HB2  TRP  24           HB2      TRP  24  31.068 -15.706   0.797
  201    HB3  TRP  24           HB1      TRP  24  29.781 -14.840   1.640
  202    HD1  TRP  24           HD1      TRP  24  30.466 -18.537   0.722
  203    HE1  TRP  24           HE1      TRP  24  29.867 -19.993   2.767
  204    HE3  TRP  24           HE3      TRP  24  28.912 -14.913   3.943
  205    HZ2  TRP  24           HZ2      TRP  24  28.862 -19.656   5.420
  206    HZ3  TRP  24           HZ3      TRP  24  28.137 -15.499   6.228
  207    HH2  TRP  24           HH2      TRP  24  28.111 -17.865   6.966
  208    H    LEU  25           HN       LEU  25  27.658 -14.782   1.603
  209    HA   LEU  25           HA       LEU  25  25.935 -16.412   2.691
  210    HB2  LEU  25           HB2      LEU  25  25.502 -13.736   1.505
  211    HB3  LEU  25           HB1      LEU  25  24.057 -14.635   1.969
  212    HG   LEU  25           HG       LEU  25  26.397 -14.433   3.843
  213   HD11  LEU  25          HD11      LEU  25  25.306 -12.451   4.863
  214   HD12  LEU  25          HD12      LEU  25  24.140 -12.431   3.541
  215   HD13  LEU  25          HD13      LEU  25  25.846 -12.124   3.218
  216   HD21  LEU  25          HD21      LEU  25  24.058 -15.844   3.961
  217   HD22  LEU  25          HD22      LEU  25  23.595 -14.356   4.787
  218   HD23  LEU  25          HD23      LEU  25  24.957 -15.308   5.380
  219    H    PHE  26           HN       PHE  26  25.277 -15.273  -0.632
  220    HA   PHE  26           HA       PHE  26  23.079 -17.064  -0.958
  221    HB2  PHE  26           HB2      PHE  26  24.620 -15.839  -3.231
  222    HB3  PHE  26           HB1      PHE  26  22.899 -16.207  -3.138
  223    HD1  PHE  26           HD1      PHE  26  21.859 -15.090  -0.789
  224    HD2  PHE  26           HD2      PHE  26  25.051 -13.546  -3.217
  225    HE1  PHE  26           HE1      PHE  26  21.412 -12.812   0.072
  226    HE2  PHE  26           HE2      PHE  26  24.603 -11.268  -2.353
  227    HZ   PHE  26           HZ       PHE  26  22.786 -10.901  -0.708
  228    H    LYS  27           HN       LYS  27  26.143 -16.985  -2.785
  229    HA   LYS  27           HA       LYS  27  25.908 -19.481  -3.946
  230    HB2  LYS  27           HB2      LYS  27  28.342 -17.875  -3.195
  231    HB3  LYS  27           HB1      LYS  27  28.443 -19.383  -4.107
  232    HG2  LYS  27           HG2      LYS  27  27.261 -18.512  -5.935
  233    HG3  LYS  27           HG1      LYS  27  26.550 -17.213  -4.976
  234    HD2  LYS  27           HD2      LYS  27  28.422 -15.886  -5.127
  235    HD3  LYS  27           HD1      LYS  27  29.523 -17.262  -5.213
  236    HE2  LYS  27           HE2      LYS  27  29.088 -15.815  -7.364
  237    HE3  LYS  27           HE1      LYS  27  29.164 -17.571  -7.501
  238    HZ1  LYS  27           HZ1      LYS  27  26.976 -17.724  -7.919
  239    HZ2  LYS  27           HZ2      LYS  27  27.138 -16.107  -8.412
  240    HZ3  LYS  27           HZ3      LYS  27  26.559 -16.470  -6.857
  241    H    TYR  28           HN       TYR  28  25.941 -19.061  -0.695
  242    HA   TYR  28           HA       TYR  28  27.130 -21.734  -0.262
  243    HB2  TYR  28           HB2      TYR  28  28.673 -20.692   1.003
  244    HB3  TYR  28           HB1      TYR  28  27.747 -19.195   1.063
  245    HD1  TYR  28           HD1      TYR  28  27.701 -22.697   2.396
  246    HD2  TYR  28           HD2      TYR  28  26.691 -18.577   3.052
  247    HE1  TYR  28           HE1      TYR  28  26.960 -23.245   4.700
  248    HE2  TYR  28           HE2      TYR  28  25.946 -19.122   5.354
  249    HH   TYR  28           HH       TYR  28  26.770 -21.551   7.021
  250    H    LEU  29           HN       LEU  29  24.716 -19.345   0.747
  251    HA   LEU  29           HA       LEU  29  23.337 -21.443   2.289
  252    HB2  LEU  29           HB2      LEU  29  23.886 -18.928   3.053
  253    HB3  LEU  29           HB1      LEU  29  22.320 -18.655   2.289
  254    HG   LEU  29           HG       LEU  29  22.900 -20.700   4.451
  255   HD11  LEU  29          HD11      LEU  29  21.528 -18.005   4.455
  256   HD12  LEU  29          HD12      LEU  29  22.893 -18.527   5.443
  257   HD13  LEU  29          HD13      LEU  29  21.287 -19.196   5.735
  258   HD21  LEU  29          HD21      LEU  29  20.259 -20.627   4.403
  259   HD22  LEU  29          HD22      LEU  29  21.132 -21.644   3.257
  260   HD23  LEU  29          HD23      LEU  29  20.506 -20.075   2.747
  261    H    GLN  30           HN       GLN  30  22.833 -19.118  -0.332
  262    HA   GLN  30           HA       GLN  30  20.094 -19.761  -0.764
  263    HB2  GLN  30           HB2      GLN  30  20.917 -17.677  -1.599
  264    HB3  GLN  30           HB1      GLN  30  22.171 -18.481  -2.544
  265    HG2  GLN  30           HG2      GLN  30  20.714 -19.176  -4.171
  266    HG3  GLN  30           HG1      GLN  30  19.354 -19.293  -3.056
  267   HE21  GLN  30          HE21      GLN  30  21.129 -16.314  -2.841
  268   HE22  GLN  30          HE22      GLN  30  20.026 -15.359  -3.707
  269    H    LYS  31           HN       LYS  31  23.063 -21.284  -1.703
  270    HA   LYS  31           HA       LYS  31  21.822 -22.838  -3.828
  271    HB2  LYS  31           HB2      LYS  31  24.557 -22.398  -2.810
  272    HB3  LYS  31           HB1      LYS  31  24.234 -24.028  -3.403
  273    HG2  LYS  31           HG2      LYS  31  25.052 -22.565  -5.218
  274    HG3  LYS  31           HG1      LYS  31  23.399 -23.096  -5.530
  275    HD2  LYS  31           HD2      LYS  31  22.496 -21.000  -5.096
  276    HD3  LYS  31           HD1      LYS  31  23.824 -20.532  -4.035
  277    HE2  LYS  31           HE2      LYS  31  25.325 -20.396  -6.016
  278    HE3  LYS  31           HE1      LYS  31  23.960 -20.803  -7.054
  279    HZ1  LYS  31           HZ1      LYS  31  24.314 -18.416  -6.950
  280    HZ2  LYS  31           HZ2      LYS  31  24.123 -18.441  -5.262
  281    HZ3  LYS  31           HZ3      LYS  31  22.815 -18.830  -6.274
  282    H    LYS  32           HN       LYS  32  21.473 -22.959  -0.633
  283    HA   LYS  32           HA       LYS  32  21.804 -25.849  -0.305
  284    HB2  LYS  32           HB2      LYS  32  20.815 -23.774   1.664
  285    HB3  LYS  32           HB1      LYS  32  21.231 -25.444   2.038
  286    HG2  LYS  32           HG2      LYS  32  23.186 -23.461   0.837
  287    HG3  LYS  32           HG1      LYS  32  23.043 -23.749   2.568
  288    HD2  LYS  32           HD2      LYS  32  24.518 -25.433   2.313
  289    HD3  LYS  32           HD1      LYS  32  23.266 -26.314   1.441
  290    HE2  LYS  32           HE2      LYS  32  24.009 -25.079  -0.650
  291    HE3  LYS  32           HE1      LYS  32  25.392 -24.501   0.279
  292    HZ1  LYS  32           HZ1      LYS  32  24.723 -27.376   0.095
  293    HZ2  LYS  32           HZ2      LYS  32  26.189 -26.661   0.569
  294    HZ3  LYS  32           HZ3      LYS  32  25.705 -26.612  -1.058
  Start of MODEL   15
    1    H1   LYS   1           HT1      LYS   1  18.977  16.452  -4.244
    2    H2   LYS   1           HT2      LYS   1  20.521  16.067  -3.649
    3    H3   LYS   1           HT3      LYS   1  19.579  17.248  -2.874
    4    HA   LYS   1           HA       LYS   1  19.227  15.487  -1.485
    5    HB2  LYS   1           HB2      LYS   1  17.082  16.344  -2.542
    6    HB3  LYS   1           HB1      LYS   1  17.150  14.951  -3.623
    7    HG2  LYS   1           HG2      LYS   1  17.572  13.867  -1.083
    8    HG3  LYS   1           HG1      LYS   1  16.314  15.079  -0.836
    9    HD2  LYS   1           HD2      LYS   1  15.000  14.101  -2.679
   10    HD3  LYS   1           HD1      LYS   1  16.257  12.890  -2.934
   11    HE2  LYS   1           HE2      LYS   1  15.503  12.950  -0.147
   12    HE3  LYS   1           HE1      LYS   1  14.073  12.726  -1.152
   13    HZ1  LYS   1           HZ1      LYS   1  15.222  10.920  -2.296
   14    HZ2  LYS   1           HZ2      LYS   1  15.080  10.610  -0.631
   15    HZ3  LYS   1           HZ3      LYS   1  16.566  11.118  -1.279
   16    H    LYS   2           HN       LYS   2  21.353  14.471  -2.452
   17    HA   LYS   2           HA       LYS   2  21.209  12.269  -4.204
   18    HB2  LYS   2           HB2      LYS   2  23.311  13.430  -3.499
   19    HB3  LYS   2           HB1      LYS   2  23.160  12.653  -1.923
   20    HG2  LYS   2           HG2      LYS   2  22.834  10.611  -3.862
   21    HG3  LYS   2           HG1      LYS   2  24.231  11.563  -4.362
   22    HD2  LYS   2           HD2      LYS   2  23.809  10.413  -1.587
   23    HD3  LYS   2           HD1      LYS   2  24.875   9.732  -2.817
   24    HE2  LYS   2           HE2      LYS   2  25.542  12.472  -2.637
   25    HE3  LYS   2           HE1      LYS   2  25.393  11.895  -0.976
   26    HZ1  LYS   2           HZ1      LYS   2  27.530  11.302  -1.421
   27    HZ2  LYS   2           HZ2      LYS   2  27.251  11.063  -3.081
   28    HZ3  LYS   2           HZ3      LYS   2  26.747   9.895  -1.955
   29    H    HIS   3           HN       HIS   3  21.849  12.018  -0.707
   30    HA   HIS   3           HA       HIS   3  19.718  10.133  -0.281
   31    HB2  HIS   3           HB2      HIS   3  21.531   8.791  -1.469
   32    HB3  HIS   3           HB1      HIS   3  22.523   9.042  -0.031
   33    HD2  HIS   3           HD2      HIS   3  22.165   6.145   0.393
   34    HE1  HIS   3           HE1      HIS   3  18.193   6.587   1.750
   35    HE2  HIS   3           HE2      HIS   3  20.153   4.983   1.584
   36    H    THR   4           HN       THR   4  21.879   8.944   1.719
   37    HA   THR   4           HA       THR   4  21.631  11.109   3.724
   38    HB   THR   4           HB       THR   4  20.039   9.434   4.353
   39    HG1  THR   4           HG1      THR   4  20.786   9.515   6.293
   40   HG21  THR   4          HG21      THR   4  21.966   7.665   3.136
   41   HG22  THR   4          HG22      THR   4  20.290   7.341   3.577
   42   HG23  THR   4          HG23      THR   4  21.574   7.097   4.759
   43    H    ILE   5           HN       ILE   5  22.990   8.328   4.970
   44    HA   ILE   5           HA       ILE   5  25.723   9.376   4.550
   45    HB   ILE   5           HB       ILE   5  26.164   8.053   6.720
   46   HG12  ILE   5          HG12      ILE   5  23.374   8.558   7.514
   47   HG13  ILE   5          HG11      ILE   5  23.556   7.252   6.343
   48   HG21  ILE   5          HG21      ILE   5  26.337  10.306   7.104
   49   HG22  ILE   5          HG22      ILE   5  24.828  10.037   7.975
   50   HG23  ILE   5          HG23      ILE   5  24.795  10.660   6.326
   51   HD11  ILE   5          HD11      ILE   5  25.036   6.048   7.757
   52   HD12  ILE   5          HD12      ILE   5  23.735   6.596   8.813
   53   HD13  ILE   5          HD13      ILE   5  25.284   7.440   8.810
   54    H    TRP   6           HN       TRP   6  23.600   6.671   4.247
   55    HA   TRP   6           HA       TRP   6  25.211   4.464   4.247
   56    HB2  TRP   6           HB2      TRP   6  22.731   5.224   2.988
   57    HB3  TRP   6           HB1      TRP   6  23.683   4.228   1.889
   58    HD1  TRP   6           HD1      TRP   6  22.647   1.906   2.128
   59    HE1  TRP   6           HE1      TRP   6  22.196   0.293   4.081
   60    HE3  TRP   6           HE3      TRP   6  23.808   4.946   6.051
   61    HZ2  TRP   6           HZ2      TRP   6  22.314   0.294   6.934
   62    HZ3  TRP   6           HZ3      TRP   6  23.631   4.117   8.381
   63    HH2  TRP   6           HH2      TRP   6  22.885   1.795   8.827
   64    H    GLU   7           HN       GLU   7  24.682   6.553   1.400
   65    HA   GLU   7           HA       GLU   7  26.564   5.343  -0.273
   66    HB2  GLU   7           HB2      GLU   7  24.940   7.707  -0.271
   67    HB3  GLU   7           HB1      GLU   7  26.556   8.108  -0.855
   68    HG2  GLU   7           HG2      GLU   7  24.898   5.785  -1.873
   69    HG3  GLU   7           HG1      GLU   7  25.011   7.350  -2.675
   70    H    VAL   8           HN       VAL   8  27.102   7.050   2.581
   71    HA   VAL   8           HA       VAL   8  29.815   7.863   1.782
   72    HB   VAL   8           HB       VAL   8  28.487   8.479   4.418
   73   HG11  VAL   8          HG11      VAL   8  30.246   9.908   4.741
   74   HG12  VAL   8          HG12      VAL   8  30.363  10.313   3.030
   75   HG13  VAL   8          HG13      VAL   8  31.053   8.805   3.628
   76   HG21  VAL   8          HG21      VAL   8  27.009   9.262   2.596
   77   HG22  VAL   8          HG22      VAL   8  28.379  10.069   1.832
   78   HG23  VAL   8          HG23      VAL   8  27.790  10.624   3.399
   79    H    ILE   9           HN       ILE   9  28.060   5.849   4.107
   80    HA   ILE   9           HA       ILE   9  30.625   4.653   4.932
   81    HB   ILE   9           HB       ILE   9  29.744   5.452   6.898
   82   HG12  ILE   9          HG12      ILE   9  29.712   2.741   6.715
   83   HG13  ILE   9          HG11      ILE   9  29.351   3.622   8.183
   84   HG21  ILE   9          HG21      ILE   9  27.768   6.462   6.109
   85   HG22  ILE   9          HG22      ILE   9  27.258   5.385   7.402
   86   HG23  ILE   9          HG23      ILE   9  27.026   4.913   5.716
   87   HD11  ILE   9          HD11      ILE   9  27.173   2.901   6.216
   88   HD12  ILE   9          HD12      ILE   9  27.007   3.398   7.894
   89   HD13  ILE   9          HD13      ILE   9  27.668   1.812   7.506
   90    H    ALA  10           HN       ALA  10  27.243   3.896   4.132
   91    HA   ALA  10           HA       ALA  10  27.671   1.072   4.029
   92    HB1  ALA  10           HB1      ALA  10  25.517   2.696   2.658
   93    HB2  ALA  10           HB2      ALA  10  25.437   2.135   4.329
   94    HB3  ALA  10           HB3      ALA  10  25.475   0.968   3.009
   95    H    GLY  11           HN       GLY  11  26.908   3.309   1.344
   96    HA2  GLY  11           HA2      GLY  11  27.624   1.630  -0.744
   97    HA3  GLY  11           HA1      GLY  11  27.720   3.389  -0.816
   98    H    LEU  12           HN       LEU  12  29.549   2.965   1.682
   99    HA   LEU  12           HA       LEU  12  32.012   2.684   0.108
  100    HB2  LEU  12           HB2      LEU  12  31.537   4.803   1.453
  101    HB3  LEU  12           HB1      LEU  12  31.778   3.816   2.896
  102    HG   LEU  12           HG       LEU  12  33.965   3.128   1.390
  103   HD11  LEU  12          HD11      LEU  12  34.881   5.054   0.341
  104   HD12  LEU  12          HD12      LEU  12  33.683   6.120   1.075
  105   HD13  LEU  12          HD13      LEU  12  33.204   5.004  -0.203
  106   HD21  LEU  12          HD21      LEU  12  33.686   5.406   3.377
  107   HD22  LEU  12          HD22      LEU  12  35.208   4.639   2.928
  108   HD23  LEU  12          HD23      LEU  12  33.970   3.712   3.774
  109    H    VAL  13           HN       VAL  13  30.171   1.307   2.720
  110    HA   VAL  13           HA       VAL  13  32.383  -0.579   3.289
  111    HB   VAL  13           HB       VAL  13  30.032   0.216   5.022
  112   HG11  VAL  13          HG11      VAL  13  30.318  -1.909   5.801
  113   HG12  VAL  13          HG12      VAL  13  31.718  -1.208   6.614
  114   HG13  VAL  13          HG13      VAL  13  31.923  -2.062   5.084
  115   HG21  VAL  13          HG21      VAL  13  31.586   1.394   6.334
  116   HG22  VAL  13          HG22      VAL  13  32.156   1.726   4.699
  117   HG23  VAL  13          HG23      VAL  13  32.958   0.501   5.681
  118    H    ALA  14           HN       ALA  14  28.817  -0.444   3.099
  119    HA   ALA  14           HA       ALA  14  28.202  -3.105   3.130
  120    HB1  ALA  14           HB1      ALA  14  26.285  -2.581   1.683
  121    HB2  ALA  14           HB2      ALA  14  27.038  -1.050   1.229
  122    HB3  ALA  14           HB3      ALA  14  26.517  -1.319   2.893
  123    H    LEU  15           HN       LEU  15  29.293  -1.242   0.298
  124    HA   LEU  15           HA       LEU  15  29.274  -3.410  -1.521
  125    HB2  LEU  15           HB2      LEU  15  31.053  -0.959  -1.563
  126    HB3  LEU  15           HB1      LEU  15  30.654  -1.990  -2.939
  127    HG   LEU  15           HG       LEU  15  28.661  -0.388  -1.311
  128   HD11  LEU  15          HD11      LEU  15  28.740   1.256  -2.914
  129   HD12  LEU  15          HD12      LEU  15  29.132   0.122  -4.204
  130   HD13  LEU  15          HD13      LEU  15  30.391   0.665  -3.096
  131   HD21  LEU  15          HD21      LEU  15  27.291  -1.035  -3.489
  132   HD22  LEU  15          HD22      LEU  15  27.390  -2.152  -2.126
  133   HD23  LEU  15          HD23      LEU  15  28.427  -2.383  -3.535
  134    H    LEU  16           HN       LEU  16  31.538  -2.280   0.859
  135    HA   LEU  16           HA       LEU  16  33.566  -4.220   0.004
  136    HB2  LEU  16           HB2      LEU  16  33.776  -2.274   2.296
  137    HB3  LEU  16           HB1      LEU  16  35.083  -3.054   1.401
  138    HG   LEU  16           HG       LEU  16  33.159  -0.966   0.346
  139   HD11  LEU  16          HD11      LEU  16  34.985   0.504   0.326
  140   HD12  LEU  16          HD12      LEU  16  36.163  -0.809   0.378
  141   HD13  LEU  16          HD13      LEU  16  35.242  -0.391   1.823
  142   HD21  LEU  16          HD21      LEU  16  34.758  -1.180  -1.691
  143   HD22  LEU  16          HD22      LEU  16  33.506  -2.407  -1.486
  144   HD23  LEU  16          HD23      LEU  16  35.170  -2.755  -1.012
  145    H    THR  17           HN       THR  17  30.846  -4.429   1.660
  146    HA   THR  17           HA       THR  17  31.896  -6.506   3.448
  147    HB   THR  17           HB       THR  17  30.141  -4.196   4.282
  148    HG1  THR  17           HG1      THR  17  31.758  -3.967   5.816
  149   HG21  THR  17          HG21      THR  17  30.498  -6.933   5.483
  150   HG22  THR  17          HG22      THR  17  29.010  -6.017   5.243
  151   HG23  THR  17          HG23      THR  17  30.144  -5.542   6.508
  152    H    PHE  18           HN       PHE  18  28.717  -4.972   3.014
  153    HA   PHE  18           HA       PHE  18  27.148  -7.216   3.145
  154    HB2  PHE  18           HB2      PHE  18  26.519  -4.700   2.814
  155    HB3  PHE  18           HB1      PHE  18  26.508  -5.113   1.101
  156    HD1  PHE  18           HD1      PHE  18  25.284  -6.485   4.373
  157    HD2  PHE  18           HD2      PHE  18  24.507  -5.908   0.188
  158    HE1  PHE  18           HE1      PHE  18  23.046  -7.516   4.645
  159    HE2  PHE  18           HE2      PHE  18  22.270  -6.938   0.461
  160    HZ   PHE  18           HZ       PHE  18  21.539  -7.744   2.689
  161    H    LEU  19           HN       LEU  19  28.622  -5.849   0.202
  162    HA   LEU  19           HA       LEU  19  27.692  -7.964  -1.498
  163    HB2  LEU  19           HB2      LEU  19  29.649  -5.703  -1.785
  164    HB3  LEU  19           HB1      LEU  19  29.561  -6.952  -3.022
  165    HG   LEU  19           HG       LEU  19  28.091  -4.933  -3.451
  166   HD11  LEU  19          HD11      LEU  19  27.529  -7.673  -3.807
  167   HD12  LEU  19          HD12      LEU  19  26.792  -6.320  -4.663
  168   HD13  LEU  19          HD13      LEU  19  26.031  -6.962  -3.209
  169   HD21  LEU  19          HD21      LEU  19  26.186  -4.525  -2.096
  170   HD22  LEU  19          HD22      LEU  19  27.503  -4.773  -0.954
  171   HD23  LEU  19          HD23      LEU  19  26.349  -6.068  -1.260
  172    H    ALA  20           HN       ALA  20  30.876  -7.153  -0.107
  173    HA   ALA  20           HA       ALA  20  32.427  -9.158  -1.136
  174    HB1  ALA  20           HB1      ALA  20  33.801  -8.029   0.241
  175    HB2  ALA  20           HB2      ALA  20  33.222  -9.098   1.520
  176    HB3  ALA  20           HB3      ALA  20  32.469  -7.521   1.279
  177    H    PHE  21           HN       PHE  21  30.507  -9.413   1.870
  178    HA   PHE  21           HA       PHE  21  30.941 -12.271   2.002
  179    HB2  PHE  21           HB2      PHE  21  29.301 -10.353   3.665
  180    HB3  PHE  21           HB1      PHE  21  29.376 -12.089   3.975
  181    HD1  PHE  21           HD2      PHE  21  31.645  -9.161   3.378
  182    HD2  PHE  21           HD1      PHE  21  31.050 -12.910   5.386
  183    HE1  PHE  21           HE2      PHE  21  33.787  -8.852   4.587
  184    HE2  PHE  21           HE1      PHE  21  33.192 -12.601   6.595
  185    HZ   PHE  21           HZ       PHE  21  34.559 -10.572   6.196
  186    H    GLY  22           HN       GLY  22  28.363 -10.059   1.074
  187    HA2  GLY  22           HA2      GLY  22  26.210 -11.834   0.932
  188    HA3  GLY  22           HA1      GLY  22  26.404 -10.407  -0.081
  189    H    PHE  23           HN       PHE  23  28.688 -11.062  -1.497
  190    HA   PHE  23           HA       PHE  23  27.696 -12.565  -3.616
  191    HB2  PHE  23           HB2      PHE  23  30.215 -11.326  -2.910
  192    HB3  PHE  23           HB1      PHE  23  30.482 -12.871  -3.716
  193    HD1  PHE  23           HD2      PHE  23  28.748 -13.296  -5.754
  194    HD2  PHE  23           HD1      PHE  23  30.020  -9.459  -4.298
  195    HE1  PHE  23           HE2      PHE  23  28.160 -12.273  -7.935
  196    HE2  PHE  23           HE1      PHE  23  29.433  -8.437  -6.478
  197    HZ   PHE  23           HZ       PHE  23  28.501  -9.844  -8.296
  198    H    TRP  24           HN       TRP  24  28.907 -13.581  -0.606
  199    HA   TRP  24           HA       TRP  24  29.336 -16.326  -1.582
  200    HB2  TRP  24           HB2      TRP  24  31.228 -15.553  -0.337
  201    HB3  TRP  24           HB1      TRP  24  30.197 -14.936   0.957
  202    HD1  TRP  24           HD1      TRP  24  30.534 -18.352  -0.830
  203    HE1  TRP  24           HE1      TRP  24  30.517 -20.204   0.967
  204    HE3  TRP  24           HE3      TRP  24  30.094 -15.492   3.359
  205    HZ2  TRP  24           HZ2      TRP  24  30.340 -20.433   3.809
  206    HZ3  TRP  24           HZ3      TRP  24  30.001 -16.546   5.606
  207    HH2  TRP  24           HH2      TRP  24  30.124 -19.013   5.833
  208    H    LEU  25           HN       LEU  25  28.315 -15.030   1.550
  209    HA   LEU  25           HA       LEU  25  26.845 -16.834   2.709
  210    HB2  LEU  25           HB2      LEU  25  26.288 -13.955   2.298
  211    HB3  LEU  25           HB1      LEU  25  24.959 -14.923   2.938
  212    HG   LEU  25           HG       LEU  25  27.726 -15.174   4.096
  213   HD11  LEU  25          HD11      LEU  25  25.606 -13.165   4.919
  214   HD12  LEU  25          HD12      LEU  25  27.136 -12.769   4.137
  215   HD13  LEU  25          HD13      LEU  25  27.129 -13.460   5.759
  216   HD21  LEU  25          HD21      LEU  25  25.276 -15.296   5.755
  217   HD22  LEU  25          HD22      LEU  25  26.682 -16.363   5.742
  218   HD23  LEU  25          HD23      LEU  25  25.412 -16.563   4.534
  219    H    PHE  26           HN       PHE  26  25.261 -14.923   0.127
  220    HA   PHE  26           HA       PHE  26  23.028 -16.714   0.004
  221    HB2  PHE  26           HB2      PHE  26  23.813 -14.804  -2.186
  222    HB3  PHE  26           HB1      PHE  26  22.198 -15.305  -1.690
  223    HD1  PHE  26           HD2      PHE  26  21.989 -14.954   1.097
  224    HD2  PHE  26           HD1      PHE  26  24.217 -12.563  -1.691
  225    HE1  PHE  26           HE2      PHE  26  21.861 -13.028   2.648
  226    HE2  PHE  26           HE1      PHE  26  24.086 -10.635  -0.138
  227    HZ   PHE  26           HZ       PHE  26  22.914 -10.870   2.032
  228    H    LYS  27           HN       LYS  27  25.490 -15.942  -2.457
  229    HA   LYS  27           HA       LYS  27  24.914 -17.967  -4.239
  230    HB2  LYS  27           HB2      LYS  27  27.742 -17.089  -3.668
  231    HB3  LYS  27           HB1      LYS  27  27.048 -17.603  -5.204
  232    HG2  LYS  27           HG2      LYS  27  26.406 -15.051  -3.691
  233    HG3  LYS  27           HG1      LYS  27  27.257 -15.184  -5.228
  234    HD2  LYS  27           HD2      LYS  27  25.117 -16.372  -6.077
  235    HD3  LYS  27           HD1      LYS  27  24.342 -15.686  -4.647
  236    HE2  LYS  27           HE2      LYS  27  25.855 -14.079  -6.734
  237    HE3  LYS  27           HE1      LYS  27  24.097 -14.214  -6.642
  238    HZ1  LYS  27           HZ1      LYS  27  25.914 -12.668  -5.019
  239    HZ2  LYS  27           HZ2      LYS  27  24.743 -13.520  -4.129
  240    HZ3  LYS  27           HZ3      LYS  27  24.265 -12.425  -5.337
  241    H    TYR  28           HN       TYR  28  25.924 -18.425  -1.068
  242    HA   TYR  28           HA       TYR  28  26.985 -21.120  -1.710
  243    HB2  TYR  28           HB2      TYR  28  28.807 -20.409  -0.595
  244    HB3  TYR  28           HB1      TYR  28  27.960 -19.038   0.109
  245    HD1  TYR  28           HD1      TYR  28  28.033 -22.783   0.345
  246    HD2  TYR  28           HD2      TYR  28  27.567 -19.042   2.406
  247    HE1  TYR  28           HE1      TYR  28  27.903 -23.989   2.508
  248    HE2  TYR  28           HE2      TYR  28  27.441 -20.247   4.567
  249    HH   TYR  28           HH       TYR  28  27.850 -22.258   5.575
  250    H    LEU  29           HN       LEU  29  25.028 -19.233   0.574
  251    HA   LEU  29           HA       LEU  29  23.956 -21.718   1.710
  252    HB2  LEU  29           HB2      LEU  29  24.673 -19.467   2.971
  253    HB3  LEU  29           HB1      LEU  29  23.013 -19.026   2.589
  254    HG   LEU  29           HG       LEU  29  23.050 -20.055   4.779
  255   HD11  LEU  29          HD11      LEU  29  21.242 -20.659   3.022
  256   HD12  LEU  29          HD12      LEU  29  21.348 -21.649   4.476
  257   HD13  LEU  29          HD13      LEU  29  22.038 -22.233   2.962
  258   HD21  LEU  29          HD21      LEU  29  23.805 -22.755   4.028
  259   HD22  LEU  29          HD22      LEU  29  24.431 -21.746   5.331
  260   HD23  LEU  29          HD23      LEU  29  25.119 -21.626   3.716
  261    H    GLN  30           HN       GLN  30  22.893 -18.799   0.004
  262    HA   GLN  30           HA       GLN  30  20.140 -19.599  -0.112
  263    HB2  GLN  30           HB2      GLN  30  20.757 -17.247  -0.250
  264    HB3  GLN  30           HB1      GLN  30  21.684 -17.556  -1.715
  265    HG2  GLN  30           HG2      GLN  30  19.840 -17.666  -3.030
  266    HG3  GLN  30           HG1      GLN  30  18.890 -18.499  -1.799
  267   HE21  GLN  30          HE21      GLN  30  20.528 -15.483  -0.975
  268   HE22  GLN  30          HE22      GLN  30  19.123 -14.534  -0.895
  269    H    LYS  31           HN       LYS  31  22.967 -20.355  -1.923
  270    HA   LYS  31           HA       LYS  31  21.348 -21.455  -4.135
  271    HB2  LYS  31           HB2      LYS  31  24.154 -20.454  -3.915
  272    HB3  LYS  31           HB1      LYS  31  23.805 -21.721  -5.092
  273    HG2  LYS  31           HG2      LYS  31  23.571 -19.424  -6.050
  274    HG3  LYS  31           HG1      LYS  31  22.070 -20.350  -6.119
  275    HD2  LYS  31           HD2      LYS  31  21.087 -19.134  -4.370
  276    HD3  LYS  31           HD1      LYS  31  22.643 -18.577  -3.756
  277    HE2  LYS  31           HE2      LYS  31  22.933 -17.182  -5.781
  278    HE3  LYS  31           HE1      LYS  31  21.360 -17.722  -6.369
  279    HZ1  LYS  31           HZ1      LYS  31  21.561 -15.519  -5.042
  280    HZ2  LYS  31           HZ2      LYS  31  21.570 -16.542  -3.686
  281    HZ3  LYS  31           HZ3      LYS  31  20.252 -16.558  -4.755
  282    H    LYS  32           HN       LYS  32  23.992 -22.252  -1.897
  283    HA   LYS  32           HA       LYS  32  24.821 -24.269  -1.169
  284    HB2  LYS  32           HB2      LYS  32  21.954 -24.379  -1.070
  285    HB3  LYS  32           HB1      LYS  32  22.580 -25.976  -1.482
  286    HG2  LYS  32           HG2      LYS  32  24.153 -25.829   0.443
  287    HG3  LYS  32           HG1      LYS  32  23.439 -24.277   0.881
  288    HD2  LYS  32           HD2      LYS  32  21.940 -26.910   0.708
  289    HD3  LYS  32           HD1      LYS  32  22.455 -26.125   2.202
  290    HE2  LYS  32           HE2      LYS  32  20.291 -25.319   2.069
  291    HE3  LYS  32           HE1      LYS  32  21.129 -24.064   1.158
  292    HZ1  LYS  32           HZ1      LYS  32  20.180 -24.704  -0.746
  293    HZ2  LYS  32           HZ2      LYS  32  19.047 -25.499   0.240
  294    HZ3  LYS  32           HZ3      LYS  32  20.361 -26.357  -0.412
  Start of MODEL   16
    1    H1   LYS   1           HT1      LYS   1  23.362  19.481  -0.645
    2    H2   LYS   1           HT2      LYS   1  24.240  18.617  -1.815
    3    H3   LYS   1           HT3      LYS   1  23.993  17.951  -0.273
    4    HA   LYS   1           HA       LYS   1  21.492  18.214  -0.868
    5    HB2  LYS   1           HB2      LYS   1  22.569  17.681  -3.619
    6    HB3  LYS   1           HB1      LYS   1  20.979  18.274  -3.140
    7    HG2  LYS   1           HG2      LYS   1  22.327  20.342  -2.240
    8    HG3  LYS   1           HG1      LYS   1  23.569  19.779  -3.357
    9    HD2  LYS   1           HD2      LYS   1  22.388  21.124  -4.804
   10    HD3  LYS   1           HD1      LYS   1  21.461  19.636  -5.007
   11    HE2  LYS   1           HE2      LYS   1  19.968  20.448  -3.113
   12    HE3  LYS   1           HE1      LYS   1  20.788  22.004  -3.247
   13    HZ1  LYS   1           HZ1      LYS   1  20.091  22.192  -5.513
   14    HZ2  LYS   1           HZ2      LYS   1  18.722  21.862  -4.560
   15    HZ3  LYS   1           HZ3      LYS   1  19.424  20.631  -5.498
   16    H    LYS   2           HN       LYS   2  24.439  16.541  -1.259
   17    HA   LYS   2           HA       LYS   2  23.848  14.053  -2.211
   18    HB2  LYS   2           HB2      LYS   2  26.076  14.714  -1.379
   19    HB3  LYS   2           HB1      LYS   2  25.473  14.641   0.277
   20    HG2  LYS   2           HG2      LYS   2  25.239  12.310   0.229
   21    HG3  LYS   2           HG1      LYS   2  25.192  12.255  -1.534
   22    HD2  LYS   2           HD2      LYS   2  27.357  11.428  -0.622
   23    HD3  LYS   2           HD1      LYS   2  27.560  12.849  -1.650
   24    HE2  LYS   2           HE2      LYS   2  27.841  14.292   0.229
   25    HE3  LYS   2           HE1      LYS   2  27.262  13.061   1.352
   26    HZ1  LYS   2           HZ1      LYS   2  29.882  13.531   0.528
   27    HZ2  LYS   2           HZ2      LYS   2  29.424  12.022  -0.104
   28    HZ3  LYS   2           HZ3      LYS   2  29.317  12.315   1.566
   29    H    HIS   3           HN       HIS   3  23.506  12.000  -0.945
   30    HA   HIS   3           HA       HIS   3  20.978  11.993   0.270
   31    HB2  HIS   3           HB2      HIS   3  22.084  10.031  -0.815
   32    HB3  HIS   3           HB1      HIS   3  23.152   9.911   0.583
   33    HD2  HIS   3           HD2      HIS   3  21.760   7.360   1.072
   34    HE1  HIS   3           HE1      HIS   3  18.304   9.259   2.579
   35    HE2  HIS   3           HE2      HIS   3  19.514   7.037   2.367
   36    H    THR   4           HN       THR   4  22.534  10.064   2.360
   37    HA   THR   4           HA       THR   4  22.651  12.143   4.465
   38    HB   THR   4           HB       THR   4  20.823  10.658   4.930
   39    HG1  THR   4           HG1      THR   4  21.589   9.728   6.861
   40   HG21  THR   4          HG21      THR   4  20.831   8.577   4.089
   41   HG22  THR   4          HG22      THR   4  22.072   8.129   5.254
   42   HG23  THR   4          HG23      THR   4  22.533   8.727   3.660
   43    H    ILE   5           HN       ILE   5  23.572   9.160   5.593
   44    HA   ILE   5           HA       ILE   5  26.429   9.867   5.364
   45    HB   ILE   5           HB       ILE   5  26.588   8.241   7.362
   46   HG12  ILE   5          HG12      ILE   5  23.822   8.993   8.065
   47   HG13  ILE   5          HG11      ILE   5  23.946   7.802   6.771
   48   HG21  ILE   5          HG21      ILE   5  25.196  10.927   7.530
   49   HG22  ILE   5          HG22      ILE   5  26.930  10.621   7.635
   50   HG23  ILE   5          HG23      ILE   5  25.859  10.077   8.926
   51   HD11  ILE   5          HD11      ILE   5  25.280   6.340   8.142
   52   HD12  ILE   5          HD12      ILE   5  23.863   6.804   9.084
   53   HD13  ILE   5          HD13      ILE   5  25.420   7.567   9.400
   54    H    TRP   6           HN       TRP   6  24.027   7.464   4.684
   55    HA   TRP   6           HA       TRP   6  25.399   5.113   4.445
   56    HB2  TRP   6           HB2      TRP   6  23.046   6.274   3.249
   57    HB3  TRP   6           HB1      TRP   6  23.917   5.311   2.057
   58    HD1  TRP   6           HD1      TRP   6  22.624   3.108   2.011
   59    HE1  TRP   6           HE1      TRP   6  21.956   1.341   3.757
   60    HE3  TRP   6           HE3      TRP   6  24.022   5.527   6.276
   61    HZ2  TRP   6           HZ2      TRP   6  22.007   1.000   6.591
   62    HZ3  TRP   6           HZ3      TRP   6  23.701   4.461   8.490
   63    HH2  TRP   6           HH2      TRP   6  22.695   2.201   8.654
   64    H    GLU   7           HN       GLU   7  25.167   7.554   1.846
   65    HA   GLU   7           HA       GLU   7  27.004   6.318   0.112
   66    HB2  GLU   7           HB2      GLU   7  25.555   8.808   0.266
   67    HB3  GLU   7           HB1      GLU   7  27.192   9.078  -0.329
   68    HG2  GLU   7           HG2      GLU   7  25.322   6.957  -1.416
   69    HG3  GLU   7           HG1      GLU   7  25.532   8.549  -2.143
   70    H    VAL   8           HN       VAL   8  27.629   7.417   3.127
   71    HA   VAL   8           HA       VAL   8  30.390   8.238   2.470
   72    HB   VAL   8           HB       VAL   8  29.047   8.745   5.115
   73   HG11  VAL   8          HG11      VAL   8  31.013  10.588   3.877
   74   HG12  VAL   8          HG12      VAL   8  31.631   9.003   4.341
   75   HG13  VAL   8          HG13      VAL   8  30.876  10.044   5.549
   76   HG21  VAL   8          HG21      VAL   8  27.616   9.735   3.358
   77   HG22  VAL   8          HG22      VAL   8  29.029  10.519   2.651
   78   HG23  VAL   8          HG23      VAL   8  28.465  10.994   4.253
   79    H    ILE   9           HN       ILE   9  28.373   6.147   4.463
   80    HA   ILE   9           HA       ILE   9  30.794   4.673   5.285
   81    HB   ILE   9           HB       ILE   9  29.944   5.367   7.301
   82   HG12  ILE   9          HG12      ILE   9  29.623   2.710   6.872
   83   HG13  ILE   9          HG11      ILE   9  29.279   3.491   8.402
   84   HG21  ILE   9          HG21      ILE   9  28.126   6.670   6.582
   85   HG22  ILE   9          HG22      ILE   9  27.447   5.534   7.739
   86   HG23  ILE   9          HG23      ILE   9  27.229   5.267   6.007
   87   HD11  ILE   9          HD11      ILE   9  26.946   3.547   8.001
   88   HD12  ILE   9          HD12      ILE   9  27.454   1.944   7.470
   89   HD13  ILE   9          HD13      ILE   9  27.143   3.205   6.286
   90    H    ALA  10           HN       ALA  10  27.409   4.385   4.279
   91    HA   ALA  10           HA       ALA  10  27.533   1.536   3.937
   92    HB1  ALA  10           HB1      ALA  10  25.591   3.508   2.710
   93    HB2  ALA  10           HB2      ALA  10  25.408   2.782   4.308
   94    HB3  ALA  10           HB3      ALA  10  25.365   1.766   2.868
   95    H    GLY  11           HN       GLY  11  27.059   4.091   1.478
   96    HA2  GLY  11           HA2      GLY  11  27.662   2.570  -0.761
   97    HA3  GLY  11           HA1      GLY  11  27.941   4.309  -0.647
   98    H    LEU  12           HN       LEU  12  29.650   3.460   1.820
   99    HA   LEU  12           HA       LEU  12  32.115   3.083   0.272
  100    HB2  LEU  12           HB2      LEU  12  31.807   5.075   1.851
  101    HB3  LEU  12           HB1      LEU  12  31.932   3.908   3.167
  102    HG   LEU  12           HG       LEU  12  34.081   3.141   1.769
  103   HD11  LEU  12          HD11      LEU  12  33.844   6.110   1.190
  104   HD12  LEU  12          HD12      LEU  12  33.654   4.832  -0.011
  105   HD13  LEU  12          HD13      LEU  12  35.211   5.073   0.782
  106   HD21  LEU  12          HD21      LEU  12  34.108   3.852   4.111
  107   HD22  LEU  12          HD22      LEU  12  33.941   5.539   3.625
  108   HD23  LEU  12          HD23      LEU  12  35.415   4.653   3.239
  109    H    VAL  13           HN       VAL  13  30.078   1.649   2.713
  110    HA   VAL  13           HA       VAL  13  32.043  -0.543   3.053
  111    HB   VAL  13           HB       VAL  13  29.798   0.287   4.908
  112   HG11  VAL  13          HG11      VAL  13  30.083  -2.059   5.140
  113   HG12  VAL  13          HG12      VAL  13  31.063  -1.358   6.429
  114   HG13  VAL  13          HG13      VAL  13  31.833  -1.944   4.955
  115   HG21  VAL  13          HG21      VAL  13  32.067   1.655   4.636
  116   HG22  VAL  13          HG22      VAL  13  32.713   0.333   5.608
  117   HG23  VAL  13          HG23      VAL  13  31.400   1.329   6.235
  118    H    ALA  14           HN       ALA  14  28.517   0.044   3.005
  119    HA   ALA  14           HA       ALA  14  27.571  -2.503   2.748
  120    HB1  ALA  14           HB1      ALA  14  25.687  -1.596   1.515
  121    HB2  ALA  14           HB2      ALA  14  26.620  -0.167   1.073
  122    HB3  ALA  14           HB3      ALA  14  26.168  -0.438   2.755
  123    H    LEU  15           HN       LEU  15  28.816  -0.472   0.096
  124    HA   LEU  15           HA       LEU  15  28.479  -2.425  -1.925
  125    HB2  LEU  15           HB2      LEU  15  28.846  -0.007  -2.382
  126    HB3  LEU  15           HB1      LEU  15  30.501  -0.169  -1.801
  127    HG   LEU  15           HG       LEU  15  30.944  -1.859  -3.568
  128   HD11  LEU  15          HD11      LEU  15  29.057  -1.697  -5.455
  129   HD12  LEU  15          HD12      LEU  15  28.026  -1.416  -4.053
  130   HD13  LEU  15          HD13      LEU  15  28.971  -2.902  -4.169
  131   HD21  LEU  15          HD21      LEU  15  29.753   0.712  -4.654
  132   HD22  LEU  15          HD22      LEU  15  30.969  -0.292  -5.444
  133   HD23  LEU  15          HD23      LEU  15  31.367   0.569  -3.956
  134    H    LEU  16           HN       LEU  16  30.957  -1.812   0.450
  135    HA   LEU  16           HA       LEU  16  32.731  -3.830  -0.712
  136    HB2  LEU  16           HB2      LEU  16  33.210  -2.240   1.803
  137    HB3  LEU  16           HB1      LEU  16  34.400  -3.024   0.762
  138    HG   LEU  16           HG       LEU  16  32.680  -0.632   0.056
  139   HD11  LEU  16          HD11      LEU  16  35.692  -0.827   0.067
  140   HD12  LEU  16          HD12      LEU  16  34.797  -0.403   1.527
  141   HD13  LEU  16          HD13      LEU  16  34.687   0.621   0.096
  142   HD21  LEU  16          HD21      LEU  16  34.211  -0.737  -2.043
  143   HD22  LEU  16          HD22      LEU  16  32.840  -1.843  -1.958
  144   HD23  LEU  16          HD23      LEU  16  34.462  -2.423  -1.588
  145    H    THR  17           HN       THR  17  30.063  -3.929   1.112
  146    HA   THR  17           HA       THR  17  31.034  -6.213   2.716
  147    HB   THR  17           HB       THR  17  29.217  -3.962   3.467
  148    HG1  THR  17           HG1      THR  17  30.624  -5.106   5.420
  149   HG21  THR  17          HG21      THR  17  27.732  -5.735   3.919
  150   HG22  THR  17          HG22      THR  17  28.575  -5.499   5.449
  151   HG23  THR  17          HG23      THR  17  29.039  -6.825   4.385
  152    H    PHE  18           HN       PHE  18  27.991  -4.768   1.535
  153    HA   PHE  18           HA       PHE  18  26.313  -6.895   1.549
  154    HB2  PHE  18           HB2      PHE  18  26.027  -4.487   0.548
  155    HB3  PHE  18           HB1      PHE  18  26.453  -5.277  -0.972
  156    HD1  PHE  18           HD2      PHE  18  24.133  -5.524   1.948
  157    HD2  PHE  18           HD1      PHE  18  24.847  -6.520  -2.169
  158    HE1  PHE  18           HE2      PHE  18  21.824  -6.410   1.762
  159    HE2  PHE  18           HE1      PHE  18  22.538  -7.406  -2.354
  160    HZ   PHE  18           HZ       PHE  18  21.026  -7.350  -0.389
  161    H    LEU  19           HN       LEU  19  28.759  -6.242  -0.947
  162    HA   LEU  19           HA       LEU  19  28.161  -8.615  -2.451
  163    HB2  LEU  19           HB2      LEU  19  30.371  -6.573  -2.498
  164    HB3  LEU  19           HB1      LEU  19  30.488  -8.037  -3.469
  165    HG   LEU  19           HG       LEU  19  29.469  -6.057  -4.672
  166   HD11  LEU  19          HD11      LEU  19  28.703  -8.757  -4.720
  167   HD12  LEU  19          HD12      LEU  19  28.370  -7.549  -5.958
  168   HD13  LEU  19          HD13      LEU  19  27.186  -7.860  -4.691
  169   HD21  LEU  19          HD21      LEU  19  27.308  -5.264  -4.056
  170   HD22  LEU  19          HD22      LEU  19  28.230  -5.321  -2.553
  171   HD23  LEU  19          HD23      LEU  19  27.065  -6.592  -2.921
  172    H    ALA  20           HN       ALA  20  30.965  -7.673  -0.443
  173    HA   ALA  20           HA       ALA  20  32.446  -9.950  -0.463
  174    HB1  ALA  20           HB1      ALA  20  33.542  -8.798   1.109
  175    HB2  ALA  20           HB2      ALA  20  32.271  -9.180   2.271
  176    HB3  ALA  20           HB3      ALA  20  32.157  -7.719   1.290
  177    H    PHE  21           HN       PHE  21  29.791  -9.358   1.855
  178    HA   PHE  21           HA       PHE  21  29.790 -12.084   2.766
  179    HB2  PHE  21           HB2      PHE  21  27.900  -9.765   3.203
  180    HB3  PHE  21           HB1      PHE  21  27.665 -11.356   3.930
  181    HD1  PHE  21           HD2      PHE  21  30.259  -8.680   3.540
  182    HD2  PHE  21           HD1      PHE  21  28.703 -11.861   5.971
  183    HE1  PHE  21           HE2      PHE  21  31.870  -8.097   5.333
  184    HE2  PHE  21           HE1      PHE  21  30.315 -11.278   7.764
  185    HZ   PHE  21           HZ       PHE  21  31.898  -9.397   7.445
  186    H    GLY  22           HN       GLY  22  27.657 -10.112   0.720
  187    HA2  GLY  22           HA2      GLY  22  25.622 -11.859   0.171
  188    HA3  GLY  22           HA1      GLY  22  26.270 -10.734  -1.017
  189    H    PHE  23           HN       PHE  23  28.644 -11.585  -1.718
  190    HA   PHE  23           HA       PHE  23  28.368 -13.563  -3.543
  191    HB2  PHE  23           HB2      PHE  23  30.582 -12.246  -2.293
  192    HB3  PHE  23           HB1      PHE  23  30.960 -13.960  -2.454
  193    HD1  PHE  23           HD2      PHE  23  29.974 -14.965  -4.817
  194    HD2  PHE  23           HD1      PHE  23  31.250 -10.928  -4.097
  195    HE1  PHE  23           HE2      PHE  23  30.375 -14.659  -7.245
  196    HE2  PHE  23           HE1      PHE  23  31.653 -10.622  -6.523
  197    HZ   PHE  23           HZ       PHE  23  31.216 -12.488  -8.098
  198    H    TRP  24           HN       TRP  24  29.999 -14.229  -0.444
  199    HA   TRP  24           HA       TRP  24  29.896 -17.009  -0.596
  200    HB2  TRP  24           HB2      TRP  24  31.297 -16.080   1.064
  201    HB3  TRP  24           HB1      TRP  24  29.986 -15.115   1.745
  202    HD1  TRP  24           HD1      TRP  24  30.742 -18.869   1.174
  203    HE1  TRP  24           HE1      TRP  24  29.847 -20.182   3.205
  204    HE3  TRP  24           HE3      TRP  24  28.687 -15.050   3.848
  205    HZ2  TRP  24           HZ2      TRP  24  28.445 -19.675   5.640
  206    HZ3  TRP  24           HZ3      TRP  24  27.575 -15.486   6.023
  207    HH2  TRP  24           HH2      TRP  24  27.452 -17.794   6.921
  208    H    LEU  25           HN       LEU  25  27.832 -15.032   1.515
  209    HA   LEU  25           HA       LEU  25  25.995 -16.574   2.530
  210    HB2  LEU  25           HB2      LEU  25  25.692 -13.996   1.103
  211    HB3  LEU  25           HB1      LEU  25  24.207 -14.861   1.494
  212    HG   LEU  25           HG       LEU  25  26.345 -14.524   3.571
  213   HD11  LEU  25          HD11      LEU  25  25.896 -12.266   2.678
  214   HD12  LEU  25          HD12      LEU  25  25.244 -12.442   4.308
  215   HD13  LEU  25          HD13      LEU  25  24.167 -12.519   2.913
  216   HD21  LEU  25          HD21      LEU  25  24.709 -15.197   5.030
  217   HD22  LEU  25          HD22      LEU  25  24.015 -15.911   3.575
  218   HD23  LEU  25          HD23      LEU  25  23.438 -14.348   4.152
  219    H    PHE  26           HN       PHE  26  25.269 -15.455  -0.782
  220    HA   PHE  26           HA       PHE  26  23.284 -17.406  -1.198
  221    HB2  PHE  26           HB2      PHE  26  24.860 -16.207  -3.454
  222    HB3  PHE  26           HB1      PHE  26  23.150 -16.624  -3.398
  223    HD1  PHE  26           HD2      PHE  26  21.925 -15.440  -1.247
  224    HD2  PHE  26           HD1      PHE  26  25.311 -13.925  -3.415
  225    HE1  PHE  26           HE2      PHE  26  21.373 -13.144  -0.500
  226    HE2  PHE  26           HE1      PHE  26  24.758 -11.625  -2.662
  227    HZ   PHE  26           HZ       PHE  26  22.789 -11.234  -1.206
  228    H    LYS  27           HN       LYS  27  26.533 -17.234  -2.664
  229    HA   LYS  27           HA       LYS  27  26.458 -19.771  -3.845
  230    HB2  LYS  27           HB2      LYS  27  28.681 -17.912  -3.055
  231    HB3  LYS  27           HB1      LYS  27  29.041 -19.507  -3.713
  232    HG2  LYS  27           HG2      LYS  27  28.928 -17.682  -5.449
  233    HG3  LYS  27           HG1      LYS  27  27.823 -19.022  -5.744
  234    HD2  LYS  27           HD2      LYS  27  25.949 -17.762  -4.934
  235    HD3  LYS  27           HD1      LYS  27  27.003 -16.500  -4.297
  236    HE2  LYS  27           HE2      LYS  27  27.399 -15.583  -6.373
  237    HE3  LYS  27           HE1      LYS  27  27.208 -17.126  -7.205
  238    HZ1  LYS  27           HZ1      LYS  27  24.833 -17.014  -6.812
  239    HZ2  LYS  27           HZ2      LYS  27  25.359 -15.635  -7.654
  240    HZ3  LYS  27           HZ3      LYS  27  25.011 -15.538  -5.995
  241    H    TYR  28           HN       TYR  28  25.778 -19.678  -0.853
  242    HA   TYR  28           HA       TYR  28  27.244 -22.110  -0.191
  243    HB2  TYR  28           HB2      TYR  28  28.632 -21.043   1.219
  244    HB3  TYR  28           HB1      TYR  28  27.725 -19.541   1.102
  245    HD1  TYR  28           HD1      TYR  28  27.365 -22.981   2.551
  246    HD2  TYR  28           HD2      TYR  28  26.626 -18.775   3.006
  247    HE1  TYR  28           HE1      TYR  28  26.392 -23.395   4.797
  248    HE2  TYR  28           HE2      TYR  28  25.652 -19.189   5.251
  249    HH   TYR  28           HH       TYR  28  24.607 -21.041   6.487
  250    H    LEU  29           HN       LEU  29  24.812 -19.732   0.889
  251    HA   LEU  29           HA       LEU  29  23.321 -21.851   2.245
  252    HB2  LEU  29           HB2      LEU  29  23.564 -19.026   2.562
  253    HB3  LEU  29           HB1      LEU  29  21.877 -19.394   2.209
  254    HG   LEU  29           HG       LEU  29  23.536 -20.795   4.320
  255   HD11  LEU  29          HD11      LEU  29  22.224 -18.239   4.346
  256   HD12  LEU  29          HD12      LEU  29  23.076 -19.047   5.662
  257   HD13  LEU  29          HD13      LEU  29  21.354 -19.337   5.418
  258   HD21  LEU  29          HD21      LEU  29  20.704 -20.979   4.687
  259   HD22  LEU  29          HD22      LEU  29  21.847 -22.284   4.367
  260   HD23  LEU  29          HD23      LEU  29  21.070 -21.441   3.025
  261    H    GLN  30           HN       GLN  30  23.122 -19.811  -0.605
  262    HA   GLN  30           HA       GLN  30  20.447 -20.756  -1.276
  263    HB2  GLN  30           HB2      GLN  30  20.895 -18.474  -1.835
  264    HB3  GLN  30           HB1      GLN  30  22.387 -18.905  -2.659
  265    HG2  GLN  30           HG2      GLN  30  21.287 -19.842  -4.480
  266    HG3  GLN  30           HG1      GLN  30  19.784 -20.067  -3.581
  267   HE21  GLN  30          HE21      GLN  30  21.180 -16.995  -2.946
  268   HE22  GLN  30          HE22      GLN  30  20.219 -16.089  -4.009
  269    H    LYS  31           HN       LYS  31  23.533 -21.963  -1.555
  270    HA   LYS  31           HA       LYS  31  22.883 -23.477  -4.014
  271    HB2  LYS  31           HB2      LYS  31  25.408 -22.373  -2.912
  272    HB3  LYS  31           HB1      LYS  31  25.511 -23.960  -3.675
  273    HG2  LYS  31           HG2      LYS  31  25.896 -22.142  -5.312
  274    HG3  LYS  31           HG1      LYS  31  24.448 -23.068  -5.707
  275    HD2  LYS  31           HD2      LYS  31  23.006 -21.361  -5.016
  276    HD3  LYS  31           HD1      LYS  31  24.227 -20.616  -3.982
  277    HE2  LYS  31           HE2      LYS  31  25.501 -19.929  -5.984
  278    HE3  LYS  31           HE1      LYS  31  24.272 -20.660  -7.015
  279    HZ1  LYS  31           HZ1      LYS  31  22.646 -19.142  -6.176
  280    HZ2  LYS  31           HZ2      LYS  31  23.989 -18.244  -6.701
  281    HZ3  LYS  31           HZ3      LYS  31  23.736 -18.509  -5.042
  282    H    LYS  32           HN       LYS  32  22.345 -23.867  -0.952
  283    HA   LYS  32           HA       LYS  32  23.572 -26.525  -0.651
  284    HB2  LYS  32           HB2      LYS  32  22.882 -26.384   1.683
  285    HB3  LYS  32           HB1      LYS  32  23.769 -24.925   1.237
  286    HG2  LYS  32           HG2      LYS  32  21.995 -23.774   2.035
  287    HG3  LYS  32           HG1      LYS  32  21.141 -24.303   0.586
  288    HD2  LYS  32           HD2      LYS  32  20.397 -26.342   1.791
  289    HD3  LYS  32           HD1      LYS  32  21.203 -25.757   3.247
  290    HE2  LYS  32           HE2      LYS  32  19.777 -23.750   3.244
  291    HE3  LYS  32           HE1      LYS  32  18.978 -24.315   1.777
  292    HZ1  LYS  32           HZ1      LYS  32  18.993 -26.328   3.782
  293    HZ2  LYS  32           HZ2      LYS  32  17.676 -25.642   2.957
  294    HZ3  LYS  32           HZ3      LYS  32  18.276 -24.907   4.366
  Start of MODEL   17
    1    H1   LYS   1           HT1      LYS   1  23.827  17.293  -4.638
    2    H2   LYS   1           HT2      LYS   1  22.827  16.168  -5.429
    3    H3   LYS   1           HT3      LYS   1  24.416  15.744  -5.001
    4    HA   LYS   1           HA       LYS   1  22.989  16.623  -2.717
    5    HB2  LYS   1           HB2      LYS   1  21.270  14.961  -2.614
    6    HB3  LYS   1           HB1      LYS   1  21.091  15.752  -4.181
    7    HG2  LYS   1           HG2      LYS   1  22.665  13.867  -5.050
    8    HG3  LYS   1           HG1      LYS   1  22.218  13.029  -3.566
    9    HD2  LYS   1           HD2      LYS   1  19.767  13.830  -4.416
   10    HD3  LYS   1           HD1      LYS   1  20.582  13.622  -5.966
   11    HE2  LYS   1           HE2      LYS   1  20.325  11.554  -3.765
   12    HE3  LYS   1           HE1      LYS   1  19.554  11.510  -5.350
   13    HZ1  LYS   1           HZ1      LYS   1  21.408  10.167  -5.600
   14    HZ2  LYS   1           HZ2      LYS   1  22.408  11.184  -4.677
   15    HZ3  LYS   1           HZ3      LYS   1  21.930  11.648  -6.241
   16    H    LYS   2           HN       LYS   2  22.711  14.069  -1.572
   17    HA   LYS   2           HA       LYS   2  24.976  12.408  -2.030
   18    HB2  LYS   2           HB2      LYS   2  25.467  14.763  -0.499
   19    HB3  LYS   2           HB1      LYS   2  25.543  13.385   0.597
   20    HG2  LYS   2           HG2      LYS   2  27.015  13.557  -2.049
   21    HG3  LYS   2           HG1      LYS   2  27.741  13.888  -0.477
   22    HD2  LYS   2           HD2      LYS   2  26.344  11.354  -0.415
   23    HD3  LYS   2           HD1      LYS   2  27.507  11.378  -1.739
   24    HE2  LYS   2           HE2      LYS   2  28.096  12.041   1.160
   25    HE3  LYS   2           HE1      LYS   2  28.589  10.578   0.308
   26    HZ1  LYS   2           HZ1      LYS   2  29.584  12.358  -1.335
   27    HZ2  LYS   2           HZ2      LYS   2  30.447  11.821   0.027
   28    HZ3  LYS   2           HZ3      LYS   2  29.616  13.303   0.073
   29    H    HIS   3           HN       HIS   3  22.048  12.400  -1.433
   30    HA   HIS   3           HA       HIS   3  20.520  11.227  -0.171
   31    HB2  HIS   3           HB2      HIS   3  21.865   9.419  -1.236
   32    HB3  HIS   3           HB1      HIS   3  22.886   9.381   0.200
   33    HD2  HIS   3           HD2      HIS   3  21.751   6.686   0.553
   34    HE1  HIS   3           HE1      HIS   3  18.074   8.167   2.004
   35    HE2  HIS   3           HE2      HIS   3  19.510   6.088   1.757
   36    H    THR   4           HN       THR   4  22.222   9.429   1.936
   37    HA   THR   4           HA       THR   4  22.023  11.445   4.097
   38    HB   THR   4           HB       THR   4  20.307   9.768   4.394
   39    HG1  THR   4           HG1      THR   4  20.930   9.046   6.398
   40   HG21  THR   4          HG21      THR   4  22.289   8.059   3.237
   41   HG22  THR   4          HG22      THR   4  20.599   7.697   3.583
   42   HG23  THR   4          HG23      THR   4  21.830   7.397   4.806
   43    H    ILE   5           HN       ILE   5  23.124   8.602   5.313
   44    HA   ILE   5           HA       ILE   5  25.930   9.499   5.163
   45    HB   ILE   5           HB       ILE   5  26.130   7.926   7.194
   46   HG12  ILE   5          HG12      ILE   5  23.287   8.449   7.778
   47   HG13  ILE   5          HG11      ILE   5  23.557   7.265   6.499
   48   HG21  ILE   5          HG21      ILE   5  26.335  10.163   7.756
   49   HG22  ILE   5          HG22      ILE   5  24.837   9.777   8.603
   50   HG23  ILE   5          HG23      ILE   5  24.782  10.592   7.040
   51   HD11  ILE   5          HD11      ILE   5  25.048   7.134   9.118
   52   HD12  ILE   5          HD12      ILE   5  24.836   5.862   7.914
   53   HD13  ILE   5          HD13      ILE   5  23.471   6.370   8.909
   54    H    TRP   6           HN       TRP   6  23.733   6.949   4.387
   55    HA   TRP   6           HA       TRP   6  25.248   4.680   4.254
   56    HB2  TRP   6           HB2      TRP   6  22.900   5.684   2.930
   57    HB3  TRP   6           HB1      TRP   6  23.894   4.796   1.777
   58    HD1  TRP   6           HD1      TRP   6  22.781   2.499   1.651
   59    HE1  TRP   6           HE1      TRP   6  22.146   0.676   3.353
   60    HE3  TRP   6           HE3      TRP   6  23.738   4.992   5.995
   61    HZ2  TRP   6           HZ2      TRP   6  22.058   0.324   6.185
   62    HZ3  TRP   6           HZ3      TRP   6  23.372   3.891   8.186
   63    HH2  TRP   6           HH2      TRP   6  22.532   1.560   8.287
   64    H    GLU   7           HN       GLU   7  25.034   7.085   1.621
   65    HA   GLU   7           HA       GLU   7  27.045   5.941   0.018
   66    HB2  GLU   7           HB2      GLU   7  25.435   8.336   0.044
   67    HB3  GLU   7           HB1      GLU   7  27.088   8.708  -0.444
   68    HG2  GLU   7           HG2      GLU   7  25.441   6.457  -1.628
   69    HG3  GLU   7           HG1      GLU   7  25.590   8.055  -2.357
   70    H    VAL   8           HN       VAL   8  27.421   7.091   3.051
   71    HA   VAL   8           HA       VAL   8  30.159   8.085   2.552
   72    HB   VAL   8           HB       VAL   8  28.629   8.524   5.108
   73   HG11  VAL   8          HG11      VAL   8  31.239   8.938   4.466
   74   HG12  VAL   8          HG12      VAL   8  30.358   9.907   5.647
   75   HG13  VAL   8          HG13      VAL   8  30.543  10.487   3.992
   76   HG21  VAL   8          HG21      VAL   8  27.962  10.724   4.196
   77   HG22  VAL   8          HG22      VAL   8  27.259   9.417   3.244
   78   HG23  VAL   8          HG23      VAL   8  28.664  10.291   2.637
   79    H    ILE   9           HN       ILE   9  28.163   5.869   4.423
   80    HA   ILE   9           HA       ILE   9  30.615   4.563   5.413
   81    HB   ILE   9           HB       ILE   9  29.598   5.211   7.365
   82   HG12  ILE   9          HG12      ILE   9  29.475   2.536   6.940
   83   HG13  ILE   9          HG11      ILE   9  28.992   3.300   8.440
   84   HG21  ILE   9          HG21      ILE   9  27.750   6.389   6.522
   85   HG22  ILE   9          HG22      ILE   9  27.075   5.218   7.646
   86   HG23  ILE   9          HG23      ILE   9  26.981   4.928   5.906
   87   HD11  ILE   9          HD11      ILE   9  27.011   2.866   6.201
   88   HD12  ILE   9          HD12      ILE   9  26.686   3.206   7.895
   89   HD13  ILE   9          HD13      ILE   9  27.327   1.636   7.417
   90    H    ALA  10           HN       ALA  10  27.325   4.063   4.198
   91    HA   ALA  10           HA       ALA  10  27.641   1.227   3.887
   92    HB1  ALA  10           HB1      ALA  10  25.664   3.065   2.522
   93    HB2  ALA  10           HB2      ALA  10  25.431   2.353   4.118
   94    HB3  ALA  10           HB3      ALA  10  25.532   1.316   2.696
   95    H    GLY  11           HN       GLY  11  27.176   3.745   1.389
   96    HA2  GLY  11           HA2      GLY  11  28.001   2.256  -0.800
   97    HA3  GLY  11           HA1      GLY  11  28.173   4.007  -0.679
   98    H    LEU  12           HN       LEU  12  29.770   3.301   1.886
   99    HA   LEU  12           HA       LEU  12  32.348   3.060   0.507
  100    HB2  LEU  12           HB2      LEU  12  31.832   5.020   2.060
  101    HB3  LEU  12           HB1      LEU  12  31.910   3.857   3.384
  102    HG   LEU  12           HG       LEU  12  34.198   3.209   2.128
  103   HD11  LEU  12          HD11      LEU  12  35.304   5.233   1.306
  104   HD12  LEU  12          HD12      LEU  12  33.854   6.183   1.629
  105   HD13  LEU  12          HD13      LEU  12  33.834   4.942   0.377
  106   HD21  LEU  12          HD21      LEU  12  34.262   3.741   4.427
  107   HD22  LEU  12          HD22      LEU  12  33.611   5.360   4.161
  108   HD23  LEU  12          HD23      LEU  12  35.270   4.988   3.692
  109    H    VAL  13           HN       VAL  13  30.248   1.511   2.822
  110    HA   VAL  13           HA       VAL  13  32.276  -0.613   3.213
  111    HB   VAL  13           HB       VAL  13  30.011   0.139   5.076
  112   HG11  VAL  13          HG11      VAL  13  32.275  -1.869   5.258
  113   HG12  VAL  13          HG12      VAL  13  30.548  -2.223   5.214
  114   HG13  VAL  13          HG13      VAL  13  31.246  -1.416   6.617
  115   HG21  VAL  13          HG21      VAL  13  32.488   1.410   4.686
  116   HG22  VAL  13          HG22      VAL  13  32.725   0.383   6.099
  117   HG23  VAL  13          HG23      VAL  13  31.432   1.581   6.087
  118    H    ALA  14           HN       ALA  14  28.731  -0.142   3.284
  119    HA   ALA  14           HA       ALA  14  27.889  -2.724   2.980
  120    HB1  ALA  14           HB1      ALA  14  25.936  -1.828   1.755
  121    HB2  ALA  14           HB2      ALA  14  26.783  -0.296   1.544
  122    HB3  ALA  14           HB3      ALA  14  26.332  -0.840   3.161
  123    H    LEU  15           HN       LEU  15  29.078  -0.565   0.425
  124    HA   LEU  15           HA       LEU  15  28.675  -2.441  -1.687
  125    HB2  LEU  15           HB2      LEU  15  28.932   0.017  -2.046
  126    HB3  LEU  15           HB1      LEU  15  30.621  -0.118  -1.563
  127    HG   LEU  15           HG       LEU  15  31.006  -1.728  -3.418
  128   HD11  LEU  15          HD11      LEU  15  29.021  -1.514  -5.200
  129   HD12  LEU  15          HD12      LEU  15  28.060  -1.335  -3.733
  130   HD13  LEU  15          HD13      LEU  15  29.031  -2.785  -3.977
  131   HD21  LEU  15          HD21      LEU  15  31.353   0.733  -3.710
  132   HD22  LEU  15          HD22      LEU  15  29.712   0.855  -4.344
  133   HD23  LEU  15          HD23      LEU  15  30.927  -0.081  -5.215
  134    H    LEU  16           HN       LEU  16  31.243  -1.776   0.589
  135    HA   LEU  16           HA       LEU  16  33.044  -3.690  -0.699
  136    HB2  LEU  16           HB2      LEU  16  33.535  -2.184   1.868
  137    HB3  LEU  16           HB1      LEU  16  34.724  -2.886   0.769
  138    HG   LEU  16           HG       LEU  16  32.914  -0.520   0.211
  139   HD11  LEU  16          HD11      LEU  16  35.094  -0.321   1.616
  140   HD12  LEU  16          HD12      LEU  16  34.872   0.791   0.266
  141   HD13  LEU  16          HD13      LEU  16  35.925  -0.611   0.089
  142   HD21  LEU  16          HD21      LEU  16  34.386  -0.499  -1.938
  143   HD22  LEU  16          HD22      LEU  16  33.037  -1.633  -1.862
  144   HD23  LEU  16          HD23      LEU  16  34.682  -2.197  -1.565
  145    H    THR  17           HN       THR  17  30.431  -3.964   1.156
  146    HA   THR  17           HA       THR  17  31.500  -6.274   2.658
  147    HB   THR  17           HB       THR  17  29.703  -4.063   3.537
  148    HG1  THR  17           HG1      THR  17  32.052  -4.881   4.123
  149   HG21  THR  17          HG21      THR  17  29.438  -6.962   4.329
  150   HG22  THR  17          HG22      THR  17  28.163  -5.833   3.871
  151   HG23  THR  17          HG23      THR  17  28.979  -5.660   5.424
  152    H    PHE  18           HN       PHE  18  28.358  -4.886   1.686
  153    HA   PHE  18           HA       PHE  18  26.827  -7.139   1.588
  154    HB2  PHE  18           HB2      PHE  18  26.263  -4.674   0.957
  155    HB3  PHE  18           HB1      PHE  18  26.668  -5.181  -0.684
  156    HD1  PHE  18           HD2      PHE  18  24.416  -5.780   2.196
  157    HD2  PHE  18           HD1      PHE  18  25.252  -6.689  -1.919
  158    HE1  PHE  18           HE2      PHE  18  22.190  -6.848   1.979
  159    HE2  PHE  18           HE1      PHE  18  23.026  -7.758  -2.136
  160    HZ   PHE  18           HZ       PHE  18  21.493  -7.838  -0.186
  161    H    LEU  19           HN       LEU  19  29.124  -6.039  -0.879
  162    HA   LEU  19           HA       LEU  19  28.516  -8.177  -2.702
  163    HB2  LEU  19           HB2      LEU  19  30.673  -6.081  -2.546
  164    HB3  LEU  19           HB1      LEU  19  30.747  -7.366  -3.749
  165    HG   LEU  19           HG       LEU  19  29.631  -5.257  -4.565
  166   HD11  LEU  19          HD11      LEU  19  28.405  -6.530  -5.972
  167   HD12  LEU  19          HD12      LEU  19  27.365  -7.097  -4.666
  168   HD13  LEU  19          HD13      LEU  19  28.891  -7.912  -4.994
  169   HD21  LEU  19          HD21      LEU  19  27.535  -4.571  -3.682
  170   HD22  LEU  19          HD22      LEU  19  28.543  -4.877  -2.266
  171   HD23  LEU  19          HD23      LEU  19  27.343  -6.067  -2.769
  172    H    ALA  20           HN       ALA  20  30.560  -7.812   0.053
  173    HA   ALA  20           HA       ALA  20  32.294 -10.036  -0.670
  174    HB1  ALA  20           HB1      ALA  20  33.675  -9.092   0.817
  175    HB2  ALA  20           HB2      ALA  20  32.479  -9.294   2.099
  176    HB3  ALA  20           HB3      ALA  20  32.465  -7.841   1.100
  177    H    PHE  21           HN       PHE  21  29.823  -9.325   1.790
  178    HA   PHE  21           HA       PHE  21  29.806 -12.051   2.747
  179    HB2  PHE  21           HB2      PHE  21  28.102  -9.630   3.349
  180    HB3  PHE  21           HB1      PHE  21  27.825 -11.208   4.087
  181    HD1  PHE  21           HD2      PHE  21  30.613  -8.779   3.439
  182    HD2  PHE  21           HD1      PHE  21  28.929 -11.716   6.085
  183    HE1  PHE  21           HE2      PHE  21  32.399  -8.314   5.093
  184    HE2  PHE  21           HE1      PHE  21  30.716 -11.251   7.738
  185    HZ   PHE  21           HZ       PHE  21  32.451  -9.550   7.242
  186    H    GLY  22           HN       GLY  22  27.853 -10.030   0.630
  187    HA2  GLY  22           HA2      GLY  22  25.639 -11.767   0.356
  188    HA3  GLY  22           HA1      GLY  22  26.110 -10.519  -0.790
  189    H    PHE  23           HN       PHE  23  28.469 -11.267  -1.777
  190    HA   PHE  23           HA       PHE  23  27.971 -13.093  -3.736
  191    HB2  PHE  23           HB2      PHE  23  29.954 -11.998  -4.108
  192    HB3  PHE  23           HB1      PHE  23  30.461 -12.125  -2.423
  193    HD1  PHE  23           HD2      PHE  23  30.102 -13.995  -5.608
  194    HD2  PHE  23           HD1      PHE  23  31.707 -14.000  -1.624
  195    HE1  PHE  23           HE2      PHE  23  31.445 -16.006  -6.152
  196    HE2  PHE  23           HE1      PHE  23  33.049 -16.011  -2.168
  197    HZ   PHE  23           HZ       PHE  23  32.919 -17.016  -4.433
  198    H    TRP  24           HN       TRP  24  29.199 -13.732  -0.484
  199    HA   TRP  24           HA       TRP  24  29.447 -16.581  -0.947
  200    HB2  TRP  24           HB2      TRP  24  31.013 -15.669   0.586
  201    HB3  TRP  24           HB1      TRP  24  29.749 -14.829   1.487
  202    HD1  TRP  24           HD1      TRP  24  30.420 -18.505   0.465
  203    HE1  TRP  24           HE1      TRP  24  29.888 -20.007   2.493
  204    HE3  TRP  24           HE3      TRP  24  28.947 -14.960   3.810
  205    HZ2  TRP  24           HZ2      TRP  24  28.960 -19.732   5.181
  206    HZ3  TRP  24           HZ3      TRP  24  28.242 -15.600   6.102
  207    HH2  TRP  24           HH2      TRP  24  28.245 -17.982   6.790
  208    H    LEU  25           HN       LEU  25  27.673 -14.844   1.585
  209    HA   LEU  25           HA       LEU  25  25.975 -16.467   2.671
  210    HB2  LEU  25           HB2      LEU  25  25.474 -13.787   1.514
  211    HB3  LEU  25           HB1      LEU  25  24.060 -14.704   2.030
  212    HG   LEU  25           HG       LEU  25  26.461 -14.494   3.819
  213   HD11  LEU  25          HD11      LEU  25  25.454 -12.503   4.867
  214   HD12  LEU  25          HD12      LEU  25  24.192 -12.492   3.637
  215   HD13  LEU  25          HD13      LEU  25  25.868 -12.183   3.184
  216   HD21  LEU  25          HD21      LEU  25  24.150 -15.916   4.022
  217   HD22  LEU  25          HD22      LEU  25  23.674 -14.421   4.827
  218   HD23  LEU  25          HD23      LEU  25  25.060 -15.339   5.417
  219    H    PHE  26           HN       PHE  26  25.176 -15.275  -0.606
  220    HA   PHE  26           HA       PHE  26  23.028 -17.137  -0.883
  221    HB2  PHE  26           HB2      PHE  26  24.393 -15.745  -3.174
  222    HB3  PHE  26           HB1      PHE  26  22.699 -16.224  -3.026
  223    HD1  PHE  26           HD1      PHE  26  21.646 -15.278  -0.652
  224    HD2  PHE  26           HD2      PHE  26  24.740 -13.445  -3.000
  225    HE1  PHE  26           HE1      PHE  26  21.104 -13.081   0.350
  226    HE2  PHE  26           HE2      PHE  26  24.198 -11.245  -1.996
  227    HZ   PHE  26           HZ       PHE  26  22.383 -11.064  -0.318
  228    H    LYS  27           HN       LYS  27  26.110 -16.902  -2.701
  229    HA   LYS  27           HA       LYS  27  25.828 -19.467  -3.872
  230    HB2  LYS  27           HB2      LYS  27  28.285 -17.749  -3.481
  231    HB3  LYS  27           HB1      LYS  27  28.220 -19.193  -4.492
  232    HG2  LYS  27           HG2      LYS  27  26.781 -18.208  -6.045
  233    HG3  LYS  27           HG1      LYS  27  26.195 -17.011  -4.888
  234    HD2  LYS  27           HD2      LYS  27  27.966 -15.603  -5.242
  235    HD3  LYS  27           HD1      LYS  27  29.099 -16.928  -5.510
  236    HE2  LYS  27           HE2      LYS  27  28.407 -15.431  -7.539
  237    HE3  LYS  27           HE1      LYS  27  28.477 -17.180  -7.753
  238    HZ1  LYS  27           HZ1      LYS  27  25.948 -16.263  -6.755
  239    HZ2  LYS  27           HZ2      LYS  27  26.288 -17.296  -8.060
  240    HZ3  LYS  27           HZ3      LYS  27  26.325 -15.612  -8.275
  241    H    TYR  28           HN       TYR  28  25.528 -19.535  -0.972
  242    HA   TYR  28           HA       TYR  28  27.282 -21.785  -0.442
  243    HB2  TYR  28           HB2      TYR  28  28.785 -20.515   0.681
  244    HB3  TYR  28           HB1      TYR  28  27.680 -19.147   0.808
  245    HD1  TYR  28           HD2      TYR  28  28.390 -22.531   2.193
  246    HD2  TYR  28           HD1      TYR  28  26.457 -18.745   2.784
  247    HE1  TYR  28           HE2      TYR  28  27.861 -23.168   4.534
  248    HE2  TYR  28           HE1      TYR  28  25.924 -19.380   5.124
  249    HH   TYR  28           HH       TYR  28  26.646 -20.883   6.827
  250    H    LEU  29           HN       LEU  29  24.883 -19.511   0.854
  251    HA   LEU  29           HA       LEU  29  23.701 -21.653   2.466
  252    HB2  LEU  29           HB2      LEU  29  24.131 -19.229   3.278
  253    HB3  LEU  29           HB1      LEU  29  22.705 -18.816   2.327
  254    HG   LEU  29           HG       LEU  29  21.829 -21.027   3.686
  255   HD11  LEU  29          HD11      LEU  29  23.990 -20.992   4.987
  256   HD12  LEU  29          HD12      LEU  29  22.544 -20.854   5.988
  257   HD13  LEU  29          HD13      LEU  29  23.509 -19.421   5.630
  258   HD21  LEU  29          HD21      LEU  29  21.726 -18.126   4.569
  259   HD22  LEU  29          HD22      LEU  29  20.626 -19.392   5.115
  260   HD23  LEU  29          HD23      LEU  29  20.630 -18.896   3.421
  261    H    GLN  30           HN       GLN  30  23.077 -19.692  -0.362
  262    HA   GLN  30           HA       GLN  30  20.353 -20.749  -0.625
  263    HB2  GLN  30           HB2      GLN  30  20.549 -18.403  -1.078
  264    HB3  GLN  30           HB1      GLN  30  21.913 -18.667  -2.156
  265    HG2  GLN  30           HG2      GLN  30  20.600 -19.529  -3.855
  266    HG3  GLN  30           HG1      GLN  30  19.305 -20.003  -2.754
  267   HE21  GLN  30          HE21      GLN  30  20.543 -16.839  -2.126
  268   HE22  GLN  30          HE22      GLN  30  19.298 -15.969  -2.883
  269    H    LYS  31           HN       LYS  31  23.457 -21.630  -1.461
  270    HA   LYS  31           HA       LYS  31  22.539 -23.120  -3.851
  271    HB2  LYS  31           HB2      LYS  31  25.098 -21.757  -3.175
  272    HB3  LYS  31           HB1      LYS  31  25.199 -23.261  -4.092
  273    HG2  LYS  31           HG2      LYS  31  25.033 -21.228  -5.547
  274    HG3  LYS  31           HG1      LYS  31  23.722 -22.378  -5.806
  275    HD2  LYS  31           HD2      LYS  31  22.143 -21.022  -4.786
  276    HD3  LYS  31           HD1      LYS  31  23.338 -20.209  -3.777
  277    HE2  LYS  31           HE2      LYS  31  23.554 -19.857  -6.736
  278    HE3  LYS  31           HE1      LYS  31  22.253 -19.008  -5.905
  279    HZ1  LYS  31           HZ1      LYS  31  24.020 -18.232  -4.308
  280    HZ2  LYS  31           HZ2      LYS  31  24.085 -17.568  -5.871
  281    HZ3  LYS  31           HZ3      LYS  31  25.165 -18.801  -5.423
  282    H    LYS  32           HN       LYS  32  22.616 -23.685  -0.788
  283    HA   LYS  32           HA       LYS  32  24.312 -26.070  -0.751
  284    HB2  LYS  32           HB2      LYS  32  23.645 -26.211   1.628
  285    HB3  LYS  32           HB1      LYS  32  24.332 -24.636   1.230
  286    HG2  LYS  32           HG2      LYS  32  22.459 -23.724   2.095
  287    HG3  LYS  32           HG1      LYS  32  21.608 -24.351   0.684
  288    HD2  LYS  32           HD2      LYS  32  21.182 -26.470   1.882
  289    HD3  LYS  32           HD1      LYS  32  22.018 -25.832   3.297
  290    HE2  LYS  32           HE2      LYS  32  20.069 -24.934   3.975
  291    HE3  LYS  32           HE1      LYS  32  20.129 -23.865   2.573
  292    HZ1  LYS  32           HZ1      LYS  32  18.475 -24.975   1.637
  293    HZ2  LYS  32           HZ2      LYS  32  18.302 -25.877   3.066
  294    HZ3  LYS  32           HZ3      LYS  32  19.286 -26.455   1.808
  Start of MODEL   18
    1    H1   LYS   1           HT1      LYS   1  23.917  19.090  -0.167
    2    H2   LYS   1           HT2      LYS   1  25.438  19.026   0.584
    3    H3   LYS   1           HT3      LYS   1  24.207  20.001   1.234
    4    HA   LYS   1           HA       LYS   1  24.733  17.695   2.283
    5    HB2  LYS   1           HB2      LYS   1  22.908  19.257   2.940
    6    HB3  LYS   1           HB1      LYS   1  21.900  18.584   1.659
    7    HG2  LYS   1           HG2      LYS   1  21.999  16.372   2.693
    8    HG3  LYS   1           HG1      LYS   1  23.094  16.977   3.936
    9    HD2  LYS   1           HD2      LYS   1  21.357  17.692   5.170
   10    HD3  LYS   1           HD1      LYS   1  20.771  18.668   3.821
   11    HE2  LYS   1           HE2      LYS   1  20.216  15.716   4.240
   12    HE3  LYS   1           HE1      LYS   1  19.066  17.027   4.502
   13    HZ1  LYS   1           HZ1      LYS   1  19.886  17.532   2.011
   14    HZ2  LYS   1           HZ2      LYS   1  18.512  16.606   2.386
   15    HZ3  LYS   1           HZ3      LYS   1  19.985  15.839   2.028
   16    H    LYS   2           HN       LYS   2  25.513  16.078   0.912
   17    HA   LYS   2           HA       LYS   2  23.838  14.989  -1.190
   18    HB2  LYS   2           HB2      LYS   2  26.348  15.100  -1.324
   19    HB3  LYS   2           HB1      LYS   2  26.411  13.863  -0.067
   20    HG2  LYS   2           HG2      LYS   2  24.571  12.896  -1.960
   21    HG3  LYS   2           HG1      LYS   2  25.905  13.555  -2.906
   22    HD2  LYS   2           HD2      LYS   2  27.483  12.265  -1.406
   23    HD3  LYS   2           HD1      LYS   2  26.069  11.472  -0.714
   24    HE2  LYS   2           HE2      LYS   2  27.045  10.111  -2.525
   25    HE3  LYS   2           HE1      LYS   2  25.423  10.658  -2.949
   26    HZ1  LYS   2           HZ1      LYS   2  27.465  10.932  -4.578
   27    HZ2  LYS   2           HZ2      LYS   2  27.662  12.374  -3.703
   28    HZ3  LYS   2           HZ3      LYS   2  26.205  12.066  -4.520
   29    H    HIS   3           HN       HIS   3  22.198  13.670  -0.742
   30    HA   HIS   3           HA       HIS   3  20.836  12.230   0.460
   31    HB2  HIS   3           HB2      HIS   3  22.434  10.785  -0.852
   32    HB3  HIS   3           HB1      HIS   3  23.403  10.641   0.614
   33    HD2  HIS   3           HD2      HIS   3  22.633   7.846   0.730
   34    HE1  HIS   3           HE1      HIS   3  18.642   8.658   1.837
   35    HE2  HIS   3           HE2      HIS   3  20.397   6.836   1.628
   36    H    THR   4           HN       THR   4  22.652  10.360   2.323
   37    HA   THR   4           HA       THR   4  22.472  12.131   4.690
   38    HB   THR   4           HB       THR   4  20.717  10.514   4.891
   39    HG1  THR   4           HG1      THR   4  21.602   9.220   6.653
   40   HG21  THR   4          HG21      THR   4  22.564   8.847   3.446
   41   HG22  THR   4          HG22      THR   4  20.854   8.574   3.772
   42   HG23  THR   4          HG23      THR   4  22.065   8.020   4.922
   43    H    ILE   5           HN       ILE   5  23.525   9.041   5.409
   44    HA   ILE   5           HA       ILE   5  26.362   9.875   5.301
   45    HB   ILE   5           HB       ILE   5  26.551   8.254   7.298
   46   HG12  ILE   5          HG12      ILE   5  23.786   8.943   8.033
   47   HG13  ILE   5          HG11      ILE   5  23.902   7.785   6.709
   48   HG21  ILE   5          HG21      ILE   5  25.750  10.080   8.861
   49   HG22  ILE   5          HG22      ILE   5  25.126  10.923   7.442
   50   HG23  ILE   5          HG23      ILE   5  26.858  10.622   7.600
   51   HD11  ILE   5          HD11      ILE   5  23.878   6.813   9.085
   52   HD12  ILE   5          HD12      ILE   5  25.507   7.468   9.243
   53   HD13  ILE   5          HD13      ILE   5  25.160   6.255   8.012
   54    H    TRP   6           HN       TRP   6  24.002   7.446   4.586
   55    HA   TRP   6           HA       TRP   6  25.381   5.107   4.358
   56    HB2  TRP   6           HB2      TRP   6  23.074   6.277   3.086
   57    HB3  TRP   6           HB1      TRP   6  23.989   5.323   1.920
   58    HD1  TRP   6           HD1      TRP   6  22.707   3.111   1.818
   59    HE1  TRP   6           HE1      TRP   6  21.982   1.337   3.535
   60    HE3  TRP   6           HE3      TRP   6  23.938   5.526   6.137
   61    HZ2  TRP   6           HZ2      TRP   6  21.931   0.991   6.369
   62    HZ3  TRP   6           HZ3      TRP   6  23.542   4.453   8.336
   63    HH2  TRP   6           HH2      TRP   6  22.540   2.187   8.457
   64    H    GLU   7           HN       GLU   7  25.186   7.476   1.686
   65    HA   GLU   7           HA       GLU   7  27.100   6.273   0.050
   66    HB2  GLU   7           HB2      GLU   7  25.767   8.872   0.226
   67    HB3  GLU   7           HB1      GLU   7  27.367   8.943  -0.513
   68    HG2  GLU   7           HG2      GLU   7  25.294   6.897  -1.323
   69    HG3  GLU   7           HG1      GLU   7  25.424   8.472  -2.105
   70    H    VAL   8           HN       VAL   8  27.610   7.497   3.083
   71    HA   VAL   8           HA       VAL   8  30.403   8.256   2.505
   72    HB   VAL   8           HB       VAL   8  29.007   8.741   5.127
   73   HG11  VAL   8          HG11      VAL   8  30.819  10.061   5.598
   74   HG12  VAL   8          HG12      VAL   8  31.019  10.565   3.919
   75   HG13  VAL   8          HG13      VAL   8  31.602   8.984   4.441
   76   HG21  VAL   8          HG21      VAL   8  29.051  10.546   2.686
   77   HG22  VAL   8          HG22      VAL   8  28.442  10.994   4.279
   78   HG23  VAL   8          HG23      VAL   8  27.621   9.752   3.339
   79    H    ILE   9           HN       ILE   9  28.349   6.144   4.445
   80    HA   ILE   9           HA       ILE   9  30.756   4.667   5.300
   81    HB   ILE   9           HB       ILE   9  29.844   5.357   7.297
   82   HG12  ILE   9          HG12      ILE   9  29.603   2.693   6.843
   83   HG13  ILE   9          HG11      ILE   9  29.219   3.453   8.374
   84   HG21  ILE   9          HG21      ILE   9  27.336   5.455   7.680
   85   HG22  ILE   9          HG22      ILE   9  27.161   5.181   5.945
   86   HG23  ILE   9          HG23      ILE   9  28.007   6.608   6.535
   87   HD11  ILE   9          HD11      ILE   9  27.121   3.121   6.223
   88   HD12  ILE   9          HD12      ILE   9  26.887   3.456   7.933
   89   HD13  ILE   9          HD13      ILE   9  27.447   1.868   7.415
   90    H    ALA  10           HN       ALA  10  27.389   4.363   4.234
   91    HA   ALA  10           HA       ALA  10  27.517   1.524   3.878
   92    HB1  ALA  10           HB1      ALA  10  25.388   2.778   4.172
   93    HB2  ALA  10           HB2      ALA  10  25.391   1.772   2.723
   94    HB3  ALA  10           HB3      ALA  10  25.634   3.513   2.589
   95    H    GLY  11           HN       GLY  11  27.144   4.079   1.403
   96    HA2  GLY  11           HA2      GLY  11  27.813   2.551  -0.812
   97    HA3  GLY  11           HA1      GLY  11  28.099   4.288  -0.691
   98    H    LEU  12           HN       LEU  12  29.719   3.442   1.830
   99    HA   LEU  12           HA       LEU  12  32.231   3.049   0.368
  100    HB2  LEU  12           HB2      LEU  12  31.891   5.041   1.933
  101    HB3  LEU  12           HB1      LEU  12  31.946   3.874   3.255
  102    HG   LEU  12           HG       LEU  12  34.143   3.086   1.921
  103   HD11  LEU  12          HD11      LEU  12  34.241   6.074   1.546
  104   HD12  LEU  12          HD12      LEU  12  33.610   5.032   0.271
  105   HD13  LEU  12          HD13      LEU  12  35.272   4.837   0.828
  106   HD21  LEU  12          HD21      LEU  12  35.430   4.556   3.485
  107   HD22  LEU  12          HD22      LEU  12  34.097   3.716   4.279
  108   HD23  LEU  12          HD23      LEU  12  33.936   5.419   3.852
  109    H    VAL  13           HN       VAL  13  30.107   1.630   2.739
  110    HA   VAL  13           HA       VAL  13  32.039  -0.585   3.131
  111    HB   VAL  13           HB       VAL  13  29.770   0.293   4.936
  112   HG11  VAL  13          HG11      VAL  13  30.936  -1.379   6.489
  113   HG12  VAL  13          HG12      VAL  13  31.769  -1.973   5.052
  114   HG13  VAL  13          HG13      VAL  13  30.011  -2.070   5.154
  115   HG21  VAL  13          HG21      VAL  13  31.384   1.265   6.318
  116   HG22  VAL  13          HG22      VAL  13  32.038   1.634   4.722
  117   HG23  VAL  13          HG23      VAL  13  32.690   0.284   5.651
  118    H    ALA  14           HN       ALA  14  28.518   0.039   3.034
  119    HA   ALA  14           HA       ALA  14  27.556  -2.499   2.743
  120    HB1  ALA  14           HB1      ALA  14  26.680  -0.042   1.204
  121    HB2  ALA  14           HB2      ALA  14  26.079  -0.559   2.779
  122    HB3  ALA  14           HB3      ALA  14  25.742  -1.528   1.345
  123    H    LEU  15           HN       LEU  15  28.854  -0.455   0.127
  124    HA   LEU  15           HA       LEU  15  28.526  -2.386  -1.917
  125    HB2  LEU  15           HB2      LEU  15  28.914   0.035  -2.347
  126    HB3  LEU  15           HB1      LEU  15  30.562  -0.144  -1.747
  127    HG   LEU  15           HG       LEU  15  31.015  -1.820  -3.524
  128   HD11  LEU  15          HD11      LEU  15  29.151  -1.628  -5.431
  129   HD12  LEU  15          HD12      LEU  15  28.106  -1.359  -4.037
  130   HD13  LEU  15          HD13      LEU  15  29.045  -2.847  -4.159
  131   HD21  LEU  15          HD21      LEU  15  30.157   0.128  -5.379
  132   HD22  LEU  15          HD22      LEU  15  31.743   0.010  -4.615
  133   HD23  LEU  15          HD23      LEU  15  30.480   0.998  -3.879
  134    H    LEU  16           HN       LEU  16  30.982  -1.809   0.492
  135    HA   LEU  16           HA       LEU  16  32.753  -3.832  -0.668
  136    HB2  LEU  16           HB2      LEU  16  33.218  -2.263   1.864
  137    HB3  LEU  16           HB1      LEU  16  34.413  -3.051   0.833
  138    HG   LEU  16           HG       LEU  16  32.727  -0.634   0.129
  139   HD11  LEU  16          HD11      LEU  16  35.735  -0.858   0.139
  140   HD12  LEU  16          HD12      LEU  16  34.850  -0.465   1.613
  141   HD13  LEU  16          HD13      LEU  16  34.739   0.596   0.209
  142   HD21  LEU  16          HD21      LEU  16  34.268  -0.743  -1.963
  143   HD22  LEU  16          HD22      LEU  16  32.884  -1.834  -1.894
  144   HD23  LEU  16          HD23      LEU  16  34.500  -2.434  -1.518
  145    H    THR  17           HN       THR  17  30.065  -3.927   1.120
  146    HA   THR  17           HA       THR  17  30.999  -6.230   2.721
  147    HB   THR  17           HB       THR  17  29.197  -3.965   3.466
  148    HG1  THR  17           HG1      THR  17  31.538  -4.567   4.096
  149   HG21  THR  17          HG21      THR  17  28.501  -5.510   5.424
  150   HG22  THR  17          HG22      THR  17  28.965  -6.834   4.358
  151   HG23  THR  17          HG23      THR  17  27.680  -5.725   3.879
  152    H    PHE  18           HN       PHE  18  27.977  -4.754   1.524
  153    HA   PHE  18           HA       PHE  18  26.284  -6.865   1.497
  154    HB2  PHE  18           HB2      PHE  18  26.021  -4.450   0.520
  155    HB3  PHE  18           HB1      PHE  18  26.473  -5.217  -1.003
  156    HD1  PHE  18           HD2      PHE  18  24.088  -5.480   1.861
  157    HD2  PHE  18           HD1      PHE  18  24.891  -6.457  -2.244
  158    HE1  PHE  18           HE2      PHE  18  21.777  -6.348   1.615
  159    HE2  PHE  18           HE1      PHE  18  22.581  -7.326  -2.489
  160    HZ   PHE  18           HZ       PHE  18  21.025  -7.271  -0.560
  161    H    LEU  19           HN       LEU  19  28.777  -6.218  -0.952
  162    HA   LEU  19           HA       LEU  19  28.174  -8.565  -2.495
  163    HB2  LEU  19           HB2      LEU  19  30.415  -6.557  -2.473
  164    HB3  LEU  19           HB1      LEU  19  30.526  -8.010  -3.462
  165    HG   LEU  19           HG       LEU  19  29.565  -6.000  -4.661
  166   HD11  LEU  19          HD11      LEU  19  27.250  -7.768  -4.728
  167   HD12  LEU  19          HD12      LEU  19  28.756  -8.684  -4.758
  168   HD13  LEU  19          HD13      LEU  19  28.449  -7.453  -5.981
  169   HD21  LEU  19          HD21      LEU  19  28.304  -5.266  -2.554
  170   HD22  LEU  19          HD22      LEU  19  27.120  -6.507  -2.959
  171   HD23  LEU  19          HD23      LEU  19  27.411  -5.170  -4.072
  172    H    ALA  20           HN       ALA  20  30.985  -7.684  -0.467
  173    HA   ALA  20           HA       ALA  20  32.417  -9.987  -0.470
  174    HB1  ALA  20           HB1      ALA  20  33.515  -8.861   1.120
  175    HB2  ALA  20           HB2      ALA  20  32.224  -9.219   2.266
  176    HB3  ALA  20           HB3      ALA  20  32.151  -7.756   1.284
  177    H    PHE  21           HN       PHE  21  29.755  -9.357   1.833
  178    HA   PHE  21           HA       PHE  21  29.705 -12.081   2.743
  179    HB2  PHE  21           HB2      PHE  21  27.844  -9.733   3.142
  180    HB3  PHE  21           HB1      PHE  21  27.551 -11.319   3.853
  181    HD1  PHE  21           HD1      PHE  21  30.252  -8.738   3.526
  182    HD2  PHE  21           HD2      PHE  21  28.490 -11.827   5.937
  183    HE1  PHE  21           HE1      PHE  21  31.830  -8.206   5.364
  184    HE2  PHE  21           HE2      PHE  21  30.068 -11.294   7.773
  185    HZ   PHE  21           HZ       PHE  21  31.739  -9.484   7.487
  186    H    GLY  22           HN       GLY  22  27.557 -10.091   0.720
  187    HA2  GLY  22           HA2      GLY  22  25.545 -11.824   0.115
  188    HA3  GLY  22           HA1      GLY  22  26.218 -10.699  -1.058
  189    H    PHE  23           HN       PHE  23  28.579 -11.549  -1.756
  190    HA   PHE  23           HA       PHE  23  28.318 -13.522  -3.581
  191    HB2  PHE  23           HB2      PHE  23  30.527 -12.213  -2.318
  192    HB3  PHE  23           HB1      PHE  23  30.902 -13.928  -2.463
  193    HD1  PHE  23           HD2      PHE  23  29.913 -14.940  -4.832
  194    HD2  PHE  23           HD1      PHE  23  31.244 -10.918  -4.121
  195    HE1  PHE  23           HE2      PHE  23  30.342 -14.652  -7.258
  196    HE2  PHE  23           HE1      PHE  23  31.674 -10.631  -6.546
  197    HZ   PHE  23           HZ       PHE  23  31.223 -12.498  -8.115
  198    H    TRP  24           HN       TRP  24  29.914 -14.207  -0.464
  199    HA   TRP  24           HA       TRP  24  29.786 -16.989  -0.650
  200    HB2  TRP  24           HB2      TRP  24  31.210 -16.107   1.010
  201    HB3  TRP  24           HB1      TRP  24  29.923 -15.118   1.705
  202    HD1  TRP  24           HD1      TRP  24  30.539 -18.891   1.075
  203    HE1  TRP  24           HE1      TRP  24  29.646 -20.197   3.112
  204    HE3  TRP  24           HE3      TRP  24  28.719 -15.031   3.856
  205    HZ2  TRP  24           HZ2      TRP  24  28.334 -19.668   5.592
  206    HZ3  TRP  24           HZ3      TRP  24  27.650 -15.454   6.056
  207    HH2  TRP  24           HH2      TRP  24  27.456 -17.767   6.926
  208    H    LEU  25           HN       LEU  25  27.760 -15.008   1.493
  209    HA   LEU  25           HA       LEU  25  25.910 -16.499   2.529
  210    HB2  LEU  25           HB2      LEU  25  25.615 -13.958   1.037
  211    HB3  LEU  25           HB1      LEU  25  24.127 -14.803   1.461
  212    HG   LEU  25           HG       LEU  25  26.288 -14.404   3.504
  213   HD11  LEU  25          HD11      LEU  25  25.178 -12.316   4.201
  214   HD12  LEU  25          HD12      LEU  25  24.071 -12.445   2.835
  215   HD13  LEU  25          HD13      LEU  25  25.791 -12.177   2.554
  216   HD21  LEU  25          HD21      LEU  25  24.697 -15.097   4.992
  217   HD22  LEU  25          HD22      LEU  25  23.941 -15.797   3.563
  218   HD23  LEU  25          HD23      LEU  25  23.406 -14.228   4.163
  219    H    PHE  26           HN       PHE  26  25.273 -15.498  -0.841
  220    HA   PHE  26           HA       PHE  26  23.253 -17.466  -1.186
  221    HB2  PHE  26           HB2      PHE  26  24.758 -16.208  -3.460
  222    HB3  PHE  26           HB1      PHE  26  23.068 -16.702  -3.398
  223    HD1  PHE  26           HD1      PHE  26  21.701 -15.563  -1.387
  224    HD2  PHE  26           HD2      PHE  26  25.210 -13.934  -3.256
  225    HE1  PHE  26           HE1      PHE  26  21.055 -13.299  -0.621
  226    HE2  PHE  26           HE2      PHE  26  24.562 -11.665  -2.485
  227    HZ   PHE  26           HZ       PHE  26  22.485 -11.347  -1.168
  228    H    LYS  27           HN       LYS  27  26.501 -17.228  -2.644
  229    HA   LYS  27           HA       LYS  27  26.446 -19.764  -3.857
  230    HB2  LYS  27           HB2      LYS  27  28.650 -17.870  -3.089
  231    HB3  LYS  27           HB1      LYS  27  29.021 -19.452  -3.770
  232    HG2  LYS  27           HG2      LYS  27  28.846 -17.596  -5.477
  233    HG3  LYS  27           HG1      LYS  27  27.779 -18.964  -5.779
  234    HD2  LYS  27           HD2      LYS  27  25.878 -17.768  -4.936
  235    HD3  LYS  27           HD1      LYS  27  26.899 -16.485  -4.295
  236    HE2  LYS  27           HE2      LYS  27  25.865 -15.754  -6.391
  237    HE3  LYS  27           HE1      LYS  27  27.610 -15.918  -6.603
  238    HZ1  LYS  27           HZ1      LYS  27  27.373 -17.689  -7.954
  239    HZ2  LYS  27           HZ2      LYS  27  25.847 -17.005  -8.248
  240    HZ3  LYS  27           HZ3      LYS  27  26.008 -18.285  -7.143
  241    H    TYR  28           HN       TYR  28  25.816 -19.650  -0.854
  242    HA   TYR  28           HA       TYR  28  27.333 -22.056  -0.183
  243    HB2  TYR  28           HB2      TYR  28  28.684 -20.949   1.235
  244    HB3  TYR  28           HB1      TYR  28  27.745 -19.465   1.091
  245    HD1  TYR  28           HD2      TYR  28  27.536 -22.883   2.603
  246    HD2  TYR  28           HD1      TYR  28  26.498 -18.728   2.924
  247    HE1  TYR  28           HE2      TYR  28  26.525 -23.306   4.831
  248    HE2  TYR  28           HE1      TYR  28  25.485 -19.152   5.149
  249    HH   TYR  28           HH       TYR  28  25.360 -20.662   6.853
  250    H    LEU  29           HN       LEU  29  24.912 -19.706   0.976
  251    HA   LEU  29           HA       LEU  29  23.453 -21.790   2.375
  252    HB2  LEU  29           HB2      LEU  29  23.730 -19.155   2.873
  253    HB3  LEU  29           HB1      LEU  29  22.222 -19.124   1.959
  254    HG   LEU  29           HG       LEU  29  22.778 -20.836   4.398
  255   HD11  LEU  29          HD11      LEU  29  21.089 -18.361   3.951
  256   HD12  LEU  29          HD12      LEU  29  22.460 -18.534   5.048
  257   HD13  LEU  29          HD13      LEU  29  20.953 -19.390   5.378
  258   HD21  LEU  29          HD21      LEU  29  20.174 -21.088   4.117
  259   HD22  LEU  29          HD22      LEU  29  21.252 -22.097   3.154
  260   HD23  LEU  29          HD23      LEU  29  20.506 -20.669   2.437
  261    H    GLN  30           HN       GLN  30  23.084 -19.811  -0.520
  262    HA   GLN  30           HA       GLN  30  20.514 -21.009  -1.167
  263    HB2  GLN  30           HB2      GLN  30  20.754 -18.707  -1.758
  264    HB3  GLN  30           HB1      GLN  30  22.284 -19.008  -2.574
  265    HG2  GLN  30           HG2      GLN  30  21.276 -20.048  -4.394
  266    HG3  GLN  30           HG1      GLN  30  19.805 -20.420  -3.493
  267   HE21  GLN  30          HE21      GLN  30  20.875 -17.218  -2.871
  268   HE22  GLN  30          HE22      GLN  30  19.828 -16.421  -3.939
  269    H    LYS  31           HN       LYS  31  23.680 -21.955  -1.410
  270    HA   LYS  31           HA       LYS  31  23.127 -23.664  -3.764
  271    HB2  LYS  31           HB2      LYS  31  25.523 -22.092  -2.986
  272    HB3  LYS  31           HB1      LYS  31  25.818 -23.701  -3.642
  273    HG2  LYS  31           HG2      LYS  31  25.770 -21.990  -5.430
  274    HG3  LYS  31           HG1      LYS  31  24.466 -23.163  -5.621
  275    HD2  LYS  31           HD2      LYS  31  22.833 -21.641  -5.113
  276    HD3  LYS  31           HD1      LYS  31  23.853 -20.766  -3.971
  277    HE2  LYS  31           HE2      LYS  31  25.115 -19.783  -5.852
  278    HE3  LYS  31           HE1      LYS  31  24.102 -20.665  -6.995
  279    HZ1  LYS  31           HZ1      LYS  31  22.188 -19.478  -6.241
  280    HZ2  LYS  31           HZ2      LYS  31  23.394 -18.344  -6.626
  281    HZ3  LYS  31           HZ3      LYS  31  23.068 -18.724  -5.002
  282    H    LYS  32           HN       LYS  32  22.174 -25.179  -2.228
  283    HA   LYS  32           HA       LYS  32  24.209 -26.970  -1.160
  284    HB2  LYS  32           HB2      LYS  32  22.687 -27.124   0.984
  285    HB3  LYS  32           HB1      LYS  32  23.938 -25.886   0.865
  286    HG2  LYS  32           HG2      LYS  32  21.763 -24.954   1.634
  287    HG3  LYS  32           HG1      LYS  32  22.286 -24.246   0.107
  288    HD2  LYS  32           HD2      LYS  32  20.733 -25.528  -1.148
  289    HD3  LYS  32           HD1      LYS  32  20.453 -26.644   0.190
  290    HE2  LYS  32           HE2      LYS  32  18.917 -25.283   1.160
  291    HE3  LYS  32           HE1      LYS  32  19.864 -23.832   0.837
  292    HZ1  LYS  32           HZ1      LYS  32  18.073 -25.275  -1.031
  293    HZ2  LYS  32           HZ2      LYS  32  19.165 -24.075  -1.536
  294    HZ3  LYS  32           HZ3      LYS  32  17.911 -23.687  -0.457
  Start of MODEL   19
    1    H1   LYS   1           HT1      LYS   1  19.524  18.922  -2.254
    2    H2   LYS   1           HT2      LYS   1  20.697  18.073  -3.143
    3    H3   LYS   1           HT3      LYS   1  21.135  19.450  -2.249
    4    HA   LYS   1           HA       LYS   1  21.666  18.132  -0.570
    5    HB2  LYS   1           HB2      LYS   1  19.383  18.810   0.138
    6    HB3  LYS   1           HB1      LYS   1  18.730  17.370  -0.644
    7    HG2  LYS   1           HG2      LYS   1  19.911  15.915   0.854
    8    HG3  LYS   1           HG1      LYS   1  20.864  17.251   1.499
    9    HD2  LYS   1           HD2      LYS   1  19.250  17.804   2.973
   10    HD3  LYS   1           HD1      LYS   1  18.005  17.766   1.723
   11    HE2  LYS   1           HE2      LYS   1  19.137  15.335   3.142
   12    HE3  LYS   1           HE1      LYS   1  17.569  16.072   3.472
   13    HZ1  LYS   1           HZ1      LYS   1  16.742  14.822   1.860
   14    HZ2  LYS   1           HZ2      LYS   1  18.282  14.244   1.433
   15    HZ3  LYS   1           HZ3      LYS   1  17.685  15.675   0.739
   16    H    LYS   2           HN       LYS   2  22.143  15.961   0.092
   17    HA   LYS   2           HA       LYS   2  22.017  14.060  -2.146
   18    HB2  LYS   2           HB2      LYS   2  24.193  14.733  -0.899
   19    HB3  LYS   2           HB1      LYS   2  23.609  13.665   0.376
   20    HG2  LYS   2           HG2      LYS   2  23.219  12.080  -1.800
   21    HG3  LYS   2           HG1      LYS   2  24.634  12.997  -2.320
   22    HD2  LYS   2           HD2      LYS   2  24.373  11.431   0.265
   23    HD3  LYS   2           HD1      LYS   2  25.345  10.973  -1.134
   24    HE2  LYS   2           HE2      LYS   2  27.005  12.039   0.027
   25    HE3  LYS   2           HE1      LYS   2  26.295  13.475  -0.710
   26    HZ1  LYS   2           HZ1      LYS   2  25.246  12.452   1.842
   27    HZ2  LYS   2           HZ2      LYS   2  25.194  14.030   1.217
   28    HZ3  LYS   2           HZ3      LYS   2  26.650  13.402   1.829
   29    H    HIS   3           HN       HIS   3  22.667  11.938  -0.065
   30    HA   HIS   3           HA       HIS   3  19.870  11.271   0.548
   31    HB2  HIS   3           HB2      HIS   3  21.097   9.598  -0.728
   32    HB3  HIS   3           HB1      HIS   3  22.366   9.558   0.494
   33    HD2  HIS   3           HD2      HIS   3  21.607   6.790   1.005
   34    HE1  HIS   3           HE1      HIS   3  17.989   7.813   2.920
   35    HE2  HIS   3           HE2      HIS   3  19.617   5.923   2.457
   36    H    THR   4           HN       THR   4  22.614   9.926   2.244
   37    HA   THR   4           HA       THR   4  22.146  11.537   4.625
   38    HB   THR   4           HB       THR   4  20.447   9.794   4.871
   39    HG1  THR   4           HG1      THR   4  21.377   8.815   6.803
   40   HG21  THR   4          HG21      THR   4  20.796   7.725   4.082
   41   HG22  THR   4          HG22      THR   4  22.116   7.491   5.220
   42   HG23  THR   4          HG23      THR   4  22.435   8.181   3.627
   43    H    ILE   5           HN       ILE   5  23.332   8.727   5.721
   44    HA   ILE   5           HA       ILE   5  26.120   9.601   5.338
   45    HB   ILE   5           HB       ILE   5  26.478   8.007   7.333
   46   HG12  ILE   5          HG12      ILE   5  23.709   8.538   8.178
   47   HG13  ILE   5          HG11      ILE   5  23.838   7.383   6.853
   48   HG21  ILE   5          HG21      ILE   5  25.221   9.883   8.816
   49   HG22  ILE   5          HG22      ILE   5  25.228  10.703   7.254
   50   HG23  ILE   5          HG23      ILE   5  26.749  10.187   7.987
   51   HD11  ILE   5          HD11      ILE   5  25.559   7.175   9.322
   52   HD12  ILE   5          HD12      ILE   5  25.243   5.937   8.106
   53   HD13  ILE   5          HD13      ILE   5  23.969   6.419   9.226
   54    H    TRP   6           HN       TRP   6  23.871   7.036   4.739
   55    HA   TRP   6           HA       TRP   6  25.371   4.778   4.452
   56    HB2  TRP   6           HB2      TRP   6  22.943   5.809   3.283
   57    HB3  TRP   6           HB1      TRP   6  23.859   4.901   2.079
   58    HD1  TRP   6           HD1      TRP   6  22.701   2.620   2.043
   59    HE1  TRP   6           HE1      TRP   6  22.161   0.816   3.797
   60    HE3  TRP   6           HE3      TRP   6  23.988   5.124   6.294
   61    HZ2  TRP   6           HZ2      TRP   6  22.263   0.480   6.631
   62    HZ3  TRP   6           HZ3      TRP   6  23.757   4.043   8.511
   63    HH2  TRP   6           HH2      TRP   6  22.897   1.722   8.686
   64    H    GLU   7           HN       GLU   7  24.875   7.053   1.741
   65    HA   GLU   7           HA       GLU   7  26.775   5.998   0.021
   66    HB2  GLU   7           HB2      GLU   7  25.334   8.524   0.306
   67    HB3  GLU   7           HB1      GLU   7  26.905   8.707  -0.474
   68    HG2  GLU   7           HG2      GLU   7  24.903   6.593  -1.294
   69    HG3  GLU   7           HG1      GLU   7  24.965   8.189  -2.038
   70    H    VAL   8           HN       VAL   8  27.349   7.372   3.034
   71    HA   VAL   8           HA       VAL   8  30.085   8.196   2.316
   72    HB   VAL   8           HB       VAL   8  28.818   8.616   5.013
   73   HG11  VAL   8          HG11      VAL   8  30.771  10.372   3.542
   74   HG12  VAL   8          HG12      VAL   8  31.326   8.948   4.421
   75   HG13  VAL   8          HG13      VAL   8  30.492  10.243   5.278
   76   HG21  VAL   8          HG21      VAL   8  28.088  10.835   4.198
   77   HG22  VAL   8          HG22      VAL   8  27.275   9.546   3.311
   78   HG23  VAL   8          HG23      VAL   8  28.622  10.412   2.570
   79    H    ILE   9           HN       ILE   9  28.259   6.014   4.417
   80    HA   ILE   9           HA       ILE   9  30.785   4.671   5.131
   81    HB   ILE   9           HB       ILE   9  29.943   5.297   7.171
   82   HG12  ILE   9          HG12      ILE   9  29.787   2.624   6.728
   83   HG13  ILE   9          HG11      ILE   9  29.449   3.371   8.274
   84   HG21  ILE   9          HG21      ILE   9  28.023   6.475   6.503
   85   HG22  ILE   9          HG22      ILE   9  27.457   5.296   7.678
   86   HG23  ILE   9          HG23      ILE   9  27.206   5.014   5.953
   87   HD11  ILE   9          HD11      ILE   9  27.694   1.717   7.403
   88   HD12  ILE   9          HD12      ILE   9  27.260   2.955   6.233
   89   HD13  ILE   9          HD13      ILE   9  27.102   3.281   7.954
   90    H    ALA  10           HN       ALA  10  27.391   4.147   4.245
   91    HA   ALA  10           HA       ALA  10  27.674   1.324   3.887
   92    HB1  ALA  10           HB1      ALA  10  25.493   2.447   4.277
   93    HB2  ALA  10           HB2      ALA  10  25.486   1.443   2.829
   94    HB3  ALA  10           HB3      ALA  10  25.620   3.196   2.685
   95    H    GLY  11           HN       GLY  11  27.024   3.821   1.410
   96    HA2  GLY  11           HA2      GLY  11  27.681   2.314  -0.819
   97    HA3  GLY  11           HA1      GLY  11  27.861   4.066  -0.729
   98    H    LEU  12           HN       LEU  12  29.654   3.372   1.715
   99    HA   LEU  12           HA       LEU  12  32.111   3.109   0.132
  100    HB2  LEU  12           HB2      LEU  12  31.712   5.100   1.693
  101    HB3  LEU  12           HB1      LEU  12  31.933   3.958   3.019
  102    HG   LEU  12           HG       LEU  12  34.095   3.305   1.581
  103   HD11  LEU  12          HD11      LEU  12  35.007   5.064   0.330
  104   HD12  LEU  12          HD12      LEU  12  33.987   6.274   1.107
  105   HD13  LEU  12          HD13      LEU  12  33.296   5.168  -0.081
  106   HD21  LEU  12          HD21      LEU  12  33.829   5.687   3.443
  107   HD22  LEU  12          HD22      LEU  12  35.361   4.933   3.006
  108   HD23  LEU  12          HD23      LEU  12  34.155   4.018   3.912
  109    H    VAL  13           HN       VAL  13  30.196   1.589   2.613
  110    HA   VAL  13           HA       VAL  13  32.277  -0.495   2.930
  111    HB   VAL  13           HB       VAL  13  30.084   0.271   4.872
  112   HG11  VAL  13          HG11      VAL  13  30.527  -2.066   5.098
  113   HG12  VAL  13          HG12      VAL  13  31.458  -1.275   6.372
  114   HG13  VAL  13          HG13      VAL  13  32.263  -1.826   4.902
  115   HG21  VAL  13          HG21      VAL  13  32.240   1.766   4.477
  116   HG22  VAL  13          HG22      VAL  13  33.030   0.494   5.410
  117   HG23  VAL  13          HG23      VAL  13  31.697   1.406   6.116
  118    H    ALA  14           HN       ALA  14  28.729  -0.072   3.081
  119    HA   ALA  14           HA       ALA  14  27.904  -2.669   2.893
  120    HB1  ALA  14           HB1      ALA  14  25.906  -1.861   1.738
  121    HB2  ALA  14           HB2      ALA  14  26.732  -0.361   1.319
  122    HB3  ALA  14           HB3      ALA  14  26.371  -0.727   3.006
  123    H    LEU  15           HN       LEU  15  29.043  -0.616   0.227
  124    HA   LEU  15           HA       LEU  15  28.606  -2.575  -1.797
  125    HB2  LEU  15           HB2      LEU  15  28.856  -0.139  -2.264
  126    HB3  LEU  15           HB1      LEU  15  30.552  -0.250  -1.797
  127    HG   LEU  15           HG       LEU  15  30.920  -1.932  -3.590
  128   HD11  LEU  15          HD11      LEU  15  27.967  -1.564  -3.881
  129   HD12  LEU  15          HD12      LEU  15  28.942  -3.021  -4.075
  130   HD13  LEU  15          HD13      LEU  15  28.910  -1.805  -5.353
  131   HD21  LEU  15          HD21      LEU  15  29.618   0.635  -4.550
  132   HD22  LEU  15          HD22      LEU  15  30.743  -0.359  -5.475
  133   HD23  LEU  15          HD23      LEU  15  31.293   0.478  -4.024
  134    H    LEU  16           HN       LEU  16  31.212  -1.828   0.408
  135    HA   LEU  16           HA       LEU  16  33.001  -3.771  -0.842
  136    HB2  LEU  16           HB2      LEU  16  33.502  -2.215   1.692
  137    HB3  LEU  16           HB1      LEU  16  34.688  -2.933   0.600
  138    HG   LEU  16           HG       LEU  16  32.857  -0.597  -0.009
  139   HD11  LEU  16          HD11      LEU  16  34.834   0.727  -0.027
  140   HD12  LEU  16          HD12      LEU  16  35.878  -0.694  -0.039
  141   HD13  LEU  16          HD13      LEU  16  34.973  -0.275   1.417
  142   HD21  LEU  16          HD21      LEU  16  33.015  -1.750  -2.055
  143   HD22  LEU  16          HD22      LEU  16  34.663  -2.287  -1.731
  144   HD23  LEU  16          HD23      LEU  16  34.351  -0.601  -2.144
  145    H    THR  17           HN       THR  17  30.436  -3.909   1.181
  146    HA   THR  17           HA       THR  17  31.522  -6.216   2.679
  147    HB   THR  17           HB       THR  17  29.705  -3.999   3.500
  148    HG1  THR  17           HG1      THR  17  32.070  -4.782   4.097
  149   HG21  THR  17          HG21      THR  17  28.191  -5.777   3.903
  150   HG22  THR  17          HG22      THR  17  29.016  -5.548   5.442
  151   HG23  THR  17          HG23      THR  17  29.484  -6.876   4.384
  152    H    PHE  18           HN       PHE  18  28.366  -4.887   1.668
  153    HA   PHE  18           HA       PHE  18  26.864  -7.171   1.662
  154    HB2  PHE  18           HB2      PHE  18  26.256  -4.725   0.985
  155    HB3  PHE  18           HB1      PHE  18  26.636  -5.268  -0.652
  156    HD1  PHE  18           HD2      PHE  18  24.424  -5.776   2.269
  157    HD2  PHE  18           HD1      PHE  18  25.239  -6.872  -1.803
  158    HE1  PHE  18           HE2      PHE  18  22.208  -6.876   2.120
  159    HE2  PHE  18           HE1      PHE  18  23.024  -7.973  -1.952
  160    HZ   PHE  18           HZ       PHE  18  21.505  -7.976   0.011
  161    H    LEU  19           HN       LEU  19  29.100  -6.087  -0.866
  162    HA   LEU  19           HA       LEU  19  28.502  -8.273  -2.636
  163    HB2  LEU  19           HB2      LEU  19  30.610  -6.127  -2.558
  164    HB3  LEU  19           HB1      LEU  19  30.707  -7.440  -3.727
  165    HG   LEU  19           HG       LEU  19  29.523  -5.375  -4.576
  166   HD11  LEU  19          HD11      LEU  19  28.344  -6.723  -5.954
  167   HD12  LEU  19          HD12      LEU  19  27.314  -7.280  -4.636
  168   HD13  LEU  19          HD13      LEU  19  28.861  -8.068  -4.938
  169   HD21  LEU  19          HD21      LEU  19  27.404  -4.753  -3.693
  170   HD22  LEU  19          HD22      LEU  19  28.440  -4.978  -2.284
  171   HD23  LEU  19          HD23      LEU  19  27.284  -6.230  -2.738
  172    H    ALA  20           HN       ALA  20  30.456  -7.898   0.140
  173    HA   ALA  20           HA       ALA  20  32.244 -10.100  -0.585
  174    HB1  ALA  20           HB1      ALA  20  33.655  -9.129   0.864
  175    HB2  ALA  20           HB2      ALA  20  32.471  -9.256   2.164
  176    HB3  ALA  20           HB3      ALA  20  32.467  -7.848   1.102
  177    H    PHE  21           HN       PHE  21  29.834  -9.304   1.905
  178    HA   PHE  21           HA       PHE  21  29.801 -11.972   2.980
  179    HB2  PHE  21           HB2      PHE  21  28.091  -9.520   3.413
  180    HB3  PHE  21           HB1      PHE  21  27.758 -11.060   4.206
  181    HD1  PHE  21           HD2      PHE  21  30.642  -8.747   3.546
  182    HD2  PHE  21           HD1      PHE  21  28.741 -11.454   6.289
  183    HE1  PHE  21           HE2      PHE  21  32.374  -8.243   5.245
  184    HE2  PHE  21           HE1      PHE  21  30.473 -10.947   7.988
  185    HZ   PHE  21           HZ       PHE  21  32.289  -9.341   7.466
  186    H    GLY  22           HN       GLY  22  27.684  -9.991   0.936
  187    HA2  GLY  22           HA2      GLY  22  25.564 -11.765   0.598
  188    HA3  GLY  22           HA1      GLY  22  26.080 -10.587  -0.607
  189    H    PHE  23           HN       PHE  23  28.581 -11.456  -1.267
  190    HA   PHE  23           HA       PHE  23  28.229 -13.314  -3.238
  191    HB2  PHE  23           HB2      PHE  23  30.463 -12.084  -1.961
  192    HB3  PHE  23           HB1      PHE  23  30.817 -13.799  -2.150
  193    HD1  PHE  23           HD1      PHE  23  29.202 -11.023  -4.093
  194    HD2  PHE  23           HD2      PHE  23  31.759 -14.476  -4.174
  195    HE1  PHE  23           HE1      PHE  23  29.586 -10.682  -6.517
  196    HE2  PHE  23           HE2      PHE  23  32.143 -14.132  -6.598
  197    HZ   PHE  23           HZ       PHE  23  31.054 -12.240  -7.771
  198    H    TRP  24           HN       TRP  24  29.932 -14.160  -0.230
  199    HA   TRP  24           HA       TRP  24  29.752 -16.917  -0.489
  200    HB2  TRP  24           HB2      TRP  24  31.213 -16.092   1.178
  201    HB3  TRP  24           HB1      TRP  24  29.937 -15.143   1.941
  202    HD1  TRP  24           HD1      TRP  24  30.649 -18.866   1.167
  203    HE1  TRP  24           HE1      TRP  24  29.751 -20.281   3.128
  204    HE3  TRP  24           HE3      TRP  24  28.632 -15.181   4.049
  205    HZ2  TRP  24           HZ2      TRP  24  28.361 -19.893   5.593
  206    HZ3  TRP  24           HZ3      TRP  24  27.524 -15.726   6.201
  207    HH2  TRP  24           HH2      TRP  24  27.389 -18.077   6.976
  208    H    LEU  25           HN       LEU  25  27.793 -15.011   1.788
  209    HA   LEU  25           HA       LEU  25  25.951 -16.594   2.754
  210    HB2  LEU  25           HB2      LEU  25  25.664 -13.911   1.525
  211    HB3  LEU  25           HB1      LEU  25  24.170 -14.776   1.889
  212    HG   LEU  25           HG       LEU  25  26.355 -14.644   3.936
  213   HD11  LEU  25          HD11      LEU  25  24.240 -12.525   3.454
  214   HD12  LEU  25          HD12      LEU  25  25.976 -12.315   3.223
  215   HD13  LEU  25          HD13      LEU  25  25.328 -12.585   4.841
  216   HD21  LEU  25          HD21      LEU  25  24.710 -15.334   5.388
  217   HD22  LEU  25          HD22      LEU  25  24.006 -15.969   3.901
  218   HD23  LEU  25          HD23      LEU  25  23.450 -14.427   4.551
  219    H    PHE  26           HN       PHE  26  25.109 -15.205  -0.419
  220    HA   PHE  26           HA       PHE  26  23.139 -17.162  -0.916
  221    HB2  PHE  26           HB2      PHE  26  24.548 -15.582  -3.058
  222    HB3  PHE  26           HB1      PHE  26  22.879 -16.155  -3.039
  223    HD1  PHE  26           HD2      PHE  26  21.647 -15.401  -0.672
  224    HD2  PHE  26           HD1      PHE  26  24.752 -13.279  -2.750
  225    HE1  PHE  26           HE2      PHE  26  20.929 -13.294   0.409
  226    HE2  PHE  26           HE1      PHE  26  24.031 -11.169  -1.666
  227    HZ   PHE  26           HZ       PHE  26  22.121 -11.175  -0.087
  228    H    LYS  27           HN       LYS  27  26.423 -16.782  -2.265
  229    HA   LYS  27           HA       LYS  27  26.312 -19.145  -3.821
  230    HB2  LYS  27           HB2      LYS  27  28.710 -17.647  -2.742
  231    HB3  LYS  27           HB1      LYS  27  28.763 -18.887  -3.995
  232    HG2  LYS  27           HG2      LYS  27  27.365 -17.551  -5.461
  233    HG3  LYS  27           HG1      LYS  27  27.115 -16.350  -4.194
  234    HD2  LYS  27           HD2      LYS  27  29.199 -15.437  -4.454
  235    HD3  LYS  27           HD1      LYS  27  29.934 -16.979  -4.896
  236    HE2  LYS  27           HE2      LYS  27  29.628 -15.136  -6.739
  237    HE3  LYS  27           HE1      LYS  27  29.254 -16.815  -7.129
  238    HZ1  LYS  27           HZ1      LYS  27  27.563 -14.844  -7.569
  239    HZ2  LYS  27           HZ2      LYS  27  27.108 -15.216  -5.977
  240    HZ3  LYS  27           HZ3      LYS  27  27.045 -16.410  -7.183
  241    H    TYR  28           HN       TYR  28  25.623 -19.406  -0.872
  242    HA   TYR  28           HA       TYR  28  27.085 -21.891  -0.469
  243    HB2  TYR  28           HB2      TYR  28  28.503 -21.012   1.033
  244    HB3  TYR  28           HB1      TYR  28  27.630 -19.486   1.076
  245    HD1  TYR  28           HD2      TYR  28  27.206 -23.042   2.183
  246    HD2  TYR  28           HD1      TYR  28  26.564 -18.885   3.056
  247    HE1  TYR  28           HE2      TYR  28  26.250 -23.654   4.390
  248    HE2  TYR  28           HE1      TYR  28  25.605 -19.497   5.262
  249    HH   TYR  28           HH       TYR  28  24.898 -21.178   6.555
  250    H    LEU  29           HN       LEU  29  24.690 -19.619   0.899
  251    HA   LEU  29           HA       LEU  29  23.217 -21.841   2.083
  252    HB2  LEU  29           HB2      LEU  29  23.432 -19.047   2.584
  253    HB3  LEU  29           HB1      LEU  29  21.747 -19.396   2.199
  254    HG   LEU  29           HG       LEU  29  23.405 -20.923   4.226
  255   HD11  LEU  29          HD11      LEU  29  23.032 -19.042   5.461
  256   HD12  LEU  29          HD12      LEU  29  21.406 -19.704   5.624
  257   HD13  LEU  29          HD13      LEU  29  21.741 -18.481   4.399
  258   HD21  LEU  29          HD21      LEU  29  21.733 -22.433   4.144
  259   HD22  LEU  29          HD22      LEU  29  20.943 -21.497   2.876
  260   HD23  LEU  29          HD23      LEU  29  20.579 -21.169   4.569
  261    H    GLN  30           HN       GLN  30  22.909 -19.567  -0.590
  262    HA   GLN  30           HA       GLN  30  20.277 -20.587  -1.318
  263    HB2  GLN  30           HB2      GLN  30  20.533 -18.258  -1.667
  264    HB3  GLN  30           HB1      GLN  30  22.092 -18.468  -2.452
  265    HG2  GLN  30           HG2      GLN  30  21.146 -19.315  -4.419
  266    HG3  GLN  30           HG1      GLN  30  19.608 -19.679  -3.629
  267   HE21  GLN  30          HE21      GLN  30  20.827 -16.647  -2.609
  268   HE22  GLN  30          HE22      GLN  30  19.895 -15.668  -3.636
  269    H    LYS  31           HN       LYS  31  23.401 -21.617  -1.720
  270    HA   LYS  31           HA       LYS  31  22.787 -22.946  -4.295
  271    HB2  LYS  31           HB2      LYS  31  25.263 -21.727  -3.205
  272    HB3  LYS  31           HB1      LYS  31  25.456 -23.238  -4.096
  273    HG2  LYS  31           HG2      LYS  31  25.608 -21.214  -5.561
  274    HG3  LYS  31           HG1      LYS  31  24.304 -22.307  -6.024
  275    HD2  LYS  31           HD2      LYS  31  22.653 -20.857  -5.335
  276    HD3  LYS  31           HD1      LYS  31  23.652 -20.160  -4.060
  277    HE2  LYS  31           HE2      LYS  31  24.985 -18.958  -5.745
  278    HE3  LYS  31           HE1      LYS  31  24.011 -19.669  -7.031
  279    HZ1  LYS  31           HZ1      LYS  31  22.852 -18.050  -4.838
  280    HZ2  LYS  31           HZ2      LYS  31  22.103 -18.532  -6.284
  281    HZ3  LYS  31           HZ3      LYS  31  23.348 -17.378  -6.314
  282    H    LYS  32           HN       LYS  32  22.399 -23.624  -1.264
  283    HA   LYS  32           HA       LYS  32  23.892 -26.147  -1.162
  284    HB2  LYS  32           HB2      LYS  32  23.060 -26.306   1.143
  285    HB3  LYS  32           HB1      LYS  32  23.843 -24.749   0.868
  286    HG2  LYS  32           HG2      LYS  32  21.944 -23.832   1.691
  287    HG3  LYS  32           HG1      LYS  32  21.222 -24.248   0.135
  288    HD2  LYS  32           HD2      LYS  32  20.582 -26.472   1.067
  289    HD3  LYS  32           HD1      LYS  32  21.217 -25.967   2.634
  290    HE2  LYS  32           HE2      LYS  32  19.482 -23.906   1.689
  291    HE3  LYS  32           HE1      LYS  32  18.635 -25.444   1.523
  292    HZ1  LYS  32           HZ1      LYS  32  18.597 -25.768   3.738
  293    HZ2  LYS  32           HZ2      LYS  32  18.728 -24.075   3.789
  294    HZ3  LYS  32           HZ3      LYS  32  20.108 -25.043   3.997
  Start of MODEL   20
    1    H1   LYS   1           HT1      LYS   1  22.584  14.979  -5.197
    2    H2   LYS   1           HT2      LYS   1  20.996  15.319  -4.696
    3    H3   LYS   1           HT3      LYS   1  21.563  13.717  -4.707
    4    HA   LYS   1           HA       LYS   1  22.884  15.773  -3.058
    5    HB2  LYS   1           HB2      LYS   1  20.492  15.812  -2.469
    6    HB3  LYS   1           HB1      LYS   1  20.504  14.058  -2.286
    7    HG2  LYS   1           HG2      LYS   1  21.790  14.133  -0.343
    8    HG3  LYS   1           HG1      LYS   1  22.475  15.710  -0.739
    9    HD2  LYS   1           HD2      LYS   1  20.472  16.848  -0.156
   10    HD3  LYS   1           HD1      LYS   1  19.534  15.354  -0.150
   11    HE2  LYS   1           HE2      LYS   1  20.149  16.240   2.149
   12    HE3  LYS   1           HE1      LYS   1  20.629  14.572   1.838
   13    HZ1  LYS   1           HZ1      LYS   1  22.327  16.996   1.800
   14    HZ2  LYS   1           HZ2      LYS   1  22.828  15.526   1.110
   15    HZ3  LYS   1           HZ3      LYS   1  22.492  15.617   2.774
   16    H    LYS   2           HN       LYS   2  24.141  14.767  -1.394
   17    HA   LYS   2           HA       LYS   2  25.233  12.212  -2.213
   18    HB2  LYS   2           HB2      LYS   2  26.190  14.487  -0.831
   19    HB3  LYS   2           HB1      LYS   2  26.264  13.154   0.314
   20    HG2  LYS   2           HG2      LYS   2  27.374  13.002  -2.506
   21    HG3  LYS   2           HG1      LYS   2  28.339  13.425  -1.096
   22    HD2  LYS   2           HD2      LYS   2  26.703  10.930  -0.936
   23    HD3  LYS   2           HD1      LYS   2  28.151  10.899  -1.940
   24    HE2  LYS   2           HE2      LYS   2  28.076  11.796   0.955
   25    HE3  LYS   2           HE1      LYS   2  28.611  10.208   0.408
   26    HZ1  LYS   2           HZ1      LYS   2  30.200  11.505  -1.077
   27    HZ2  LYS   2           HZ2      LYS   2  30.556  11.445   0.583
   28    HZ3  LYS   2           HZ3      LYS   2  29.856  12.840  -0.089
   29    H    HIS   3           HN       HIS   3  22.468  12.378  -1.140
   30    HA   HIS   3           HA       HIS   3  21.088  11.321   0.367
   31    HB2  HIS   3           HB2      HIS   3  22.174   9.455  -0.969
   32    HB3  HIS   3           HB1      HIS   3  23.263   9.229   0.400
   33    HD2  HIS   3           HD2      HIS   3  21.997   6.744   1.050
   34    HE1  HIS   3           HE1      HIS   3  18.327   8.473   2.215
   35    HE2  HIS   3           HE2      HIS   3  19.693   6.332   2.212
   36    H    THR   4           HN       THR   4  21.270   9.873   2.542
   37    HA   THR   4           HA       THR   4  22.071  11.644   4.565
   38    HB   THR   4           HB       THR   4  20.376   9.976   4.994
   39    HG1  THR   4           HG1      THR   4  22.496  10.380   6.508
   40   HG21  THR   4          HG21      THR   4  20.631   7.959   4.027
   41   HG22  THR   4          HG22      THR   4  21.780   7.573   5.305
   42   HG23  THR   4          HG23      THR   4  22.354   8.235   3.775
   43    H    ILE   5           HN       ILE   5  23.257   8.772   5.652
   44    HA   ILE   5           HA       ILE   5  26.047   9.659   5.272
   45    HB   ILE   5           HB       ILE   5  26.398   8.084   7.289
   46   HG12  ILE   5          HG12      ILE   5  23.615   8.692   8.087
   47   HG13  ILE   5          HG11      ILE   5  23.772   7.459   6.835
   48   HG21  ILE   5          HG21      ILE   5  25.403   9.947   8.822
   49   HG22  ILE   5          HG22      ILE   5  25.008  10.754   7.306
   50   HG23  ILE   5          HG23      ILE   5  26.687  10.379   7.694
   51   HD11  ILE   5          HD11      ILE   5  25.103   6.071   8.201
   52   HD12  ILE   5          HD12      ILE   5  23.857   6.671   9.293
   53   HD13  ILE   5          HD13      ILE   5  25.470   7.380   9.323
   54    H    TRP   6           HN       TRP   6  23.784   7.145   4.641
   55    HA   TRP   6           HA       TRP   6  25.243   4.850   4.436
   56    HB2  TRP   6           HB2      TRP   6  22.865   5.906   3.208
   57    HB3  TRP   6           HB1      TRP   6  23.793   4.995   2.017
   58    HD1  TRP   6           HD1      TRP   6  22.625   2.727   1.939
   59    HE1  TRP   6           HE1      TRP   6  22.022   0.916   3.665
   60    HE3  TRP   6           HE3      TRP   6  23.820   5.193   6.239
   61    HZ2  TRP   6           HZ2      TRP   6  22.045   0.562   6.498
   62    HZ3  TRP   6           HZ3      TRP   6  23.521   4.096   8.442
   63    HH2  TRP   6           HH2      TRP   6  22.636   1.784   8.579
   64    H    GLU   7           HN       GLU   7  24.935   7.189   1.748
   65    HA   GLU   7           HA       GLU   7  26.841   6.030   0.078
   66    HB2  GLU   7           HB2      GLU   7  25.749   8.796   0.390
   67    HB3  GLU   7           HB1      GLU   7  27.092   8.514  -0.717
   68    HG2  GLU   7           HG2      GLU   7  24.611   6.800  -0.787
   69    HG3  GLU   7           HG1      GLU   7  24.702   8.319  -1.676
   70    H    VAL   8           HN       VAL   8  27.351   7.410   3.099
   71    HA   VAL   8           HA       VAL   8  30.128   8.166   2.477
   72    HB   VAL   8           HB       VAL   8  28.758   8.580   5.128
   73   HG11  VAL   8          HG11      VAL   8  30.870  10.268   3.801
   74   HG12  VAL   8          HG12      VAL   8  31.307   8.809   4.690
   75   HG13  VAL   8          HG13      VAL   8  30.482  10.131   5.516
   76   HG21  VAL   8          HG21      VAL   8  28.155  10.834   4.332
   77   HG22  VAL   8          HG22      VAL   8  27.365   9.606   3.344
   78   HG23  VAL   8          HG23      VAL   8  28.791  10.447   2.735
   79    H    ILE   9           HN       ILE   9  28.189   6.002   4.490
   80    HA   ILE   9           HA       ILE   9  30.658   4.594   5.277
   81    HB   ILE   9           HB       ILE   9  29.748   5.219   7.290
   82   HG12  ILE   9          HG12      ILE   9  29.559   2.552   6.808
   83   HG13  ILE   9          HG11      ILE   9  29.178   3.291   8.350
   84   HG21  ILE   9          HG21      ILE   9  27.244   5.261   7.695
   85   HG22  ILE   9          HG22      ILE   9  27.055   4.994   5.959
   86   HG23  ILE   9          HG23      ILE   9  27.876   6.438   6.551
   87   HD11  ILE   9          HD11      ILE   9  27.060   2.936   6.224
   88   HD12  ILE   9          HD12      ILE   9  26.842   3.249   7.940
   89   HD13  ILE   9          HD13      ILE   9  27.427   1.678   7.397
   90    H    ALA  10           HN       ALA  10  27.290   4.149   4.257
   91    HA   ALA  10           HA       ALA  10  27.526   1.327   3.867
   92    HB1  ALA  10           HB1      ALA  10  25.569   3.238   2.572
   93    HB2  ALA  10           HB2      ALA  10  25.358   2.534   4.177
   94    HB3  ALA  10           HB3      ALA  10  25.383   1.494   2.754
   95    H    GLY  11           HN       GLY  11  27.022   3.867   1.398
   96    HA2  GLY  11           HA2      GLY  11  27.744   2.380  -0.822
   97    HA3  GLY  11           HA1      GLY  11  27.957   4.127  -0.698
   98    H    LEU  12           HN       LEU  12  29.633   3.353   1.805
   99    HA   LEU  12           HA       LEU  12  32.143   3.063   0.316
  100    HB2  LEU  12           HB2      LEU  12  31.732   5.040   1.888
  101    HB3  LEU  12           HB1      LEU  12  31.865   3.876   3.208
  102    HG   LEU  12           HG       LEU  12  34.071   3.189   1.849
  103   HD11  LEU  12          HD11      LEU  12  33.638   4.887   0.082
  104   HD12  LEU  12          HD12      LEU  12  35.159   5.180   0.925
  105   HD13  LEU  12          HD13      LEU  12  33.740   6.155   1.303
  106   HD21  LEU  12          HD21      LEU  12  34.050   3.851   4.194
  107   HD22  LEU  12          HD22      LEU  12  33.780   5.537   3.751
  108   HD23  LEU  12          HD23      LEU  12  35.314   4.758   3.363
  109    H    VAL  13           HN       VAL  13  30.105   1.552   2.703
  110    HA   VAL  13           HA       VAL  13  32.132  -0.575   3.082
  111    HB   VAL  13           HB       VAL  13  29.845   0.207   4.906
  112   HG11  VAL  13          HG11      VAL  13  30.195  -2.151   5.100
  113   HG12  VAL  13          HG12      VAL  13  31.064  -1.419   6.449
  114   HG13  VAL  13          HG13      VAL  13  31.947  -1.966   5.026
  115   HG21  VAL  13          HG21      VAL  13  32.765   0.315   5.604
  116   HG22  VAL  13          HG22      VAL  13  31.427   1.248   6.272
  117   HG23  VAL  13          HG23      VAL  13  32.060   1.636   4.673
  118    H    ALA  14           HN       ALA  14  28.590  -0.098   3.010
  119    HA   ALA  14           HA       ALA  14  27.730  -2.673   2.726
  120    HB1  ALA  14           HB1      ALA  14  26.739  -0.277   1.161
  121    HB2  ALA  14           HB2      ALA  14  26.197  -0.759   2.768
  122    HB3  ALA  14           HB3      ALA  14  25.858  -1.789   1.378
  123    H    LEU  15           HN       LEU  15  28.895  -0.572   0.092
  124    HA   LEU  15           HA       LEU  15  28.647  -2.519  -1.944
  125    HB2  LEU  15           HB2      LEU  15  28.923  -0.085  -2.380
  126    HB3  LEU  15           HB1      LEU  15  30.581  -0.187  -1.789
  127    HG   LEU  15           HG       LEU  15  31.102  -1.838  -3.568
  128   HD11  LEU  15          HD11      LEU  15  29.219  -1.746  -5.463
  129   HD12  LEU  15          HD12      LEU  15  28.169  -1.519  -4.063
  130   HD13  LEU  15          HD13      LEU  15  29.177  -2.961  -4.186
  131   HD21  LEU  15          HD21      LEU  15  30.560   0.940  -3.870
  132   HD22  LEU  15          HD22      LEU  15  30.035   0.141  -5.351
  133   HD23  LEU  15          HD23      LEU  15  31.696  -0.046  -4.791
  134    H    LEU  16           HN       LEU  16  31.091  -1.835   0.449
  135    HA   LEU  16           HA       LEU  16  32.938  -3.784  -0.726
  136    HB2  LEU  16           HB2      LEU  16  33.363  -2.189   1.798
  137    HB3  LEU  16           HB1      LEU  16  34.579  -2.928   0.751
  138    HG   LEU  16           HG       LEU  16  32.782  -0.585   0.068
  139   HD11  LEU  16          HD11      LEU  16  34.741   0.730   0.118
  140   HD12  LEU  16          HD12      LEU  16  35.797  -0.681   0.034
  141   HD13  LEU  16          HD13      LEU  16  34.919  -0.325   1.521
  142   HD21  LEU  16          HD21      LEU  16  34.607  -2.308  -1.604
  143   HD22  LEU  16          HD22      LEU  16  34.292  -0.630  -2.046
  144   HD23  LEU  16          HD23      LEU  16  32.961  -1.783  -1.956
  145    H    THR  17           HN       THR  17  30.269  -4.017   1.053
  146    HA   THR  17           HA       THR  17  31.316  -6.263   2.661
  147    HB   THR  17           HB       THR  17  29.440  -4.067   3.426
  148    HG1  THR  17           HG1      THR  17  31.260  -5.551   4.983
  149   HG21  THR  17          HG21      THR  17  28.804  -5.634   5.384
  150   HG22  THR  17          HG22      THR  17  29.310  -6.943   4.317
  151   HG23  THR  17          HG23      THR  17  27.985  -5.880   3.842
  152    H    PHE  18           HN       PHE  18  28.227  -4.913   1.489
  153    HA   PHE  18           HA       PHE  18  26.617  -7.087   1.483
  154    HB2  PHE  18           HB2      PHE  18  26.283  -4.677   0.474
  155    HB3  PHE  18           HB1      PHE  18  26.703  -5.476  -1.041
  156    HD1  PHE  18           HD1      PHE  18  24.466  -5.835   1.941
  157    HD2  PHE  18           HD2      PHE  18  25.061  -6.657  -2.233
  158    HE1  PHE  18           HE1      PHE  18  22.169  -6.760   1.796
  159    HE2  PHE  18           HE2      PHE  18  22.763  -7.582  -2.378
  160    HZ   PHE  18           HZ       PHE  18  21.318  -7.634  -0.364
  161    H    LEU  19           HN       LEU  19  28.936  -6.314  -1.120
  162    HA   LEU  19           HA       LEU  19  28.448  -8.734  -2.565
  163    HB2  LEU  19           HB2      LEU  19  30.550  -6.586  -2.675
  164    HB3  LEU  19           HB1      LEU  19  30.731  -8.056  -3.629
  165    HG   LEU  19           HG       LEU  19  29.595  -6.154  -4.848
  166   HD11  LEU  19          HD11      LEU  19  28.539  -7.715  -6.089
  167   HD12  LEU  19          HD12      LEU  19  27.404  -8.072  -4.789
  168   HD13  LEU  19          HD13      LEU  19  28.965  -8.886  -4.842
  169   HD21  LEU  19          HD21      LEU  19  27.401  -5.464  -4.213
  170   HD22  LEU  19          HD22      LEU  19  28.358  -5.427  -2.731
  171   HD23  LEU  19          HD23      LEU  19  27.255  -6.768  -3.036
  172    H    ALA  20           HN       ALA  20  31.130  -7.659  -0.470
  173    HA   ALA  20           HA       ALA  20  32.767  -9.853  -0.568
  174    HB1  ALA  20           HB1      ALA  20  32.460  -7.628   1.135
  175    HB2  ALA  20           HB2      ALA  20  33.824  -8.744   1.066
  176    HB3  ALA  20           HB3      ALA  20  32.494  -9.045   2.185
  177    H    PHE  21           HN       PHE  21  30.052  -9.429   1.719
  178    HA   PHE  21           HA       PHE  21  30.221 -12.186   2.572
  179    HB2  PHE  21           HB2      PHE  21  28.291  -9.947   3.200
  180    HB3  PHE  21           HB1      PHE  21  28.148 -11.569   3.878
  181    HD1  PHE  21           HD2      PHE  21  30.570  -8.742   3.493
  182    HD2  PHE  21           HD1      PHE  21  29.370 -12.166   5.793
  183    HE1  PHE  21           HE2      PHE  21  32.258  -8.175   5.218
  184    HE2  PHE  21           HE1      PHE  21  31.058 -11.598   7.518
  185    HZ   PHE  21           HZ       PHE  21  32.502  -9.603   7.229
  186    H    GLY  22           HN       GLY  22  28.168 -10.237   0.467
  187    HA2  GLY  22           HA2      GLY  22  26.061 -12.019   0.051
  188    HA3  GLY  22           HA1      GLY  22  26.624 -10.841  -1.131
  189    H    PHE  23           HN       PHE  23  29.160 -11.746  -1.680
  190    HA   PHE  23           HA       PHE  23  28.748 -13.687  -3.622
  191    HB2  PHE  23           HB2      PHE  23  31.031 -12.320  -2.462
  192    HB3  PHE  23           HB1      PHE  23  31.421 -13.990  -2.871
  193    HD1  PHE  23           HD2      PHE  23  30.320 -14.784  -5.207
  194    HD2  PHE  23           HD1      PHE  23  31.312 -10.738  -4.158
  195    HE1  PHE  23           HE2      PHE  23  30.419 -14.183  -7.612
  196    HE2  PHE  23           HE1      PHE  23  31.411 -10.138  -6.560
  197    HZ   PHE  23           HZ       PHE  23  30.964 -11.861  -8.288
  198    H    TRP  24           HN       TRP  24  28.943 -14.035  -0.253
  199    HA   TRP  24           HA       TRP  24  29.500 -16.919  -0.468
  200    HB2  TRP  24           HB2      TRP  24  31.007 -15.882   1.073
  201    HB3  TRP  24           HB1      TRP  24  29.691 -15.010   1.862
  202    HD1  TRP  24           HD1      TRP  24  30.380 -18.720   1.014
  203    HE1  TRP  24           HE1      TRP  24  29.744 -20.145   3.072
  204    HE3  TRP  24           HE3      TRP  24  28.819 -15.043   4.171
  205    HZ2  TRP  24           HZ2      TRP  24  28.710 -19.766   5.707
  206    HZ3  TRP  24           HZ3      TRP  24  28.011 -15.593   6.453
  207    HH2  TRP  24           HH2      TRP  24  27.955 -17.949   7.222
  208    H    LEU  25           HN       LEU  25  27.706 -14.976   1.883
  209    HA   LEU  25           HA       LEU  25  25.876 -16.497   2.929
  210    HB2  LEU  25           HB2      LEU  25  25.614 -13.789   1.770
  211    HB3  LEU  25           HB1      LEU  25  24.105 -14.608   2.174
  212    HG   LEU  25           HG       LEU  25  26.394 -14.569   4.131
  213   HD11  LEU  25          HD11      LEU  25  25.932 -12.218   3.476
  214   HD12  LEU  25          HD12      LEU  25  25.440 -12.542   5.139
  215   HD13  LEU  25          HD13      LEU  25  24.228 -12.460   3.858
  216   HD21  LEU  25          HD21      LEU  25  24.850 -15.386   5.603
  217   HD22  LEU  25          HD22      LEU  25  23.985 -15.860   4.140
  218   HD23  LEU  25          HD23      LEU  25  23.561 -14.362   4.968
  219    H    PHE  26           HN       PHE  26  25.235 -15.253  -0.364
  220    HA   PHE  26           HA       PHE  26  23.037 -17.068  -0.734
  221    HB2  PHE  26           HB2      PHE  26  24.479 -15.642  -2.956
  222    HB3  PHE  26           HB1      PHE  26  22.769 -16.060  -2.841
  223    HD1  PHE  26           HD2      PHE  26  21.759 -15.138  -0.414
  224    HD2  PHE  26           HD1      PHE  26  24.869 -13.349  -2.775
  225    HE1  PHE  26           HE2      PHE  26  21.277 -12.940   0.619
  226    HE2  PHE  26           HE1      PHE  26  24.387 -11.149  -1.740
  227    HZ   PHE  26           HZ       PHE  26  22.596 -10.946  -0.040
  228    H    LYS  27           HN       LYS  27  26.108 -16.759  -2.524
  229    HA   LYS  27           HA       LYS  27  26.001 -19.112  -3.942
  230    HB2  LYS  27           HB2      LYS  27  28.577 -18.108  -2.737
  231    HB3  LYS  27           HB1      LYS  27  28.337 -18.915  -4.283
  232    HG2  LYS  27           HG2      LYS  27  27.424 -16.121  -3.535
  233    HG3  LYS  27           HG1      LYS  27  28.661 -16.554  -4.713
  234    HD2  LYS  27           HD2      LYS  27  26.823 -17.856  -5.937
  235    HD3  LYS  27           HD1      LYS  27  25.680 -17.008  -4.893
  236    HE2  LYS  27           HE2      LYS  27  27.734 -15.618  -6.638
  237    HE3  LYS  27           HE1      LYS  27  26.049 -15.862  -7.094
  238    HZ1  LYS  27           HZ1      LYS  27  25.677 -13.950  -6.048
  239    HZ2  LYS  27           HZ2      LYS  27  27.191 -13.962  -5.276
  240    HZ3  LYS  27           HZ3      LYS  27  25.884 -14.810  -4.600
  241    H    TYR  28           HN       TYR  28  26.061 -18.882  -0.584
  242    HA   TYR  28           HA       TYR  28  27.082 -21.655  -0.334
  243    HB2  TYR  28           HB2      TYR  28  28.522 -20.750   1.142
  244    HB3  TYR  28           HB1      TYR  28  27.613 -19.244   1.243
  245    HD1  TYR  28           HD2      TYR  28  27.500 -22.820   2.320
  246    HD2  TYR  28           HD1      TYR  28  26.295 -18.781   3.129
  247    HE1  TYR  28           HE2      TYR  28  26.556 -23.538   4.499
  248    HE2  TYR  28           HE1      TYR  28  25.353 -19.493   5.307
  249    HH   TYR  28           HH       TYR  28  25.349 -22.922   6.271
  250    H    LEU  29           HN       LEU  29  24.785 -19.311   1.048
  251    HA   LEU  29           HA       LEU  29  23.261 -21.460   2.276
  252    HB2  LEU  29           HB2      LEU  29  23.711 -19.067   3.225
  253    HB3  LEU  29           HB1      LEU  29  22.370 -18.596   2.183
  254    HG   LEU  29           HG       LEU  29  21.332 -20.819   3.366
  255   HD11  LEU  29          HD11      LEU  29  21.874 -20.740   5.748
  256   HD12  LEU  29          HD12      LEU  29  23.014 -19.425   5.466
  257   HD13  LEU  29          HD13      LEU  29  23.343 -21.031   4.817
  258   HD21  LEU  29          HD21      LEU  29  20.237 -18.630   3.163
  259   HD22  LEU  29          HD22      LEU  29  21.287 -17.975   4.421
  260   HD23  LEU  29          HD23      LEU  29  20.106 -19.223   4.820
  261    H    GLN  30           HN       GLN  30  23.000 -19.258  -0.454
  262    HA   GLN  30           HA       GLN  30  20.278 -20.096  -1.054
  263    HB2  GLN  30           HB2      GLN  30  20.896 -17.780  -1.467
  264    HB3  GLN  30           HB1      GLN  30  22.201 -18.294  -2.532
  265    HG2  GLN  30           HG2      GLN  30  20.795 -18.833  -4.248
  266    HG3  GLN  30           HG1      GLN  30  19.495 -19.332  -3.166
  267   HE21  GLN  30          HE21      GLN  30  20.972 -16.219  -2.546
  268   HE22  GLN  30          HE22      GLN  30  19.695 -15.279  -3.148
  269    H    LYS  31           HN       LYS  31  23.375 -21.281  -1.629
  270    HA   LYS  31           HA       LYS  31  22.490 -22.723  -4.058
  271    HB2  LYS  31           HB2      LYS  31  25.111 -21.608  -3.199
  272    HB3  LYS  31           HB1      LYS  31  25.131 -23.122  -4.103
  273    HG2  LYS  31           HG2      LYS  31  25.265 -21.129  -5.591
  274    HG3  LYS  31           HG1      LYS  31  23.830 -22.105  -5.904
  275    HD2  LYS  31           HD2      LYS  31  22.392 -20.552  -4.937
  276    HD3  LYS  31           HD1      LYS  31  23.659 -19.854  -3.927
  277    HE2  LYS  31           HE2      LYS  31  24.714 -18.876  -5.935
  278    HE3  LYS  31           HE1      LYS  31  23.440 -19.564  -6.939
  279    HZ1  LYS  31           HZ1      LYS  31  21.818 -18.245  -5.820
  280    HZ2  LYS  31           HZ2      LYS  31  23.071 -17.214  -6.321
  281    HZ3  LYS  31           HZ3      LYS  31  22.955 -17.687  -4.694
  282    H    LYS  32           HN       LYS  32  22.201 -23.294  -1.036
  283    HA   LYS  32           HA       LYS  32  23.653 -25.841  -0.879
  284    HB2  LYS  32           HB2      LYS  32  22.902 -25.890   1.459
  285    HB3  LYS  32           HB1      LYS  32  23.717 -24.370   1.094
  286    HG2  LYS  32           HG2      LYS  32  21.878 -23.368   1.952
  287    HG3  LYS  32           HG1      LYS  32  21.086 -23.820   0.441
  288    HD2  LYS  32           HD2      LYS  32  20.421 -25.989   1.480
  289    HD3  LYS  32           HD1      LYS  32  21.124 -25.443   3.002
  290    HE2  LYS  32           HE2      LYS  32  19.420 -23.365   2.056
  291    HE3  LYS  32           HE1      LYS  32  18.521 -24.878   1.948
  292    HZ1  LYS  32           HZ1      LYS  32  18.671 -25.238   4.188
  293    HZ2  LYS  32           HZ2      LYS  32  18.578 -23.542   4.160
  294    HZ3  LYS  32           HZ3      LYS  32  20.080 -24.311   4.370
  Start of MODEL   21
    1    H1   LYS   1           HT1      LYS   1  20.108  15.572  -4.536
    2    H2   LYS   1           HT2      LYS   1  20.096  16.978  -3.582
    3    H3   LYS   1           HT3      LYS   1  20.169  15.449  -2.846
    4    HA   LYS   1           HA       LYS   1  22.269  16.752  -4.485
    5    HB2  LYS   1           HB2      LYS   1  21.720  16.444  -1.618
    6    HB3  LYS   1           HB1      LYS   1  23.338  15.912  -2.079
    7    HG2  LYS   1           HG2      LYS   1  23.801  18.050  -3.132
    8    HG3  LYS   1           HG1      LYS   1  22.142  18.585  -2.862
    9    HD2  LYS   1           HD2      LYS   1  22.444  18.751  -0.529
   10    HD3  LYS   1           HD1      LYS   1  23.888  17.738  -0.556
   11    HE2  LYS   1           HE2      LYS   1  23.731  20.450  -1.896
   12    HE3  LYS   1           HE1      LYS   1  24.349  20.208  -0.262
   13    HZ1  LYS   1           HZ1      LYS   1  25.408  18.929  -2.725
   14    HZ2  LYS   1           HZ2      LYS   1  25.997  18.681  -1.150
   15    HZ3  LYS   1           HZ3      LYS   1  26.136  20.207  -1.882
   16    H    LYS   2           HN       LYS   2  22.211  14.079  -2.150
   17    HA   LYS   2           HA       LYS   2  22.938  12.182  -4.269
   18    HB2  LYS   2           HB2      LYS   2  25.102  12.887  -3.552
   19    HB3  LYS   2           HB1      LYS   2  24.632  12.825  -1.853
   20    HG2  LYS   2           HG2      LYS   2  24.564  10.460  -1.836
   21    HG3  LYS   2           HG1      LYS   2  24.530  10.363  -3.598
   22    HD2  LYS   2           HD2      LYS   2  26.763   9.779  -2.783
   23    HD3  LYS   2           HD1      LYS   2  26.832  11.304  -3.666
   24    HE2  LYS   2           HE2      LYS   2  26.974  12.580  -1.669
   25    HE3  LYS   2           HE1      LYS   2  26.464  11.219  -0.669
   26    HZ1  LYS   2           HZ1      LYS   2  28.893  11.698  -0.624
   27    HZ2  LYS   2           HZ2      LYS   2  28.969  11.236  -2.256
   28    HZ3  LYS   2           HZ3      LYS   2  28.502  10.111  -1.072
   29    H    HIS   3           HN       HIS   3  23.142  12.044  -0.723
   30    HA   HIS   3           HA       HIS   3  20.693  10.650  -0.350
   31    HB2  HIS   3           HB2      HIS   3  22.138   8.935  -1.581
   32    HB3  HIS   3           HB1      HIS   3  23.128   8.884  -0.124
   33    HD2  HIS   3           HD2      HIS   3  22.167   6.251   0.503
   34    HE1  HIS   3           HE1      HIS   3  18.202   7.470   1.290
   35    HE2  HIS   3           HE2      HIS   3  19.848   5.545   1.474
   36    H    THR   4           HN       THR   4  21.093   9.223   1.878
   37    HA   THR   4           HA       THR   4  21.578  11.203   3.859
   38    HB   THR   4           HB       THR   4  20.009   9.493   4.390
   39    HG1  THR   4           HG1      THR   4  20.953   8.622   6.268
   40   HG21  THR   4          HG21      THR   4  20.270   7.505   3.364
   41   HG22  THR   4          HG22      THR   4  21.443   7.106   4.618
   42   HG23  THR   4          HG23      THR   4  21.986   7.801   3.091
   43    H    ILE   5           HN       ILE   5  22.971   8.309   4.874
   44    HA   ILE   5           HA       ILE   5  25.699   9.415   4.570
   45    HB   ILE   5           HB       ILE   5  26.122   8.067   6.727
   46   HG12  ILE   5          HG12      ILE   5  23.330   8.560   7.515
   47   HG13  ILE   5          HG11      ILE   5  23.512   7.276   6.319
   48   HG21  ILE   5          HG21      ILE   5  26.283  10.354   7.038
   49   HG22  ILE   5          HG22      ILE   5  24.871  10.014   8.039
   50   HG23  ILE   5          HG23      ILE   5  24.662  10.658   6.411
   51   HD11  ILE   5          HD11      ILE   5  24.988   6.041   7.713
   52   HD12  ILE   5          HD12      ILE   5  23.679   6.566   8.773
   53   HD13  ILE   5          HD13      ILE   5  25.229   7.410   8.798
   54    H    TRP   6           HN       TRP   6  23.586   6.690   4.262
   55    HA   TRP   6           HA       TRP   6  25.193   4.492   4.233
   56    HB2  TRP   6           HB2      TRP   6  22.738   5.275   2.930
   57    HB3  TRP   6           HB1      TRP   6  23.712   4.279   1.848
   58    HD1  TRP   6           HD1      TRP   6  22.648   1.963   2.056
   59    HE1  TRP   6           HE1      TRP   6  22.160   0.342   3.995
   60    HE3  TRP   6           HE3      TRP   6  23.769   4.976   6.014
   61    HZ2  TRP   6           HZ2      TRP   6  22.235   0.329   6.849
   62    HZ3  TRP   6           HZ3      TRP   6  23.553   4.136   8.336
   63    HH2  TRP   6           HH2      TRP   6  22.787   1.816   8.759
   64    H    GLU   7           HN       GLU   7  24.617   6.402   1.269
   65    HA   GLU   7           HA       GLU   7  26.576   5.279  -0.312
   66    HB2  GLU   7           HB2      GLU   7  25.276   7.956  -0.207
   67    HB3  GLU   7           HB1      GLU   7  26.670   7.747  -1.268
   68    HG2  GLU   7           HG2      GLU   7  24.305   5.860  -1.277
   69    HG3  GLU   7           HG1      GLU   7  24.400   7.272  -2.328
   70    H    VAL   8           HN       VAL   8  27.041   7.107   2.521
   71    HA   VAL   8           HA       VAL   8  29.765   7.883   1.752
   72    HB   VAL   8           HB       VAL   8  28.463   8.516   4.391
   73   HG11  VAL   8          HG11      VAL   8  30.966   8.862   3.825
   74   HG12  VAL   8          HG12      VAL   8  30.081  10.231   4.500
   75   HG13  VAL   8          HG13      VAL   8  30.402  10.156   2.767
   76   HG21  VAL   8          HG21      VAL   8  26.921   9.235   2.589
   77   HG22  VAL   8          HG22      VAL   8  28.253  10.070   1.790
   78   HG23  VAL   8          HG23      VAL   8  27.682  10.624   3.362
   79    H    ILE   9           HN       ILE   9  28.018   5.863   4.075
   80    HA   ILE   9           HA       ILE   9  30.592   4.692   4.913
   81    HB   ILE   9           HB       ILE   9  29.703   5.501   6.875
   82   HG12  ILE   9          HG12      ILE   9  29.706   2.790   6.707
   83   HG13  ILE   9          HG11      ILE   9  29.328   3.673   8.171
   84   HG21  ILE   9          HG21      ILE   9  27.217   5.402   7.381
   85   HG22  ILE   9          HG22      ILE   9  26.992   4.923   5.697
   86   HG23  ILE   9          HG23      ILE   9  27.714   6.482   6.084
   87   HD11  ILE   9          HD11      ILE   9  27.673   1.837   7.495
   88   HD12  ILE   9          HD12      ILE   9  27.167   2.913   6.199
   89   HD13  ILE   9          HD13      ILE   9  26.988   3.415   7.875
   90    H    ALA  10           HN       ALA  10  27.223   3.923   4.100
   91    HA   ALA  10           HA       ALA  10  27.632   1.098   4.027
   92    HB1  ALA  10           HB1      ALA  10  25.402   2.162   4.276
   93    HB2  ALA  10           HB2      ALA  10  25.455   1.014   2.939
   94    HB3  ALA  10           HB3      ALA  10  25.520   2.746   2.616
   95    H    GLY  11           HN       GLY  11  26.916   3.298   1.298
   96    HA2  GLY  11           HA2      GLY  11  27.662   1.598  -0.755
   97    HA3  GLY  11           HA1      GLY  11  27.774   3.354  -0.847
   98    H    LEU  12           HN       LEU  12  29.558   2.982   1.675
   99    HA   LEU  12           HA       LEU  12  32.041   2.658   0.149
  100    HB2  LEU  12           HB2      LEU  12  31.559   4.782   1.486
  101    HB3  LEU  12           HB1      LEU  12  31.786   3.795   2.931
  102    HG   LEU  12           HG       LEU  12  33.983   3.090   1.472
  103   HD11  LEU  12          HD11      LEU  12  33.674   6.067   1.043
  104   HD12  LEU  12          HD12      LEU  12  33.265   4.889  -0.203
  105   HD13  LEU  12          HD13      LEU  12  34.920   5.002   0.394
  106   HD21  LEU  12          HD21      LEU  12  33.682   5.429   3.385
  107   HD22  LEU  12          HD22      LEU  12  35.213   4.660   2.968
  108   HD23  LEU  12          HD23      LEU  12  33.976   3.748   3.833
  109    H    VAL  13           HN       VAL  13  30.155   1.307   2.744
  110    HA   VAL  13           HA       VAL  13  32.348  -0.585   3.360
  111    HB   VAL  13           HB       VAL  13  29.954   0.230   5.020
  112   HG11  VAL  13          HG11      VAL  13  31.516  -1.248   6.669
  113   HG12  VAL  13          HG12      VAL  13  31.807  -2.086   5.145
  114   HG13  VAL  13          HG13      VAL  13  30.162  -1.924   5.762
  115   HG21  VAL  13          HG21      VAL  13  31.509   1.327   6.417
  116   HG22  VAL  13          HG22      VAL  13  32.094   1.706   4.797
  117   HG23  VAL  13          HG23      VAL  13  32.876   0.440   5.743
  118    H    ALA  14           HN       ALA  14  28.788  -0.464   3.081
  119    HA   ALA  14           HA       ALA  14  28.174  -3.122   3.082
  120    HB1  ALA  14           HB1      ALA  14  26.267  -2.607   1.685
  121    HB2  ALA  14           HB2      ALA  14  27.053  -1.151   1.078
  122    HB3  ALA  14           HB3      ALA  14  26.547  -1.242   2.764
  123    H    LEU  15           HN       LEU  15  29.283  -1.257   0.251
  124    HA   LEU  15           HA       LEU  15  29.338  -3.427  -1.553
  125    HB2  LEU  15           HB2      LEU  15  31.117  -0.976  -1.556
  126    HB3  LEU  15           HB1      LEU  15  30.741  -2.007  -2.940
  127    HG   LEU  15           HG       LEU  15  28.723  -0.400  -1.352
  128   HD11  LEU  15          HD11      LEU  15  30.486   0.647  -3.106
  129   HD12  LEU  15          HD12      LEU  15  28.835   1.242  -2.954
  130   HD13  LEU  15          HD13      LEU  15  29.248   0.104  -4.238
  131   HD21  LEU  15          HD21      LEU  15  28.524  -2.397  -3.579
  132   HD22  LEU  15          HD22      LEU  15  27.390  -1.048  -3.552
  133   HD23  LEU  15          HD23      LEU  15  27.465  -2.164  -2.188
  134    H    LEU  16           HN       LEU  16  31.550  -2.281   0.871
  135    HA   LEU  16           HA       LEU  16  33.597  -4.220   0.072
  136    HB2  LEU  16           HB2      LEU  16  33.751  -2.262   2.355
  137    HB3  LEU  16           HB1      LEU  16  35.080  -3.044   1.496
  138    HG   LEU  16           HG       LEU  16  33.171  -0.975   0.375
  139   HD11  LEU  16          HD11      LEU  16  35.148  -0.304   1.895
  140   HD12  LEU  16          HD12      LEU  16  35.037   0.484   0.321
  141   HD13  LEU  16          HD13      LEU  16  36.181  -0.836   0.568
  142   HD21  LEU  16          HD21      LEU  16  35.224  -2.767  -0.910
  143   HD22  LEU  16          HD22      LEU  16  34.835  -1.197  -1.611
  144   HD23  LEU  16          HD23      LEU  16  33.576  -2.421  -1.436
  145    H    THR  17           HN       THR  17  30.843  -4.451   1.660
  146    HA   THR  17           HA       THR  17  31.869  -6.515   3.477
  147    HB   THR  17           HB       THR  17  30.115  -4.192   4.269
  148    HG1  THR  17           HG1      THR  17  32.570  -4.457   4.477
  149   HG21  THR  17          HG21      THR  17  28.880  -5.892   5.243
  150   HG22  THR  17          HG22      THR  17  30.093  -5.629   6.496
  151   HG23  THR  17          HG23      THR  17  30.268  -6.972   5.366
  152    H    PHE  18           HN       PHE  18  28.692  -4.997   2.973
  153    HA   PHE  18           HA       PHE  18  27.130  -7.245   3.073
  154    HB2  PHE  18           HB2      PHE  18  26.509  -4.725   2.714
  155    HB3  PHE  18           HB1      PHE  18  26.523  -5.158   1.006
  156    HD1  PHE  18           HD2      PHE  18  25.255  -6.515   4.271
  157    HD2  PHE  18           HD1      PHE  18  24.525  -5.936   0.077
  158    HE1  PHE  18           HE2      PHE  18  23.011  -7.538   4.520
  159    HE2  PHE  18           HE1      PHE  18  22.281  -6.959   0.326
  160    HZ   PHE  18           HZ       PHE  18  21.524  -7.759   2.548
  161    H    LEU  19           HN       LEU  19  28.575  -5.849   0.123
  162    HA   LEU  19           HA       LEU  19  27.728  -7.984  -1.574
  163    HB2  LEU  19           HB2      LEU  19  29.694  -5.723  -1.829
  164    HB3  LEU  19           HB1      LEU  19  29.611  -6.968  -3.070
  165    HG   LEU  19           HG       LEU  19  28.155  -4.939  -3.506
  166   HD11  LEU  19          HD11      LEU  19  26.086  -6.964  -3.285
  167   HD12  LEU  19          HD12      LEU  19  27.585  -7.672  -3.883
  168   HD13  LEU  19          HD13      LEU  19  26.852  -6.312  -4.733
  169   HD21  LEU  19          HD21      LEU  19  26.228  -4.540  -2.170
  170   HD22  LEU  19          HD22      LEU  19  27.546  -4.770  -1.023
  171   HD23  LEU  19          HD23      LEU  19  26.404  -6.077  -1.321
  172    H    ALA  20           HN       ALA  20  30.874  -7.155  -0.113
  173    HA   ALA  20           HA       ALA  20  32.462  -9.151  -1.101
  174    HB1  ALA  20           HB1      ALA  20  33.817  -8.064   0.323
  175    HB2  ALA  20           HB2      ALA  20  33.145  -9.072   1.606
  176    HB3  ALA  20           HB3      ALA  20  32.451  -7.484   1.277
  177    H    PHE  21           HN       PHE  21  30.491  -9.418   1.870
  178    HA   PHE  21           HA       PHE  21  30.919 -12.277   1.991
  179    HB2  PHE  21           HB2      PHE  21  29.264 -10.367   3.646
  180    HB3  PHE  21           HB1      PHE  21  29.325 -12.104   3.945
  181    HD1  PHE  21           HD1      PHE  21  31.617  -9.184   3.399
  182    HD2  PHE  21           HD2      PHE  21  30.976 -12.944   5.372
  183    HE1  PHE  21           HE1      PHE  21  33.742  -8.892   4.643
  184    HE2  PHE  21           HE2      PHE  21  33.101 -12.653   6.617
  185    HZ   PHE  21           HZ       PHE  21  34.482 -10.626   6.251
  186    H    GLY  22           HN       GLY  22  28.350 -10.059   1.050
  187    HA2  GLY  22           HA2      GLY  22  26.194 -11.818   0.875
  188    HA3  GLY  22           HA1      GLY  22  26.413 -10.403  -0.149
  189    H    PHE  23           HN       PHE  23  28.692 -11.069  -1.543
  190    HA   PHE  23           HA       PHE  23  27.726 -12.600  -3.652
  191    HB2  PHE  23           HB2      PHE  23  30.250 -11.369  -2.919
  192    HB3  PHE  23           HB1      PHE  23  30.504 -12.908  -3.744
  193    HD1  PHE  23           HD1      PHE  23  28.785 -13.293  -5.794
  194    HD2  PHE  23           HD2      PHE  23  30.055  -9.480  -4.278
  195    HE1  PHE  23           HE1      PHE  23  28.206 -12.237  -7.962
  196    HE2  PHE  23           HE2      PHE  23  29.478  -8.426  -6.445
  197    HZ   PHE  23           HZ       PHE  23  28.553  -9.804  -8.288
  198    H    TRP  24           HN       TRP  24  28.949 -13.586  -0.624
  199    HA   TRP  24           HA       TRP  24  29.390 -16.337  -1.569
  200    HB2  TRP  24           HB2      TRP  24  31.253 -15.529  -0.297
  201    HB3  TRP  24           HB1      TRP  24  30.192 -14.924   0.976
  202    HD1  TRP  24           HD1      TRP  24  30.654 -18.336  -0.785
  203    HE1  TRP  24           HE1      TRP  24  30.626 -20.182   1.018
  204    HE3  TRP  24           HE3      TRP  24  29.997 -15.476   3.375
  205    HZ2  TRP  24           HZ2      TRP  24  30.358 -20.406   3.853
  206    HZ3  TRP  24           HZ3      TRP  24  29.856 -16.524   5.622
  207    HH2  TRP  24           HH2      TRP  24  30.036 -18.984   5.863
  208    H    LEU  25           HN       LEU  25  28.294 -15.022   1.529
  209    HA   LEU  25           HA       LEU  25  26.817 -16.840   2.667
  210    HB2  LEU  25           HB2      LEU  25  26.262 -13.963   2.252
  211    HB3  LEU  25           HB1      LEU  25  24.920 -14.934   2.860
  212    HG   LEU  25           HG       LEU  25  27.658 -15.198   4.074
  213   HD11  LEU  25          HD11      LEU  25  27.045 -13.480   5.726
  214   HD12  LEU  25          HD12      LEU  25  25.542 -13.172   4.858
  215   HD13  LEU  25          HD13      LEU  25  27.087 -12.788   4.105
  216   HD21  LEU  25          HD21      LEU  25  25.160 -15.304   5.666
  217   HD22  LEU  25          HD22      LEU  25  26.567 -16.365   5.712
  218   HD23  LEU  25          HD23      LEU  25  25.342 -16.581   4.464
  219    H    PHE  26           HN       PHE  26  25.253 -14.928   0.080
  220    HA   PHE  26           HA       PHE  26  23.031 -16.717  -0.067
  221    HB2  PHE  26           HB2      PHE  26  23.855 -14.835  -2.266
  222    HB3  PHE  26           HB1      PHE  26  22.231 -15.329  -1.794
  223    HD1  PHE  26           HD2      PHE  26  21.972 -14.951   0.989
  224    HD2  PHE  26           HD1      PHE  26  24.250 -12.588  -1.785
  225    HE1  PHE  26           HE2      PHE  26  21.821 -13.011   2.517
  226    HE2  PHE  26           HE1      PHE  26  24.098 -10.647  -0.253
  227    HZ   PHE  26           HZ       PHE  26  22.888 -10.859   1.899
  228    H    LYS  27           HN       LYS  27  25.515 -15.982  -2.516
  229    HA   LYS  27           HA       LYS  27  24.941 -18.038  -4.265
  230    HB2  LYS  27           HB2      LYS  27  27.762 -17.125  -3.713
  231    HB3  LYS  27           HB1      LYS  27  27.072 -17.674  -5.239
  232    HG2  LYS  27           HG2      LYS  27  26.429 -15.099  -3.772
  233    HG3  LYS  27           HG1      LYS  27  27.234 -15.264  -5.330
  234    HD2  LYS  27           HD2      LYS  27  25.060 -16.519  -6.047
  235    HD3  LYS  27           HD1      LYS  27  24.342 -15.726  -4.643
  236    HE2  LYS  27           HE2      LYS  27  25.618 -13.613  -5.750
  237    HE3  LYS  27           HE1      LYS  27  25.280 -14.551  -7.205
  238    HZ1  LYS  27           HZ1      LYS  27  23.531 -12.886  -6.203
  239    HZ2  LYS  27           HZ2      LYS  27  23.128 -14.235  -5.250
  240    HZ3  LYS  27           HZ3      LYS  27  23.048 -14.334  -6.944
  241    H    TYR  28           HN       TYR  28  25.960 -18.441  -1.087
  242    HA   TYR  28           HA       TYR  28  27.015 -21.145  -1.697
  243    HB2  TYR  28           HB2      TYR  28  28.849 -20.448  -0.595
  244    HB3  TYR  28           HB1      TYR  28  28.022 -19.057   0.098
  245    HD1  TYR  28           HD2      TYR  28  28.152 -22.790   0.362
  246    HD2  TYR  28           HD1      TYR  28  27.473 -19.056   2.373
  247    HE1  TYR  28           HE2      TYR  28  27.932 -23.992   2.520
  248    HE2  TYR  28           HE1      TYR  28  27.252 -20.256   4.531
  249    HH   TYR  28           HH       TYR  28  28.337 -22.998   5.227
  250    H    LEU  29           HN       LEU  29  24.954 -19.213   0.434
  251    HA   LEU  29           HA       LEU  29  23.952 -21.709   1.645
  252    HB2  LEU  29           HB2      LEU  29  24.725 -19.468   2.909
  253    HB3  LEU  29           HB1      LEU  29  23.029 -19.068   2.640
  254    HG   LEU  29           HG       LEU  29  24.054 -21.596   3.965
  255   HD11  LEU  29          HD11      LEU  29  22.795 -19.061   5.036
  256   HD12  LEU  29          HD12      LEU  29  24.352 -19.764   5.476
  257   HD13  LEU  29          HD13      LEU  29  22.855 -20.561   5.961
  258   HD21  LEU  29          HD21      LEU  29  21.342 -20.624   3.116
  259   HD22  LEU  29          HD22      LEU  29  21.480 -21.606   4.574
  260   HD23  LEU  29          HD23      LEU  29  22.022 -22.248   3.024
  261    H    GLN  30           HN       GLN  30  22.882 -18.792  -0.041
  262    HA   GLN  30           HA       GLN  30  20.106 -19.459   0.011
  263    HB2  GLN  30           HB2      GLN  30  20.748 -17.165  -0.334
  264    HB3  GLN  30           HB1      GLN  30  21.694 -17.594  -1.758
  265    HG2  GLN  30           HG2      GLN  30  19.861 -17.819  -3.096
  266    HG3  GLN  30           HG1      GLN  30  18.847 -18.422  -1.786
  267   HE21  GLN  30          HE21      GLN  30  20.589 -15.482  -1.089
  268   HE22  GLN  30          HE22      GLN  30  19.273 -14.427  -1.272
  269    H    LYS  31           HN       LYS  31  22.779 -20.425  -1.966
  270    HA   LYS  31           HA       LYS  31  20.977 -21.563  -3.997
  271    HB2  LYS  31           HB2      LYS  31  23.853 -20.799  -3.924
  272    HB3  LYS  31           HB1      LYS  31  23.400 -22.159  -4.953
  273    HG2  LYS  31           HG2      LYS  31  23.316 -19.957  -6.143
  274    HG3  LYS  31           HG1      LYS  31  21.763 -20.793  -6.122
  275    HD2  LYS  31           HD2      LYS  31  20.822 -19.309  -4.618
  276    HD3  LYS  31           HD1      LYS  31  22.375 -18.901  -3.887
  277    HE2  LYS  31           HE2      LYS  31  23.005 -17.641  -5.910
  278    HE3  LYS  31           HE1      LYS  31  21.464 -18.059  -6.657
  279    HZ1  LYS  31           HZ1      LYS  31  21.880 -16.430  -4.212
  280    HZ2  LYS  31           HZ2      LYS  31  20.359 -16.957  -4.754
  281    HZ3  LYS  31           HZ3      LYS  31  21.281 -15.896  -5.706
  282    H    LYS  32           HN       LYS  32  23.615 -22.485  -1.805
  283    HA   LYS  32           HA       LYS  32  22.985 -25.320  -2.256
  284    HB2  LYS  32           HB2      LYS  32  25.188 -24.567  -0.423
  285    HB3  LYS  32           HB1      LYS  32  25.134 -25.809  -1.670
  286    HG2  LYS  32           HG2      LYS  32  25.387 -22.827  -2.202
  287    HG3  LYS  32           HG1      LYS  32  26.715 -23.981  -2.240
  288    HD2  LYS  32           HD2      LYS  32  25.719 -25.182  -4.087
  289    HD3  LYS  32           HD1      LYS  32  24.247 -24.217  -3.986
  290    HE2  LYS  32           HE2      LYS  32  25.538 -23.292  -5.780
  291    HE3  LYS  32           HE1      LYS  32  25.689 -22.171  -4.427
  292    HZ1  LYS  32           HZ1      LYS  32  27.783 -23.300  -3.840
  293    HZ2  LYS  32           HZ2      LYS  32  27.839 -22.562  -5.370
  294    HZ3  LYS  32           HZ3      LYS  32  27.650 -24.246  -5.242
  Start of MODEL   22
    1    H1   LYS   1           HT1      LYS   1  22.426  16.515   2.518
    2    H2   LYS   1           HT2      LYS   1  23.025  18.101   2.627
    3    H3   LYS   1           HT3      LYS   1  24.026  16.848   2.066
    4    HA   LYS   1           HA       LYS   1  21.625  17.941   0.705
    5    HB2  LYS   1           HB2      LYS   1  23.859  19.223   0.685
    6    HB3  LYS   1           HB1      LYS   1  24.482  17.881  -0.276
    7    HG2  LYS   1           HG2      LYS   1  23.705  19.155  -2.015
    8    HG3  LYS   1           HG1      LYS   1  22.183  18.359  -1.614
    9    HD2  LYS   1           HD2      LYS   1  21.610  20.256  -0.114
   10    HD3  LYS   1           HD1      LYS   1  23.102  21.063  -0.596
   11    HE2  LYS   1           HE2      LYS   1  21.937  21.967  -2.303
   12    HE3  LYS   1           HE1      LYS   1  21.889  20.354  -3.012
   13    HZ1  LYS   1           HZ1      LYS   1  19.921  20.188  -1.223
   14    HZ2  LYS   1           HZ2      LYS   1  19.685  20.646  -2.841
   15    HZ3  LYS   1           HZ3      LYS   1  19.814  21.831  -1.630
   16    H    LYS   2           HN       LYS   2  24.392  15.696   0.475
   17    HA   LYS   2           HA       LYS   2  23.056  14.180  -1.624
   18    HB2  LYS   2           HB2      LYS   2  25.488  14.575  -1.755
   19    HB3  LYS   2           HB1      LYS   2  25.703  13.705  -0.236
   20    HG2  LYS   2           HG2      LYS   2  24.116  12.150  -2.105
   21    HG3  LYS   2           HG1      LYS   2  25.667  12.584  -2.815
   22    HD2  LYS   2           HD2      LYS   2  25.304  11.300  -0.090
   23    HD3  LYS   2           HD1      LYS   2  25.757  10.433  -1.555
   24    HE2  LYS   2           HE2      LYS   2  27.430  11.963   0.250
   25    HE3  LYS   2           HE1      LYS   2  27.907  10.888  -1.060
   26    HZ1  LYS   2           HZ1      LYS   2  28.704  13.076  -1.522
   27    HZ2  LYS   2           HZ2      LYS   2  27.164  13.753  -1.288
   28    HZ3  LYS   2           HZ3      LYS   2  27.453  12.733  -2.615
   29    H    HIS   3           HN       HIS   3  21.453  12.878  -0.955
   30    HA   HIS   3           HA       HIS   3  20.238  11.441   0.398
   31    HB2  HIS   3           HB2      HIS   3  21.906  10.022  -0.879
   32    HB3  HIS   3           HB1      HIS   3  22.898  10.019   0.579
   33    HD2  HIS   3           HD2      HIS   3  22.220   7.154   0.714
   34    HE1  HIS   3           HE1      HIS   3  18.300   7.895   2.095
   35    HE2  HIS   3           HE2      HIS   3  20.075   6.108   1.777
   36    H    THR   4           HN       THR   4  22.334   9.863   2.289
   37    HA   THR   4           HA       THR   4  22.130  11.785   4.531
   38    HB   THR   4           HB       THR   4  20.428  10.154   4.938
   39    HG1  THR   4           HG1      THR   4  21.915   8.812   6.578
   40   HG21  THR   4          HG21      THR   4  20.568   8.158   3.919
   41   HG22  THR   4          HG22      THR   4  21.797   7.690   5.091
   42   HG23  THR   4          HG23      THR   4  22.274   8.416   3.556
   43    H    ILE   5           HN       ILE   5  23.293   8.768   5.415
   44    HA   ILE   5           HA       ILE   5  26.095   9.691   5.185
   45    HB   ILE   5           HB       ILE   5  26.397   8.130   7.219
   46   HG12  ILE   5          HG12      ILE   5  23.633   8.741   8.018
   47   HG13  ILE   5          HG11      ILE   5  23.747   7.557   6.717
   48   HG21  ILE   5          HG21      ILE   5  24.939  10.776   7.268
   49   HG22  ILE   5          HG22      ILE   5  26.658  10.475   7.522
   50   HG23  ILE   5          HG23      ILE   5  25.486   9.982   8.746
   51   HD11  ILE   5          HD11      ILE   5  25.108   6.106   8.014
   52   HD12  ILE   5          HD12      ILE   5  23.828   6.632   9.106
   53   HD13  ILE   5          HD13      ILE   5  25.433   7.357   9.212
   54    H    TRP   6           HN       TRP   6  23.816   7.158   4.590
   55    HA   TRP   6           HA       TRP   6  25.285   4.868   4.391
   56    HB2  TRP   6           HB2      TRP   6  22.900   5.911   3.144
   57    HB3  TRP   6           HB1      TRP   6  23.823   4.955   1.987
   58    HD1  TRP   6           HD1      TRP   6  22.622   2.696   1.985
   59    HE1  TRP   6           HE1      TRP   6  22.012   0.949   3.774
   60    HE3  TRP   6           HE3      TRP   6  23.870   5.288   6.195
   61    HZ2  TRP   6           HZ2      TRP   6  22.048   0.689   6.617
   62    HZ3  TRP   6           HZ3      TRP   6  23.572   4.269   8.435
   63    HH2  TRP   6           HH2      TRP   6  22.663   1.973   8.652
   64    H    GLU   7           HN       GLU   7  24.918   7.159   1.671
   65    HA   GLU   7           HA       GLU   7  26.810   6.018  -0.015
   66    HB2  GLU   7           HB2      GLU   7  25.371   8.525   0.178
   67    HB3  GLU   7           HB1      GLU   7  26.994   8.761  -0.468
   68    HG2  GLU   7           HG2      GLU   7  25.085   6.644  -1.484
   69    HG3  GLU   7           HG1      GLU   7  25.243   8.240  -2.215
   70    H    VAL   8           HN       VAL   8  27.358   7.414   2.990
   71    HA   VAL   8           HA       VAL   8  30.127   8.163   2.324
   72    HB   VAL   8           HB       VAL   8  28.792   8.639   4.980
   73   HG11  VAL   8          HG11      VAL   8  31.318   8.874   4.552
   74   HG12  VAL   8          HG12      VAL   8  30.498  10.263   5.262
   75   HG13  VAL   8          HG13      VAL   8  30.898  10.258   3.546
   76   HG21  VAL   8          HG21      VAL   8  27.353   9.614   3.218
   77   HG22  VAL   8          HG22      VAL   8  28.757  10.425   2.523
   78   HG23  VAL   8          HG23      VAL   8  28.180  10.879   4.126
   79    H    ILE   9           HN       ILE   9  28.206   6.055   4.417
   80    HA   ILE   9           HA       ILE   9  30.682   4.656   5.196
   81    HB   ILE   9           HB       ILE   9  29.801   5.342   7.207
   82   HG12  ILE   9          HG12      ILE   9  29.631   2.661   6.796
   83   HG13  ILE   9          HG11      ILE   9  29.279   3.436   8.326
   84   HG21  ILE   9          HG21      ILE   9  27.305   5.369   7.655
   85   HG22  ILE   9          HG22      ILE   9  27.088   5.052   5.932
   86   HG23  ILE   9          HG23      ILE   9  27.903   6.519   6.469
   87   HD11  ILE   9          HD11      ILE   9  27.520   1.783   7.461
   88   HD12  ILE   9          HD12      ILE   9  27.119   3.000   6.256
   89   HD13  ILE   9          HD13      ILE   9  26.933   3.363   7.967
   90    H    ALA  10           HN       ALA  10  27.290   4.191   4.254
   91    HA   ALA  10           HA       ALA  10  27.530   1.360   3.927
   92    HB1  ALA  10           HB1      ALA  10  25.363   2.533   4.265
   93    HB2  ALA  10           HB2      ALA  10  25.363   1.499   2.837
   94    HB3  ALA  10           HB3      ALA  10  25.530   3.246   2.660
   95    H    GLY  11           HN       GLY  11  26.977   3.846   1.415
   96    HA2  GLY  11           HA2      GLY  11  27.651   2.299  -0.784
   97    HA3  GLY  11           HA1      GLY  11  27.858   4.049  -0.712
   98    H    LEU  12           HN       LEU  12  29.587   3.327   1.780
   99    HA   LEU  12           HA       LEU  12  32.071   3.016   0.250
  100    HB2  LEU  12           HB2      LEU  12  31.677   5.030   1.781
  101    HB3  LEU  12           HB1      LEU  12  31.848   3.900   3.124
  102    HG   LEU  12           HG       LEU  12  34.027   3.196   1.719
  103   HD11  LEU  12          HD11      LEU  12  33.324   5.063   0.044
  104   HD12  LEU  12          HD12      LEU  12  35.013   4.973   0.534
  105   HD13  LEU  12          HD13      LEU  12  33.948   6.174   1.263
  106   HD21  LEU  12          HD21      LEU  12  34.043   3.890   4.060
  107   HD22  LEU  12          HD22      LEU  12  33.776   5.570   3.595
  108   HD23  LEU  12          HD23      LEU  12  35.297   4.774   3.190
  109    H    VAL  13           HN       VAL  13  30.077   1.550   2.698
  110    HA   VAL  13           HA       VAL  13  32.124  -0.554   3.099
  111    HB   VAL  13           HB       VAL  13  29.870   0.267   4.945
  112   HG11  VAL  13          HG11      VAL  13  30.226  -2.088   5.186
  113   HG12  VAL  13          HG12      VAL  13  31.113  -1.322   6.504
  114   HG13  VAL  13          HG13      VAL  13  31.976  -1.900   5.079
  115   HG21  VAL  13          HG21      VAL  13  31.482   1.333   6.260
  116   HG22  VAL  13          HG22      VAL  13  32.070   1.695   4.639
  117   HG23  VAL  13          HG23      VAL  13  32.807   0.394   5.574
  118    H    ALA  14           HN       ALA  14  28.580  -0.090   3.067
  119    HA   ALA  14           HA       ALA  14  27.721  -2.672   2.873
  120    HB1  ALA  14           HB1      ALA  14  25.803  -1.853   1.612
  121    HB2  ALA  14           HB2      ALA  14  26.682  -0.386   1.180
  122    HB3  ALA  14           HB3      ALA  14  26.231  -0.683   2.859
  123    H    LEU  15           HN       LEU  15  28.887  -0.656   0.179
  124    HA   LEU  15           HA       LEU  15  28.597  -2.651  -1.807
  125    HB2  LEU  15           HB2      LEU  15  28.894  -0.225  -2.298
  126    HB3  LEU  15           HB1      LEU  15  30.561  -0.343  -1.740
  127    HG   LEU  15           HG       LEU  15  31.010  -2.054  -3.486
  128   HD11  LEU  15          HD11      LEU  15  28.079  -1.666  -3.940
  129   HD12  LEU  15          HD12      LEU  15  29.049  -3.135  -4.057
  130   HD13  LEU  15          HD13      LEU  15  29.098  -1.941  -5.354
  131   HD21  LEU  15          HD21      LEU  15  30.744  -0.475  -5.457
  132   HD22  LEU  15          HD22      LEU  15  31.550   0.220  -4.050
  133   HD23  LEU  15          HD23      LEU  15  29.859   0.602  -4.378
  134    H    LEU  16           HN       LEU  16  31.088  -1.906   0.527
  135    HA   LEU  16           HA       LEU  16  32.918  -3.880  -0.613
  136    HB2  LEU  16           HB2      LEU  16  33.322  -2.277   1.908
  137    HB3  LEU  16           HB1      LEU  16  34.547  -3.032   0.889
  138    HG   LEU  16           HG       LEU  16  32.776  -0.687   0.151
  139   HD11  LEU  16          HD11      LEU  16  34.765   0.610   0.193
  140   HD12  LEU  16          HD12      LEU  16  35.793  -0.822   0.228
  141   HD13  LEU  16          HD13      LEU  16  34.849  -0.380   1.650
  142   HD21  LEU  16          HD21      LEU  16  34.627  -2.435  -1.465
  143   HD22  LEU  16          HD22      LEU  16  34.342  -0.756  -1.926
  144   HD23  LEU  16          HD23      LEU  16  32.995  -1.893  -1.860
  145    H    THR  17           HN       THR  17  30.259  -4.008   1.270
  146    HA   THR  17           HA       THR  17  31.284  -6.289   2.849
  147    HB   THR  17           HB       THR  17  29.418  -4.079   3.585
  148    HG1  THR  17           HG1      THR  17  31.469  -4.010   4.403
  149   HG21  THR  17          HG21      THR  17  28.731  -5.624   5.537
  150   HG22  THR  17          HG22      THR  17  29.242  -6.948   4.492
  151   HG23  THR  17          HG23      THR  17  27.935  -5.876   3.985
  152    H    PHE  18           HN       PHE  18  28.174  -4.958   1.707
  153    HA   PHE  18           HA       PHE  18  26.605  -7.164   1.686
  154    HB2  PHE  18           HB2      PHE  18  26.218  -4.735   0.728
  155    HB3  PHE  18           HB1      PHE  18  26.603  -5.512  -0.808
  156    HD1  PHE  18           HD1      PHE  18  24.440  -5.885   2.223
  157    HD2  PHE  18           HD2      PHE  18  24.957  -6.744  -1.954
  158    HE1  PHE  18           HE1      PHE  18  22.152  -6.836   2.136
  159    HE2  PHE  18           HE2      PHE  18  22.669  -7.695  -2.041
  160    HZ   PHE  18           HZ       PHE  18  21.266  -7.741   0.003
  161    H    LEU  19           HN       LEU  19  28.814  -6.275  -0.977
  162    HA   LEU  19           HA       LEU  19  28.361  -8.669  -2.457
  163    HB2  LEU  19           HB2      LEU  19  30.431  -6.490  -2.548
  164    HB3  LEU  19           HB1      LEU  19  30.605  -7.926  -3.553
  165    HG   LEU  19           HG       LEU  19  29.417  -5.999  -4.679
  166   HD11  LEU  19          HD11      LEU  19  28.822  -8.740  -4.749
  167   HD12  LEU  19          HD12      LEU  19  28.360  -7.536  -5.949
  168   HD13  LEU  19          HD13      LEU  19  27.253  -7.946  -4.641
  169   HD21  LEU  19          HD21      LEU  19  27.124  -6.711  -2.844
  170   HD22  LEU  19          HD22      LEU  19  27.234  -5.357  -3.968
  171   HD23  LEU  19          HD23      LEU  19  28.219  -5.371  -2.506
  172    H    ALA  20           HN       ALA  20  31.085  -7.607  -0.409
  173    HA   ALA  20           HA       ALA  20  32.746  -9.773  -0.599
  174    HB1  ALA  20           HB1      ALA  20  33.515  -9.257   1.664
  175    HB2  ALA  20           HB2      ALA  20  32.056  -8.315   1.961
  176    HB3  ALA  20           HB3      ALA  20  33.227  -7.768   0.764
  177    H    PHE  21           HN       PHE  21  30.084  -9.461   1.771
  178    HA   PHE  21           HA       PHE  21  30.319 -12.243   2.520
  179    HB2  PHE  21           HB2      PHE  21  28.384 -10.057   3.295
  180    HB3  PHE  21           HB1      PHE  21  28.280 -11.706   3.911
  181    HD1  PHE  21           HD2      PHE  21  30.519  -8.739   3.674
  182    HD2  PHE  21           HD1      PHE  21  29.711 -12.465   5.651
  183    HE1  PHE  21           HE2      PHE  21  32.261  -8.221   5.359
  184    HE2  PHE  21           HE1      PHE  21  31.452 -11.947   7.338
  185    HZ   PHE  21           HZ       PHE  21  32.727  -9.824   7.192
  186    H    GLY  22           HN       GLY  22  28.185 -10.252   0.547
  187    HA2  GLY  22           HA2      GLY  22  26.079 -12.035   0.130
  188    HA3  GLY  22           HA1      GLY  22  26.607 -10.820  -1.031
  189    H    PHE  23           HN       PHE  23  29.138 -11.699  -1.655
  190    HA   PHE  23           HA       PHE  23  28.687 -13.586  -3.643
  191    HB2  PHE  23           HB2      PHE  23  30.982 -12.220  -2.511
  192    HB3  PHE  23           HB1      PHE  23  31.384 -13.878  -2.959
  193    HD1  PHE  23           HD1      PHE  23  30.229 -14.642  -5.283
  194    HD2  PHE  23           HD2      PHE  23  31.222 -10.609  -4.186
  195    HE1  PHE  23           HE1      PHE  23  30.266 -13.998  -7.678
  196    HE2  PHE  23           HE2      PHE  23  31.258  -9.965  -6.577
  197    HZ   PHE  23           HZ       PHE  23  30.778 -11.660  -8.325
  198    H    TRP  24           HN       TRP  24  29.054 -14.011  -0.281
  199    HA   TRP  24           HA       TRP  24  29.623 -16.881  -0.588
  200    HB2  TRP  24           HB2      TRP  24  31.128 -15.843   0.959
  201    HB3  TRP  24           HB1      TRP  24  29.801 -15.032   1.792
  202    HD1  TRP  24           HD1      TRP  24  30.572 -18.697   0.829
  203    HE1  TRP  24           HE1      TRP  24  30.019 -20.194   2.859
  204    HE3  TRP  24           HE3      TRP  24  28.984 -15.150   4.117
  205    HZ2  TRP  24           HZ2      TRP  24  29.031 -19.914   5.524
  206    HZ3  TRP  24           HZ3      TRP  24  28.240 -15.783   6.399
  207    HH2  TRP  24           HH2      TRP  24  28.261 -18.160   7.104
  208    H    LEU  25           HN       LEU  25  27.822 -15.048   1.846
  209    HA   LEU  25           HA       LEU  25  26.036 -16.648   2.860
  210    HB2  LEU  25           HB2      LEU  25  25.719 -13.896   1.828
  211    HB3  LEU  25           HB1      LEU  25  24.228 -14.754   2.218
  212    HG   LEU  25           HG       LEU  25  26.546 -14.777   4.133
  213   HD11  LEU  25          HD11      LEU  25  24.363 -12.675   3.990
  214   HD12  LEU  25          HD12      LEU  25  26.062 -12.404   3.602
  215   HD13  LEU  25          HD13      LEU  25  25.587 -12.808   5.252
  216   HD21  LEU  25          HD21      LEU  25  25.036 -15.670   5.595
  217   HD22  LEU  25          HD22      LEU  25  24.154 -16.092   4.129
  218   HD23  LEU  25          HD23      LEU  25  23.725 -14.636   5.027
  219    H    PHE  26           HN       PHE  26  25.262 -15.237  -0.334
  220    HA   PHE  26           HA       PHE  26  23.087 -17.043  -0.742
  221    HB2  PHE  26           HB2      PHE  26  24.522 -15.571  -2.939
  222    HB3  PHE  26           HB1      PHE  26  22.814 -15.989  -2.832
  223    HD1  PHE  26           HD1      PHE  26  21.862 -15.128  -0.318
  224    HD2  PHE  26           HD2      PHE  26  24.861 -13.271  -2.772
  225    HE1  PHE  26           HE1      PHE  26  21.394 -12.949   0.761
  226    HE2  PHE  26           HE2      PHE  26  24.387 -11.091  -1.693
  227    HZ   PHE  26           HZ       PHE  26  22.659 -10.930   0.075
  228    H    LYS  27           HN       LYS  27  26.148 -16.735  -2.544
  229    HA   LYS  27           HA       LYS  27  25.958 -19.077  -3.995
  230    HB2  LYS  27           HB2      LYS  27  28.579 -18.051  -2.910
  231    HB3  LYS  27           HB1      LYS  27  28.277 -18.872  -4.440
  232    HG2  LYS  27           HG2      LYS  27  27.378 -16.083  -3.663
  233    HG3  LYS  27           HG1      LYS  27  28.545 -16.515  -4.909
  234    HD2  LYS  27           HD2      LYS  27  26.580 -17.900  -5.924
  235    HD3  LYS  27           HD1      LYS  27  25.560 -16.872  -4.916
  236    HE2  LYS  27           HE2      LYS  27  27.153 -14.983  -6.014
  237    HE3  LYS  27           HE1      LYS  27  27.165 -16.172  -7.315
  238    HZ1  LYS  27           HZ1      LYS  27  24.548 -15.912  -6.320
  239    HZ2  LYS  27           HZ2      LYS  27  25.130 -15.562  -7.877
  240    HZ3  LYS  27           HZ3      LYS  27  25.149 -14.366  -6.673
  241    H    TYR  28           HN       TYR  28  26.079 -18.907  -0.653
  242    HA   TYR  28           HA       TYR  28  27.167 -21.661  -0.482
  243    HB2  TYR  28           HB2      TYR  28  28.689 -20.762   0.914
  244    HB3  TYR  28           HB1      TYR  28  27.766 -19.277   1.116
  245    HD1  TYR  28           HD2      TYR  28  27.678 -22.901   2.053
  246    HD2  TYR  28           HD1      TYR  28  26.662 -18.873   3.139
  247    HE1  TYR  28           HE2      TYR  28  26.875 -23.699   4.262
  248    HE2  TYR  28           HE1      TYR  28  25.857 -19.668   5.345
  249    HH   TYR  28           HH       TYR  28  26.593 -22.106   6.798
  250    H    LEU  29           HN       LEU  29  24.707 -19.395   0.665
  251    HA   LEU  29           HA       LEU  29  23.332 -21.636   2.000
  252    HB2  LEU  29           HB2      LEU  29  23.848 -19.200   3.007
  253    HB3  LEU  29           HB1      LEU  29  22.298 -18.861   2.240
  254    HG   LEU  29           HG       LEU  29  22.834 -21.106   4.207
  255   HD11  LEU  29          HD11      LEU  29  21.466 -18.420   4.456
  256   HD12  LEU  29          HD12      LEU  29  22.823 -19.033   5.401
  257   HD13  LEU  29          HD13      LEU  29  21.216 -19.728   5.612
  258   HD21  LEU  29          HD21      LEU  29  20.191 -21.003   4.122
  259   HD22  LEU  29          HD22      LEU  29  21.081 -21.921   2.906
  260   HD23  LEU  29          HD23      LEU  29  20.477 -20.308   2.527
  261    H    GLN  30           HN       GLN  30  22.850 -19.078  -0.395
  262    HA   GLN  30           HA       GLN  30  20.126 -19.739  -0.946
  263    HB2  GLN  30           HB2      GLN  30  20.931 -17.544  -1.511
  264    HB3  GLN  30           HB1      GLN  30  22.192 -18.217  -2.541
  265    HG2  GLN  30           HG2      GLN  30  20.759 -18.675  -4.253
  266    HG3  GLN  30           HG1      GLN  30  19.421 -19.057  -3.172
  267   HE21  GLN  30          HE21      GLN  30  21.043 -16.023  -2.570
  268   HE22  GLN  30          HE22      GLN  30  19.850 -15.027  -3.248
  269    H    LYS  31           HN       LYS  31  23.173 -21.030  -1.968
  270    HA   LYS  31           HA       LYS  31  21.902 -22.529  -4.158
  271    HB2  LYS  31           HB2      LYS  31  24.695 -21.756  -3.474
  272    HB3  LYS  31           HB1      LYS  31  24.460 -23.279  -4.332
  273    HG2  LYS  31           HG2      LYS  31  24.781 -21.326  -5.868
  274    HG3  LYS  31           HG1      LYS  31  23.238 -22.150  -6.105
  275    HD2  LYS  31           HD2      LYS  31  22.014 -20.419  -5.176
  276    HD3  LYS  31           HD1      LYS  31  23.349 -19.882  -4.156
  277    HE2  LYS  31           HE2      LYS  31  24.524 -19.008  -6.136
  278    HE3  LYS  31           HE1      LYS  31  23.205 -19.561  -7.170
  279    HZ1  LYS  31           HZ1      LYS  31  22.568 -17.827  -4.895
  280    HZ2  LYS  31           HZ2      LYS  31  21.800 -17.959  -6.404
  281    HZ3  LYS  31           HZ3      LYS  31  23.274 -17.124  -6.267
  282    H    LYS  32           HN       LYS  32  23.843 -23.027  -1.225
  283    HA   LYS  32           HA       LYS  32  23.229 -25.897  -1.318
  284    HB2  LYS  32           HB2      LYS  32  24.914 -24.810   0.864
  285    HB3  LYS  32           HB1      LYS  32  25.127 -26.262  -0.108
  286    HG2  LYS  32           HG2      LYS  32  25.645 -23.430  -1.081
  287    HG3  LYS  32           HG1      LYS  32  26.883 -24.568  -0.565
  288    HD2  LYS  32           HD2      LYS  32  26.342 -26.091  -2.362
  289    HD3  LYS  32           HD1      LYS  32  24.939 -25.128  -2.822
  290    HE2  LYS  32           HE2      LYS  32  26.692 -24.550  -4.352
  291    HE3  LYS  32           HE1      LYS  32  26.532 -23.195  -3.235
  292    HZ1  LYS  32           HZ1      LYS  32  28.330 -25.164  -2.239
  293    HZ2  LYS  32           HZ2      LYS  32  28.588 -23.505  -2.506
  294    HZ3  LYS  32           HZ3      LYS  32  28.817 -24.618  -3.769
  Start of MODEL   23
    1    H1   LYS   1           HT1      LYS   1  19.537  17.655  -0.284
    2    H2   LYS   1           HT2      LYS   1  20.555  16.402   0.243
    3    H3   LYS   1           HT3      LYS   1  19.051  16.040  -0.459
    4    HA   LYS   1           HA       LYS   1  19.826  17.056  -2.558
    5    HB2  LYS   1           HB2      LYS   1  22.458  17.116  -2.577
    6    HB3  LYS   1           HB1      LYS   1  21.558  18.507  -1.970
    7    HG2  LYS   1           HG2      LYS   1  22.004  17.982   0.272
    8    HG3  LYS   1           HG1      LYS   1  22.369  16.296  -0.097
    9    HD2  LYS   1           HD2      LYS   1  24.418  17.622   0.411
   10    HD3  LYS   1           HD1      LYS   1  24.436  16.951  -1.220
   11    HE2  LYS   1           HE2      LYS   1  25.122  19.406  -1.015
   12    HE3  LYS   1           HE1      LYS   1  23.862  19.053  -2.196
   13    HZ1  LYS   1           HZ1      LYS   1  23.237  20.942  -0.867
   14    HZ2  LYS   1           HZ2      LYS   1  23.450  20.057   0.568
   15    HZ3  LYS   1           HZ3      LYS   1  22.205  19.644  -0.513
   16    H    LYS   2           HN       LYS   2  22.730  15.442  -1.655
   17    HA   LYS   2           HA       LYS   2  22.363  13.268  -3.372
   18    HB2  LYS   2           HB2      LYS   2  24.576  13.853  -2.624
   19    HB3  LYS   2           HB1      LYS   2  24.136  13.568  -0.939
   20    HG2  LYS   2           HG2      LYS   2  23.968  11.225  -1.262
   21    HG3  LYS   2           HG1      LYS   2  23.921  11.389  -3.019
   22    HD2  LYS   2           HD2      LYS   2  26.142  10.603  -2.147
   23    HD3  LYS   2           HD1      LYS   2  26.239  12.103  -3.070
   24    HE2  LYS   2           HE2      LYS   2  25.856  12.213  -0.092
   25    HE3  LYS   2           HE1      LYS   2  27.467  11.940  -0.756
   26    HZ1  LYS   2           HZ1      LYS   2  27.519  14.163  -0.862
   27    HZ2  LYS   2           HZ2      LYS   2  25.829  14.324  -0.797
   28    HZ3  LYS   2           HZ3      LYS   2  26.596  13.965  -2.271
   29    H    HIS   3           HN       HIS   3  22.749  12.728   0.106
   30    HA   HIS   3           HA       HIS   3  20.203  11.409   0.386
   31    HB2  HIS   3           HB2      HIS   3  21.585   9.709  -0.843
   32    HB3  HIS   3           HB1      HIS   3  22.687   9.690   0.533
   33    HD2  HIS   3           HD2      HIS   3  21.691   6.923   0.887
   34    HE1  HIS   3           HE1      HIS   3  18.049   8.218   2.583
   35    HE2  HIS   3           HE2      HIS   3  19.554   6.208   2.208
   36    H    THR   4           HN       THR   4  22.114   9.663   2.311
   37    HA   THR   4           HA       THR   4  22.089  11.667   4.493
   38    HB   THR   4           HB       THR   4  20.403  10.006   4.948
   39    HG1  THR   4           HG1      THR   4  22.059  10.607   6.591
   40   HG21  THR   4          HG21      THR   4  22.239   8.281   3.585
   41   HG22  THR   4          HG22      THR   4  20.586   7.939   4.093
   42   HG23  THR   4          HG23      THR   4  21.927   7.609   5.185
   43    H    ILE   5           HN       ILE   5  23.293   8.782   5.557
   44    HA   ILE   5           HA       ILE   5  26.078   9.686   5.167
   45    HB   ILE   5           HB       ILE   5  26.451   8.151   7.209
   46   HG12  ILE   5          HG12      ILE   5  23.690   8.757   8.048
   47   HG13  ILE   5          HG11      ILE   5  23.811   7.527   6.790
   48   HG21  ILE   5          HG21      ILE   5  25.325  10.070   8.677
   49   HG22  ILE   5          HG22      ILE   5  25.163  10.845   7.100
   50   HG23  ILE   5          HG23      ILE   5  26.757  10.388   7.698
   51   HD11  ILE   5          HD11      ILE   5  25.190   6.139   8.121
   52   HD12  ILE   5          HD12      ILE   5  23.943   6.713   9.227
   53   HD13  ILE   5          HD13      ILE   5  25.548   7.441   9.252
   54    H    TRP   6           HN       TRP   6  23.816   7.142   4.614
   55    HA   TRP   6           HA       TRP   6  25.296   4.856   4.421
   56    HB2  TRP   6           HB2      TRP   6  22.882   5.865   3.217
   57    HB3  TRP   6           HB1      TRP   6  23.792   4.922   2.038
   58    HD1  TRP   6           HD1      TRP   6  22.633   2.643   2.058
   59    HE1  TRP   6           HE1      TRP   6  22.076   0.889   3.857
   60    HE3  TRP   6           HE3      TRP   6  23.902   5.259   6.246
   61    HZ2  TRP   6           HZ2      TRP   6  22.158   0.633   6.698
   62    HZ3  TRP   6           HZ3      TRP   6  23.652   4.239   8.492
   63    HH2  TRP   6           HH2      TRP   6  22.782   1.928   8.724
   64    H    GLU   7           HN       GLU   7  24.913   7.182   1.737
   65    HA   GLU   7           HA       GLU   7  26.777   6.009   0.016
   66    HB2  GLU   7           HB2      GLU   7  25.307   8.500   0.195
   67    HB3  GLU   7           HB1      GLU   7  26.920   8.748  -0.476
   68    HG2  GLU   7           HG2      GLU   7  25.012   6.603  -1.439
   69    HG3  GLU   7           HG1      GLU   7  25.163   8.187  -2.197
   70    H    VAL   8           HN       VAL   8  27.360   7.367   3.006
   71    HA   VAL   8           HA       VAL   8  30.106   8.174   2.301
   72    HB   VAL   8           HB       VAL   8  28.781   8.651   4.962
   73   HG11  VAL   8          HG11      VAL   8  31.332   8.906   4.390
   74   HG12  VAL   8          HG12      VAL   8  30.517  10.172   5.308
   75   HG13  VAL   8          HG13      VAL   8  30.808  10.383   3.582
   76   HG21  VAL   8          HG21      VAL   8  28.731  10.428   2.500
   77   HG22  VAL   8          HG22      VAL   8  28.150  10.883   4.102
   78   HG23  VAL   8          HG23      VAL   8  27.334   9.609   3.197
   79    H    ILE   9           HN       ILE   9  28.220   6.040   4.392
   80    HA   ILE   9           HA       ILE   9  30.715   4.671   5.166
   81    HB   ILE   9           HB       ILE   9  29.851   5.351   7.184
   82   HG12  ILE   9          HG12      ILE   9  29.677   2.670   6.780
   83   HG13  ILE   9          HG11      ILE   9  29.332   3.448   8.313
   84   HG21  ILE   9          HG21      ILE   9  27.358   5.379   7.655
   85   HG22  ILE   9          HG22      ILE   9  27.128   5.064   5.933
   86   HG23  ILE   9          HG23      ILE   9  27.950   6.530   6.464
   87   HD11  ILE   9          HD11      ILE   9  27.161   3.010   6.257
   88   HD12  ILE   9          HD12      ILE   9  26.986   3.375   7.967
   89   HD13  ILE   9          HD13      ILE   9  27.572   1.794   7.458
   90    H    ALA  10           HN       ALA  10  27.321   4.185   4.251
   91    HA   ALA  10           HA       ALA  10  27.576   1.353   3.930
   92    HB1  ALA  10           HB1      ALA  10  25.546   3.214   2.676
   93    HB2  ALA  10           HB2      ALA  10  25.405   2.523   4.292
   94    HB3  ALA  10           HB3      ALA  10  25.393   1.469   2.879
   95    H    GLY  11           HN       GLY  11  26.975   3.837   1.426
   96    HA2  GLY  11           HA2      GLY  11  27.628   2.296  -0.784
   97    HA3  GLY  11           HA1      GLY  11  27.828   4.047  -0.711
   98    H    LEU  12           HN       LEU  12  29.593   3.330   1.757
   99    HA   LEU  12           HA       LEU  12  32.058   3.029   0.193
  100    HB2  LEU  12           HB2      LEU  12  31.683   5.046   1.719
  101    HB3  LEU  12           HB1      LEU  12  31.861   3.923   3.067
  102    HG   LEU  12           HG       LEU  12  34.022   3.225   1.586
  103   HD11  LEU  12          HD11      LEU  12  33.659   6.213   1.196
  104   HD12  LEU  12          HD12      LEU  12  33.551   5.002  -0.081
  105   HD13  LEU  12          HD13      LEU  12  35.084   5.276   0.745
  106   HD21  LEU  12          HD21      LEU  12  33.811   5.481   3.606
  107   HD22  LEU  12          HD22      LEU  12  35.319   4.696   3.141
  108   HD23  LEU  12          HD23      LEU  12  34.063   3.773   3.966
  109    H    VAL  13           HN       VAL  13  30.108   1.564   2.680
  110    HA   VAL  13           HA       VAL  13  32.168  -0.532   3.050
  111    HB   VAL  13           HB       VAL  13  29.938   0.273   4.933
  112   HG11  VAL  13          HG11      VAL  13  31.794  -1.299   6.276
  113   HG12  VAL  13          HG12      VAL  13  31.635  -2.098   4.712
  114   HG13  VAL  13          HG13      VAL  13  30.209  -1.828   5.715
  115   HG21  VAL  13          HG21      VAL  13  32.875   0.443   5.531
  116   HG22  VAL  13          HG22      VAL  13  31.547   1.380   6.209
  117   HG23  VAL  13          HG23      VAL  13  32.124   1.725   4.580
  118    H    ALA  14           HN       ALA  14  28.623  -0.081   3.076
  119    HA   ALA  14           HA       ALA  14  27.773  -2.669   2.902
  120    HB1  ALA  14           HB1      ALA  14  25.872  -1.823   1.522
  121    HB2  ALA  14           HB2      ALA  14  26.727  -0.290   1.348
  122    HB3  ALA  14           HB3      ALA  14  26.193  -0.825   2.940
  123    H    LEU  15           HN       LEU  15  28.884  -0.650   0.185
  124    HA   LEU  15           HA       LEU  15  28.567  -2.653  -1.790
  125    HB2  LEU  15           HB2      LEU  15  28.836  -0.232  -2.302
  126    HB3  LEU  15           HB1      LEU  15  30.511  -0.326  -1.763
  127    HG   LEU  15           HG       LEU  15  30.965  -2.034  -3.507
  128   HD11  LEU  15          HD11      LEU  15  29.017  -3.159  -4.037
  129   HD12  LEU  15          HD12      LEU  15  29.023  -1.976  -5.345
  130   HD13  LEU  15          HD13      LEU  15  28.022  -1.708  -3.919
  131   HD21  LEU  15          HD21      LEU  15  30.989  -0.508  -5.368
  132   HD22  LEU  15          HD22      LEU  15  31.210   0.458  -3.909
  133   HD23  LEU  15          HD23      LEU  15  29.636   0.410  -4.705
  134    H    LEU  16           HN       LEU  16  31.086  -1.898   0.505
  135    HA   LEU  16           HA       LEU  16  32.906  -3.868  -0.664
  136    HB2  LEU  16           HB2      LEU  16  33.362  -2.243   1.834
  137    HB3  LEU  16           HB1      LEU  16  34.565  -2.998   0.788
  138    HG   LEU  16           HG       LEU  16  32.762  -0.667   0.084
  139   HD11  LEU  16          HD11      LEU  16  34.876  -0.344   1.524
  140   HD12  LEU  16          HD12      LEU  16  34.739   0.643   0.069
  141   HD13  LEU  16          HD13      LEU  16  35.779  -0.780   0.074
  142   HD21  LEU  16          HD21      LEU  16  34.270  -0.740  -2.035
  143   HD22  LEU  16          HD22      LEU  16  32.935  -1.888  -1.926
  144   HD23  LEU  16          HD23      LEU  16  34.581  -2.413  -1.571
  145    H    THR  17           HN       THR  17  30.280  -4.013   1.239
  146    HA   THR  17           HA       THR  17  31.344  -6.269   2.829
  147    HB   THR  17           HB       THR  17  29.505  -4.046   3.590
  148    HG1  THR  17           HG1      THR  17  30.848  -3.960   5.256
  149   HG21  THR  17          HG21      THR  17  28.836  -5.571   5.561
  150   HG22  THR  17          HG22      THR  17  29.317  -6.909   4.520
  151   HG23  THR  17          HG23      THR  17  28.014  -5.829   4.023
  152    H    PHE  18           HN       PHE  18  28.216  -4.939   1.739
  153    HA   PHE  18           HA       PHE  18  26.643  -7.148   1.766
  154    HB2  PHE  18           HB2      PHE  18  26.235  -4.721   0.809
  155    HB3  PHE  18           HB1      PHE  18  26.587  -5.501  -0.733
  156    HD1  PHE  18           HD2      PHE  18  24.490  -5.867   2.344
  157    HD2  PHE  18           HD1      PHE  18  24.920  -6.736  -1.840
  158    HE1  PHE  18           HE2      PHE  18  22.201  -6.822   2.308
  159    HE2  PHE  18           HE1      PHE  18  22.631  -7.691  -1.878
  160    HZ   PHE  18           HZ       PHE  18  21.272  -7.734   0.197
  161    H    LEU  19           HN       LEU  19  28.833  -6.279  -0.916
  162    HA   LEU  19           HA       LEU  19  28.332  -8.681  -2.383
  163    HB2  LEU  19           HB2      LEU  19  30.374  -6.481  -2.548
  164    HB3  LEU  19           HB1      LEU  19  30.555  -7.932  -3.531
  165    HG   LEU  19           HG       LEU  19  29.317  -6.045  -4.672
  166   HD11  LEU  19          HD11      LEU  19  27.184  -8.021  -4.561
  167   HD12  LEU  19          HD12      LEU  19  28.762  -8.796  -4.679
  168   HD13  LEU  19          HD13      LEU  19  28.265  -7.622  -5.894
  169   HD21  LEU  19          HD21      LEU  19  28.146  -5.401  -2.484
  170   HD22  LEU  19          HD22      LEU  19  27.060  -6.755  -2.792
  171   HD23  LEU  19          HD23      LEU  19  27.144  -5.414  -3.934
  172    H    ALA  20           HN       ALA  20  31.088  -7.590  -0.396
  173    HA   ALA  20           HA       ALA  20  32.770  -9.737  -0.615
  174    HB1  ALA  20           HB1      ALA  20  33.598  -9.196   1.609
  175    HB2  ALA  20           HB2      ALA  20  32.119  -8.308   1.971
  176    HB3  ALA  20           HB3      ALA  20  33.228  -7.706   0.740
  177    H    PHE  21           HN       PHE  21  30.137  -9.450   1.788
  178    HA   PHE  21           HA       PHE  21  30.422 -12.230   2.543
  179    HB2  PHE  21           HB2      PHE  21  28.489 -10.060   3.367
  180    HB3  PHE  21           HB1      PHE  21  28.424 -11.708   3.992
  181    HD1  PHE  21           HD1      PHE  21  30.593  -8.697   3.701
  182    HD2  PHE  21           HD2      PHE  21  29.938 -12.458   5.669
  183    HE1  PHE  21           HE1      PHE  21  32.375  -8.151   5.336
  184    HE2  PHE  21           HE2      PHE  21  31.719 -11.912   7.305
  185    HZ   PHE  21           HZ       PHE  21  32.937  -9.759   7.138
  186    H    GLY  22           HN       GLY  22  28.237 -10.258   0.603
  187    HA2  GLY  22           HA2      GLY  22  26.130 -12.061   0.258
  188    HA3  GLY  22           HA1      GLY  22  26.610 -10.844  -0.920
  189    H    PHE  23           HN       PHE  23  29.115 -11.681  -1.644
  190    HA   PHE  23           HA       PHE  23  28.642 -13.576  -3.608
  191    HB2  PHE  23           HB2      PHE  23  30.965 -12.219  -2.504
  192    HB3  PHE  23           HB1      PHE  23  31.350 -13.869  -2.997
  193    HD1  PHE  23           HD2      PHE  23  30.149 -14.583  -5.311
  194    HD2  PHE  23           HD1      PHE  23  31.147 -10.570  -4.147
  195    HE1  PHE  23           HE2      PHE  23  30.126 -13.886  -7.690
  196    HE2  PHE  23           HE1      PHE  23  31.124  -9.874  -6.525
  197    HZ   PHE  23           HZ       PHE  23  30.613 -11.532  -8.299
  198    H    TRP  24           HN       TRP  24  29.025 -14.019  -0.259
  199    HA   TRP  24           HA       TRP  24  29.592 -16.889  -0.588
  200    HB2  TRP  24           HB2      TRP  24  31.146 -15.882   0.925
  201    HB3  TRP  24           HB1      TRP  24  29.850 -15.060   1.796
  202    HD1  TRP  24           HD1      TRP  24  30.528 -18.729   0.780
  203    HE1  TRP  24           HE1      TRP  24  30.006 -20.234   2.812
  204    HE3  TRP  24           HE3      TRP  24  29.110 -15.182   4.147
  205    HZ2  TRP  24           HZ2      TRP  24  29.104 -19.959   5.508
  206    HZ3  TRP  24           HZ3      TRP  24  28.420 -15.824   6.442
  207    HH2  TRP  24           HH2      TRP  24  28.416 -18.206   7.125
  208    H    LEU  25           HN       LEU  25  27.852 -15.034   1.874
  209    HA   LEU  25           HA       LEU  25  26.088 -16.633   2.930
  210    HB2  LEU  25           HB2      LEU  25  25.778 -13.881   1.926
  211    HB3  LEU  25           HB1      LEU  25  24.270 -14.729   2.279
  212    HG   LEU  25           HG       LEU  25  26.582 -14.756   4.207
  213   HD11  LEU  25          HD11      LEU  25  24.788 -12.958   5.266
  214   HD12  LEU  25          HD12      LEU  25  24.747 -12.545   3.551
  215   HD13  LEU  25          HD13      LEU  25  26.274 -12.514   4.431
  216   HD21  LEU  25          HD21      LEU  25  25.146 -15.853   5.578
  217   HD22  LEU  25          HD22      LEU  25  24.163 -16.115   4.138
  218   HD23  LEU  25          HD23      LEU  25  23.821 -14.753   5.203
  219    H    PHE  26           HN       PHE  26  25.269 -15.238  -0.254
  220    HA   PHE  26           HA       PHE  26  23.099 -17.061  -0.618
  221    HB2  PHE  26           HB2      PHE  26  24.466 -15.545  -2.829
  222    HB3  PHE  26           HB1      PHE  26  22.768 -16.003  -2.698
  223    HD1  PHE  26           HD1      PHE  26  21.757 -15.191  -0.250
  224    HD2  PHE  26           HD2      PHE  26  24.841 -13.261  -2.534
  225    HE1  PHE  26           HE1      PHE  26  21.252 -13.047   0.881
  226    HE2  PHE  26           HE2      PHE  26  24.336 -11.115  -1.400
  227    HZ   PHE  26           HZ       PHE  26  22.545 -11.011   0.309
  228    H    LYS  27           HN       LYS  27  26.068 -16.693  -2.557
  229    HA   LYS  27           HA       LYS  27  25.905 -19.003  -4.010
  230    HB2  LYS  27           HB2      LYS  27  28.521 -18.020  -2.868
  231    HB3  LYS  27           HB1      LYS  27  28.242 -18.821  -4.414
  232    HG2  LYS  27           HG2      LYS  27  27.362 -16.034  -3.612
  233    HG3  LYS  27           HG1      LYS  27  28.510 -16.470  -4.878
  234    HD2  LYS  27           HD2      LYS  27  26.545 -17.795  -5.917
  235    HD3  LYS  27           HD1      LYS  27  25.519 -16.850  -4.838
  236    HE2  LYS  27           HE2      LYS  27  26.882 -14.815  -5.820
  237    HE3  LYS  27           HE1      LYS  27  27.183 -15.929  -7.155
  238    HZ1  LYS  27           HZ1      LYS  27  24.848 -14.474  -6.586
  239    HZ2  LYS  27           HZ2      LYS  27  24.491 -16.131  -6.477
  240    HZ3  LYS  27           HZ3      LYS  27  25.161 -15.496  -7.903
  241    H    TYR  28           HN       TYR  28  26.153 -18.861  -0.640
  242    HA   TYR  28           HA       TYR  28  27.145 -21.649  -0.533
  243    HB2  TYR  28           HB2      TYR  28  28.598 -20.829   0.974
  244    HB3  TYR  28           HB1      TYR  28  27.710 -19.319   1.139
  245    HD1  TYR  28           HD1      TYR  28  27.361 -22.951   2.002
  246    HD2  TYR  28           HD2      TYR  28  26.629 -18.881   3.155
  247    HE1  TYR  28           HE1      TYR  28  26.425 -23.731   4.163
  248    HE2  TYR  28           HE2      TYR  28  25.690 -19.657   5.313
  249    HH   TYR  28           HH       TYR  28  25.988 -22.938   6.369
  250    H    LEU  29           HN       LEU  29  24.718 -19.400   0.784
  251    HA   LEU  29           HA       LEU  29  23.266 -21.689   1.913
  252    HB2  LEU  29           HB2      LEU  29  23.726 -19.266   2.986
  253    HB3  LEU  29           HB1      LEU  29  22.189 -18.938   2.185
  254    HG   LEU  29           HG       LEU  29  22.722 -21.204   4.128
  255   HD11  LEU  29          HD11      LEU  29  21.277 -18.557   4.360
  256   HD12  LEU  29          HD12      LEU  29  22.597 -19.164   5.362
  257   HD13  LEU  29          HD13      LEU  29  20.995 -19.891   5.480
  258   HD21  LEU  29          HD21      LEU  29  21.049 -22.045   2.733
  259   HD22  LEU  29          HD22      LEU  29  20.393 -20.444   2.389
  260   HD23  LEU  29          HD23      LEU  29  20.091 -21.204   3.952
  261    H    GLN  30           HN       GLN  30  22.823 -19.059  -0.417
  262    HA   GLN  30           HA       GLN  30  20.127 -19.632  -1.063
  263    HB2  GLN  30           HB2      GLN  30  21.086 -17.508  -1.655
  264    HB3  GLN  30           HB1      GLN  30  22.304 -18.286  -2.657
  265    HG2  GLN  30           HG2      GLN  30  20.705 -18.981  -4.261
  266    HG3  GLN  30           HG1      GLN  30  19.355 -18.619  -3.182
  267   HE21  GLN  30          HE21      GLN  30  20.315 -16.007  -2.284
  268   HE22  GLN  30          HE22      GLN  30  20.228 -14.959  -3.614
  269    H    LYS  31           HN       LYS  31  23.031 -21.273  -1.837
  270    HA   LYS  31           HA       LYS  31  21.889 -22.543  -4.212
  271    HB2  LYS  31           HB2      LYS  31  24.569 -22.181  -3.091
  272    HB3  LYS  31           HB1      LYS  31  24.283 -23.818  -3.680
  273    HG2  LYS  31           HG2      LYS  31  25.166 -22.445  -5.496
  274    HG3  LYS  31           HG1      LYS  31  23.490 -22.859  -5.847
  275    HD2  LYS  31           HD2      LYS  31  23.431 -20.468  -4.316
  276    HD3  LYS  31           HD1      LYS  31  24.672 -20.253  -5.551
  277    HE2  LYS  31           HE2      LYS  31  23.017 -21.049  -7.265
  278    HE3  LYS  31           HE1      LYS  31  21.783 -21.050  -6.005
  279    HZ1  LYS  31           HZ1      LYS  31  23.367 -18.708  -6.910
  280    HZ2  LYS  31           HZ2      LYS  31  22.247 -18.692  -5.632
  281    HZ3  LYS  31           HZ3      LYS  31  21.724 -18.988  -7.222
  282    H    LYS  32           HN       LYS  32  21.473 -22.937  -1.021
  283    HA   LYS  32           HA       LYS  32  21.684 -25.849  -0.946
  284    HB2  LYS  32           HB2      LYS  32  20.656 -23.925   1.153
  285    HB3  LYS  32           HB1      LYS  32  21.022 -25.630   1.398
  286    HG2  LYS  32           HG2      LYS  32  23.063 -23.590   0.464
  287    HG3  LYS  32           HG1      LYS  32  22.845 -24.045   2.151
  288    HD2  LYS  32           HD2      LYS  32  24.313 -25.715   1.778
  289    HD3  LYS  32           HD1      LYS  32  23.065 -26.496   0.811
  290    HE2  LYS  32           HE2      LYS  32  23.885 -25.069  -1.147
  291    HE3  LYS  32           HE1      LYS  32  25.276 -24.669  -0.142
  292    HZ1  LYS  32           HZ1      LYS  32  26.039 -26.815  -0.176
  293    HZ2  LYS  32           HZ2      LYS  32  25.362 -26.699  -1.731
  294    HZ3  LYS  32           HZ3      LYS  32  24.511 -27.483  -0.486
  Start of MODEL   24
    1    H1   LYS   1           HT1      LYS   1  21.884  15.312  -1.225
    2    H2   LYS   1           HT2      LYS   1  20.530  16.282  -1.559
    3    H3   LYS   1           HT3      LYS   1  22.053  16.997  -1.330
    4    HA   LYS   1           HA       LYS   1  20.897  16.108  -3.716
    5    HB2  LYS   1           HB2      LYS   1  22.377  18.126  -3.201
    6    HB3  LYS   1           HB1      LYS   1  23.745  17.013  -3.251
    7    HG2  LYS   1           HG2      LYS   1  23.780  17.389  -5.480
    8    HG3  LYS   1           HG1      LYS   1  22.334  16.379  -5.554
    9    HD2  LYS   1           HD2      LYS   1  20.961  18.450  -5.127
   10    HD3  LYS   1           HD1      LYS   1  22.441  19.396  -5.304
   11    HE2  LYS   1           HE2      LYS   1  22.535  17.812  -7.540
   12    HE3  LYS   1           HE1      LYS   1  20.799  18.070  -7.364
   13    HZ1  LYS   1           HZ1      LYS   1  21.240  19.980  -8.420
   14    HZ2  LYS   1           HZ2      LYS   1  22.893  19.952  -8.032
   15    HZ3  LYS   1           HZ3      LYS   1  21.762  20.524  -6.901
   16    H    LYS   2           HN       LYS   2  21.333  13.803  -2.100
   17    HA   LYS   2           HA       LYS   2  22.562  12.078  -3.983
   18    HB2  LYS   2           HB2      LYS   2  24.671  12.919  -3.204
   19    HB3  LYS   2           HB1      LYS   2  24.176  12.759  -1.518
   20    HG2  LYS   2           HG2      LYS   2  24.242  10.392  -1.602
   21    HG3  LYS   2           HG1      LYS   2  24.257  10.374  -3.366
   22    HD2  LYS   2           HD2      LYS   2  26.500   9.883  -2.450
   23    HD3  LYS   2           HD1      LYS   2  26.501  11.390  -3.367
   24    HE2  LYS   2           HE2      LYS   2  25.932  11.528  -0.433
   25    HE3  LYS   2           HE1      LYS   2  27.598  11.261  -0.946
   26    HZ1  LYS   2           HZ1      LYS   2  27.408  13.221  -2.375
   27    HZ2  LYS   2           HZ2      LYS   2  27.159  13.607  -0.739
   28    HZ3  LYS   2           HZ3      LYS   2  25.836  13.493  -1.800
   29    H    HIS   3           HN       HIS   3  22.775  11.885  -0.446
   30    HA   HIS   3           HA       HIS   3  20.368  10.415  -0.084
   31    HB2  HIS   3           HB2      HIS   3  21.850   8.771  -1.368
   32    HB3  HIS   3           HB1      HIS   3  22.853   8.712   0.081
   33    HD2  HIS   3           HD2      HIS   3  21.969   6.040   0.650
   34    HE1  HIS   3           HE1      HIS   3  17.981   7.131   1.503
   35    HE2  HIS   3           HE2      HIS   3  19.679   5.248   1.625
   36    H    THR   4           HN       THR   4  20.839   8.943   2.106
   37    HA   THR   4           HA       THR   4  21.275  10.888   4.131
   38    HB   THR   4           HB       THR   4  19.779   9.111   4.646
   39    HG1  THR   4           HG1      THR   4  20.599   8.559   6.551
   40   HG21  THR   4          HG21      THR   4  21.795   7.524   3.267
   41   HG22  THR   4          HG22      THR   4  20.090   7.168   3.547
   42   HG23  THR   4          HG23      THR   4  21.287   6.766   4.777
   43    H    ILE   5           HN       ILE   5  22.793   8.011   5.029
   44    HA   ILE   5           HA       ILE   5  25.472   9.235   4.736
   45    HB   ILE   5           HB       ILE   5  25.971   7.848   6.852
   46   HG12  ILE   5          HG12      ILE   5  23.174   8.221   7.687
   47   HG13  ILE   5          HG11      ILE   5  23.384   6.975   6.455
   48   HG21  ILE   5          HG21      ILE   5  25.998  10.216   7.015
   49   HG22  ILE   5          HG22      ILE   5  24.890   9.692   8.283
   50   HG23  ILE   5          HG23      ILE   5  24.255  10.332   6.767
   51   HD11  ILE   5          HD11      ILE   5  25.127   7.108   8.916
   52   HD12  ILE   5          HD12      ILE   5  24.927   5.760   7.798
   53   HD13  ILE   5          HD13      ILE   5  23.612   6.205   8.887
   54    H    TRP   6           HN       TRP   6  23.464   6.432   4.392
   55    HA   TRP   6           HA       TRP   6  25.154   4.303   4.278
   56    HB2  TRP   6           HB2      TRP   6  22.659   5.028   3.014
   57    HB3  TRP   6           HB1      TRP   6  23.660   4.092   1.904
   58    HD1  TRP   6           HD1      TRP   6  22.676   1.737   2.068
   59    HE1  TRP   6           HE1      TRP   6  22.258   0.058   3.972
   60    HE3  TRP   6           HE3      TRP   6  23.726   4.697   6.083
   61    HZ2  TRP   6           HZ2      TRP   6  22.355  -0.018   6.824
   62    HZ3  TRP   6           HZ3      TRP   6  23.555   3.800   8.388
   63    HH2  TRP   6           HH2      TRP   6  22.871   1.446   8.765
   64    H    GLU   7           HN       GLU   7  24.448   6.220   1.352
   65    HA   GLU   7           HA       GLU   7  26.432   5.246  -0.278
   66    HB2  GLU   7           HB2      GLU   7  25.032   7.865  -0.070
   67    HB3  GLU   7           HB1      GLU   7  26.415   7.743  -1.156
   68    HG2  GLU   7           HG2      GLU   7  24.307   5.614  -1.237
   69    HG3  GLU   7           HG1      GLU   7  23.996   7.157  -2.030
   70    H    VAL   8           HN       VAL   8  26.863   7.034   2.595
   71    HA   VAL   8           HA       VAL   8  29.548   7.922   1.812
   72    HB   VAL   8           HB       VAL   8  28.271   8.449   4.484
   73   HG11  VAL   8          HG11      VAL   8  29.760  10.346   4.484
   74   HG12  VAL   8          HG12      VAL   8  30.191  10.071   2.797
   75   HG13  VAL   8          HG13      VAL   8  30.708   8.929   4.035
   76   HG21  VAL   8          HG21      VAL   8  26.660   9.137   2.730
   77   HG22  VAL   8          HG22      VAL   8  27.936  10.041   1.919
   78   HG23  VAL   8          HG23      VAL   8  27.379  10.543   3.515
   79    H    ILE   9           HN       ILE   9  27.910   5.792   4.116
   80    HA   ILE   9           HA       ILE   9  30.536   4.696   4.887
   81    HB   ILE   9           HB       ILE   9  29.647   5.429   6.878
   82   HG12  ILE   9          HG12      ILE   9  29.758   2.725   6.650
   83   HG13  ILE   9          HG11      ILE   9  29.367   3.561   8.139
   84   HG21  ILE   9          HG21      ILE   9  27.177   5.220   7.420
   85   HG22  ILE   9          HG22      ILE   9  26.944   4.767   5.728
   86   HG23  ILE   9          HG23      ILE   9  27.610   6.345   6.139
   87   HD11  ILE   9          HD11      ILE   9  27.036   3.212   7.875
   88   HD12  ILE   9          HD12      ILE   9  27.778   1.673   7.443
   89   HD13  ILE   9          HD13      ILE   9  27.208   2.758   6.184
   90    H    ALA  10           HN       ALA  10  27.186   3.820   4.105
   91    HA   ALA  10           HA       ALA  10  27.700   1.016   3.966
   92    HB1  ALA  10           HB1      ALA  10  25.506   2.621   2.630
   93    HB2  ALA  10           HB2      ALA  10  25.436   1.977   4.272
   94    HB3  ALA  10           HB3      ALA  10  25.512   0.877   2.897
   95    H    GLY  11           HN       GLY  11  26.865   3.244   1.293
   96    HA2  GLY  11           HA2      GLY  11  27.645   1.611  -0.804
   97    HA3  GLY  11           HA1      GLY  11  27.686   3.372  -0.863
   98    H    LEU  12           HN       LEU  12  29.519   3.002   1.632
   99    HA   LEU  12           HA       LEU  12  31.992   2.815   0.064
  100    HB2  LEU  12           HB2      LEU  12  31.448   4.897   1.437
  101    HB3  LEU  12           HB1      LEU  12  31.718   3.899   2.867
  102    HG   LEU  12           HG       LEU  12  33.931   3.301   1.368
  103   HD11  LEU  12          HD11      LEU  12  34.814   5.394   0.474
  104   HD12  LEU  12          HD12      LEU  12  33.358   6.254   0.977
  105   HD13  LEU  12          HD13      LEU  12  33.269   5.039  -0.298
  106   HD21  LEU  12          HD21      LEU  12  35.121   4.840   2.915
  107   HD22  LEU  12          HD22      LEU  12  33.899   3.886   3.756
  108   HD23  LEU  12          HD23      LEU  12  33.577   5.573   3.351
  109    H    VAL  13           HN       VAL  13  30.196   1.342   2.656
  110    HA   VAL  13           HA       VAL  13  32.469  -0.476   3.206
  111    HB   VAL  13           HB       VAL  13  30.081   0.224   4.926
  112   HG11  VAL  13          HG11      VAL  13  30.416  -1.988   5.517
  113   HG12  VAL  13          HG12      VAL  13  31.606  -1.214   6.563
  114   HG13  VAL  13          HG13      VAL  13  32.116  -1.965   5.051
  115   HG21  VAL  13          HG21      VAL  13  32.150   1.790   4.688
  116   HG22  VAL  13          HG22      VAL  13  33.009   0.540   5.584
  117   HG23  VAL  13          HG23      VAL  13  31.626   1.352   6.315
  118    H    ALA  14           HN       ALA  14  28.903  -0.474   2.987
  119    HA   ALA  14           HA       ALA  14  28.386  -3.154   2.965
  120    HB1  ALA  14           HB1      ALA  14  26.562  -1.605   2.766
  121    HB2  ALA  14           HB2      ALA  14  26.528  -2.626   1.329
  122    HB3  ALA  14           HB3      ALA  14  27.177  -0.988   1.233
  123    H    LEU  15           HN       LEU  15  29.357  -1.208   0.139
  124    HA   LEU  15           HA       LEU  15  29.463  -3.344  -1.699
  125    HB2  LEU  15           HB2      LEU  15  31.150  -0.827  -1.685
  126    HB3  LEU  15           HB1      LEU  15  30.799  -1.849  -3.082
  127    HG   LEU  15           HG       LEU  15  28.734  -0.355  -1.445
  128   HD11  LEU  15          HD11      LEU  15  28.765   1.324  -3.011
  129   HD12  LEU  15          HD12      LEU  15  29.203   0.230  -4.323
  130   HD13  LEU  15          HD13      LEU  15  30.437   0.795  -3.197
  131   HD21  LEU  15          HD21      LEU  15  27.410  -1.014  -3.648
  132   HD22  LEU  15          HD22      LEU  15  27.538  -2.149  -2.304
  133   HD23  LEU  15          HD23      LEU  15  28.595  -2.318  -3.705
  134    H    LEU  16           HN       LEU  16  31.674  -2.163   0.711
  135    HA   LEU  16           HA       LEU  16  33.778  -4.007  -0.161
  136    HB2  LEU  16           HB2      LEU  16  33.892  -2.104   2.171
  137    HB3  LEU  16           HB1      LEU  16  35.237  -2.817   1.277
  138    HG   LEU  16           HG       LEU  16  33.246  -0.785   0.235
  139   HD11  LEU  16          HD11      LEU  16  35.085   0.724   0.166
  140   HD12  LEU  16          HD12      LEU  16  36.254  -0.572   0.422
  141   HD13  LEU  16          HD13      LEU  16  35.198  -0.064   1.740
  142   HD21  LEU  16          HD21      LEU  16  34.885  -0.900  -1.781
  143   HD22  LEU  16          HD22      LEU  16  33.672  -2.171  -1.619
  144   HD23  LEU  16          HD23      LEU  16  35.339  -2.474  -1.127
  145    H    THR  17           HN       THR  17  31.056  -4.362   1.469
  146    HA   THR  17           HA       THR  17  32.173  -6.455   3.194
  147    HB   THR  17           HB       THR  17  30.380  -4.207   4.108
  148    HG1  THR  17           HG1      THR  17  32.795  -5.352   5.053
  149   HG21  THR  17          HG21      THR  17  30.770  -6.976   5.234
  150   HG22  THR  17          HG22      THR  17  29.264  -6.098   4.971
  151   HG23  THR  17          HG23      THR  17  30.347  -5.620   6.277
  152    H    PHE  18           HN       PHE  18  28.944  -5.005   2.855
  153    HA   PHE  18           HA       PHE  18  27.434  -7.279   2.916
  154    HB2  PHE  18           HB2      PHE  18  26.738  -4.777   2.640
  155    HB3  PHE  18           HB1      PHE  18  26.754  -5.144   0.917
  156    HD1  PHE  18           HD2      PHE  18  25.538  -6.645   4.137
  157    HD2  PHE  18           HD1      PHE  18  24.774  -5.947  -0.033
  158    HE1  PHE  18           HE2      PHE  18  23.322  -7.734   4.360
  159    HE2  PHE  18           HE1      PHE  18  22.558  -7.035   0.192
  160    HZ   PHE  18           HZ       PHE  18  21.831  -7.929   2.387
  161    H    LEU  19           HN       LEU  19  28.954  -5.849   0.032
  162    HA   LEU  19           HA       LEU  19  28.068  -7.975  -1.704
  163    HB2  LEU  19           HB2      LEU  19  29.919  -5.623  -1.985
  164    HB3  LEU  19           HB1      LEU  19  29.870  -6.863  -3.233
  165    HG   LEU  19           HG       LEU  19  28.312  -4.904  -3.625
  166   HD11  LEU  19          HD11      LEU  19  26.346  -7.025  -3.371
  167   HD12  LEU  19          HD12      LEU  19  27.862  -7.656  -4.009
  168   HD13  LEU  19          HD13      LEU  19  27.046  -6.329  -4.831
  169   HD21  LEU  19          HD21      LEU  19  26.660  -6.132  -1.415
  170   HD22  LEU  19          HD22      LEU  19  26.404  -4.596  -2.244
  171   HD23  LEU  19          HD23      LEU  19  27.752  -4.782  -1.127
  172    H    ALA  20           HN       ALA  20  30.819  -7.365   0.329
  173    HA   ALA  20           HA       ALA  20  32.616  -9.193  -0.924
  174    HB1  ALA  20           HB1      ALA  20  34.055  -8.760   0.856
  175    HB2  ALA  20           HB2      ALA  20  32.733  -8.537   2.003
  176    HB3  ALA  20           HB3      ALA  20  33.085  -7.289   0.806
  177    H    PHE  21           HN       PHE  21  30.518  -9.444   1.950
  178    HA   PHE  21           HA       PHE  21  31.057 -12.297   2.155
  179    HB2  PHE  21           HB2      PHE  21  29.340 -10.422   3.793
  180    HB3  PHE  21           HB1      PHE  21  29.518 -12.144   4.128
  181    HD1  PHE  21           HD1      PHE  21  31.286  -8.896   3.975
  182    HD2  PHE  21           HD2      PHE  21  31.559 -13.045   5.054
  183    HE1  PHE  21           HE1      PHE  21  33.408  -8.444   5.174
  184    HE2  PHE  21           HE2      PHE  21  33.681 -12.591   6.255
  185    HZ   PHE  21           HZ       PHE  21  34.606 -10.292   6.313
  186    H    GLY  22           HN       GLY  22  28.542 -10.123   1.065
  187    HA2  GLY  22           HA2      GLY  22  26.368 -11.894   0.954
  188    HA3  GLY  22           HA1      GLY  22  26.588 -10.496  -0.093
  189    H    PHE  23           HN       PHE  23  28.909 -11.196  -1.439
  190    HA   PHE  23           HA       PHE  23  27.979 -12.711  -3.556
  191    HB2  PHE  23           HB2      PHE  23  30.501 -11.565  -2.765
  192    HB3  PHE  23           HB1      PHE  23  30.760 -13.158  -3.471
  193    HD1  PHE  23           HD1      PHE  23  29.104 -13.619  -5.583
  194    HD2  PHE  23           HD2      PHE  23  30.507  -9.778  -4.268
  195    HE1  PHE  23           HE1      PHE  23  28.694 -12.694  -7.847
  196    HE2  PHE  23           HE2      PHE  23  30.098  -8.852  -6.530
  197    HZ   PHE  23           HZ       PHE  23  29.189 -10.311  -8.320
  198    H    TRP  24           HN       TRP  24  28.983 -13.752  -0.475
  199    HA   TRP  24           HA       TRP  24  29.296 -16.531  -1.403
  200    HB2  TRP  24           HB2      TRP  24  31.197 -15.862  -0.120
  201    HB3  TRP  24           HB1      TRP  24  30.175 -15.148   1.132
  202    HD1  TRP  24           HD1      TRP  24  30.408 -18.611  -0.571
  203    HE1  TRP  24           HE1      TRP  24  30.181 -20.424   1.255
  204    HE3  TRP  24           HE3      TRP  24  29.856 -15.648   3.532
  205    HZ2  TRP  24           HZ2      TRP  24  29.813 -20.584   4.083
  206    HZ3  TRP  24           HZ3      TRP  24  29.568 -16.649   5.784
  207    HH2  TRP  24           HH2      TRP  24  29.545 -19.112   6.064
  208    H    LEU  25           HN       LEU  25  28.188 -15.002   1.605
  209    HA   LEU  25           HA       LEU  25  26.621 -16.723   2.796
  210    HB2  LEU  25           HB2      LEU  25  26.192 -13.849   2.236
  211    HB3  LEU  25           HB1      LEU  25  24.806 -14.738   2.867
  212    HG   LEU  25           HG       LEU  25  27.523 -15.014   4.132
  213   HD11  LEU  25          HD11      LEU  25  25.441 -12.875   4.641
  214   HD12  LEU  25          HD12      LEU  25  27.122 -12.634   4.163
  215   HD13  LEU  25          HD13      LEU  25  26.742 -13.256   5.769
  216   HD21  LEU  25          HD21      LEU  25  25.134 -16.316   4.545
  217   HD22  LEU  25          HD22      LEU  25  25.053 -15.026   5.744
  218   HD23  LEU  25          HD23      LEU  25  26.407 -16.156   5.754
  219    H    PHE  26           HN       PHE  26  25.208 -14.850   0.092
  220    HA   PHE  26           HA       PHE  26  22.923 -16.572  -0.055
  221    HB2  PHE  26           HB2      PHE  26  23.853 -14.701  -2.227
  222    HB3  PHE  26           HB1      PHE  26  22.204 -15.188  -1.829
  223    HD1  PHE  26           HD2      PHE  26  21.647 -14.794   0.809
  224    HD2  PHE  26           HD1      PHE  26  24.450 -12.549  -1.547
  225    HE1  PHE  26           HE2      PHE  26  21.453 -12.894   2.389
  226    HE2  PHE  26           HE1      PHE  26  24.256 -10.649   0.033
  227    HZ   PHE  26           HZ       PHE  26  22.765 -10.826   2.002
  228    H    LYS  27           HN       LYS  27  25.601 -15.996  -2.356
  229    HA   LYS  27           HA       LYS  27  24.953 -17.991  -4.172
  230    HB2  LYS  27           HB2      LYS  27  27.790 -17.244  -3.466
  231    HB3  LYS  27           HB1      LYS  27  27.162 -17.778  -5.025
  232    HG2  LYS  27           HG2      LYS  27  26.558 -15.157  -3.623
  233    HG3  LYS  27           HG1      LYS  27  27.461 -15.377  -5.121
  234    HD2  LYS  27           HD2      LYS  27  25.304 -16.499  -6.017
  235    HD3  LYS  27           HD1      LYS  27  24.508 -15.742  -4.636
  236    HE2  LYS  27           HE2      LYS  27  26.161 -14.243  -6.692
  237    HE3  LYS  27           HE1      LYS  27  24.400 -14.331  -6.693
  238    HZ1  LYS  27           HZ1      LYS  27  24.233 -12.957  -4.936
  239    HZ2  LYS  27           HZ2      LYS  27  25.752 -12.413  -5.469
  240    HZ3  LYS  27           HZ3      LYS  27  25.646 -13.531  -4.193
  241    H    TYR  28           HN       TYR  28  25.656 -18.500  -0.967
  242    HA   TYR  28           HA       TYR  28  26.562 -21.268  -1.515
  243    HB2  TYR  28           HB2      TYR  28  28.364 -20.802  -0.264
  244    HB3  TYR  28           HB1      TYR  28  27.698 -19.260   0.263
  245    HD1  TYR  28           HD2      TYR  28  27.242 -22.938   0.783
  246    HD2  TYR  28           HD1      TYR  28  27.046 -19.005   2.494
  247    HE1  TYR  28           HE2      TYR  28  26.721 -23.928   3.000
  248    HE2  TYR  28           HE1      TYR  28  26.525 -19.992   4.708
  249    HH   TYR  28           HH       TYR  28  25.664 -23.282   5.096
  250    H    LEU  29           HN       LEU  29  24.854 -19.199   0.826
  251    HA   LEU  29           HA       LEU  29  23.502 -21.478   1.988
  252    HB2  LEU  29           HB2      LEU  29  24.245 -19.201   3.098
  253    HB3  LEU  29           HB1      LEU  29  22.679 -18.647   2.515
  254    HG   LEU  29           HG       LEU  29  23.105 -21.111   4.240
  255   HD11  LEU  29          HD11      LEU  29  22.138 -18.326   4.939
  256   HD12  LEU  29          HD12      LEU  29  23.620 -19.096   5.505
  257   HD13  LEU  29          HD13      LEU  29  22.051 -19.717   6.018
  258   HD21  LEU  29          HD21      LEU  29  20.732 -19.820   2.943
  259   HD22  LEU  29          HD22      LEU  29  20.519 -20.513   4.548
  260   HD23  LEU  29          HD23      LEU  29  21.067 -21.529   3.218
  261    H    GLN  30           HN       GLN  30  22.628 -18.700  -0.043
  262    HA   GLN  30           HA       GLN  30  19.873 -19.535  -0.264
  263    HB2  GLN  30           HB2      GLN  30  20.340 -17.180  -0.359
  264    HB3  GLN  30           HB1      GLN  30  21.487 -17.409  -1.677
  265    HG2  GLN  30           HG2      GLN  30  19.835 -17.790  -3.249
  266    HG3  GLN  30           HG1      GLN  30  18.678 -18.365  -2.048
  267   HE21  GLN  30          HE21      GLN  30  20.307 -15.465  -1.101
  268   HE22  GLN  30          HE22      GLN  30  19.053 -14.387  -1.482
  269    H    LYS  31           HN       LYS  31  22.730 -20.573  -1.668
  270    HA   LYS  31           HA       LYS  31  21.308 -21.577  -4.065
  271    HB2  LYS  31           HB2      LYS  31  24.043 -20.487  -3.678
  272    HB3  LYS  31           HB1      LYS  31  23.876 -21.855  -4.780
  273    HG2  LYS  31           HG2      LYS  31  23.626 -19.675  -5.952
  274    HG3  LYS  31           HG1      LYS  31  22.164 -20.657  -6.055
  275    HD2  LYS  31           HD2      LYS  31  20.965 -19.268  -4.674
  276    HD3  LYS  31           HD1      LYS  31  22.382 -18.802  -3.733
  277    HE2  LYS  31           HE2      LYS  31  23.171 -17.404  -5.606
  278    HE3  LYS  31           HE1      LYS  31  21.760 -17.874  -6.554
  279    HZ1  LYS  31           HZ1      LYS  31  20.373 -16.614  -5.296
  280    HZ2  LYS  31           HZ2      LYS  31  21.789 -15.693  -5.110
  281    HZ3  LYS  31           HZ3      LYS  31  21.304 -16.768  -3.888
  282    H    LYS  32           HN       LYS  32  23.809 -22.344  -1.652
  283    HA   LYS  32           HA       LYS  32  24.588 -24.359  -0.856
  284    HB2  LYS  32           HB2      LYS  32  21.719 -24.481  -0.948
  285    HB3  LYS  32           HB1      LYS  32  22.380 -26.071  -1.317
  286    HG2  LYS  32           HG2      LYS  32  22.111 -25.891   1.089
  287    HG3  LYS  32           HG1      LYS  32  23.832 -25.891   0.719
  288    HD2  LYS  32           HD2      LYS  32  24.114 -23.791   1.506
  289    HD3  LYS  32           HD1      LYS  32  22.642 -23.208   0.729
  290    HE2  LYS  32           HE2      LYS  32  22.676 -23.222   3.306
  291    HE3  LYS  32           HE1      LYS  32  21.272 -23.944   2.521
  292    HZ1  LYS  32           HZ1      LYS  32  21.741 -25.728   3.744
  293    HZ2  LYS  32           HZ2      LYS  32  23.296 -25.170   4.144
  294    HZ3  LYS  32           HZ3      LYS  32  23.037 -25.997   2.682
  Start of MODEL   25
    1    H1   LYS   1           HT1      LYS   1  21.510  16.329  -2.993
    2    H2   LYS   1           HT2      LYS   1  21.541  17.938  -2.449
    3    H3   LYS   1           HT3      LYS   1  21.560  16.660  -1.330
    4    HA   LYS   1           HA       LYS   1  23.705  17.224  -3.303
    5    HB2  LYS   1           HB2      LYS   1  24.796  17.571  -0.823
    6    HB3  LYS   1           HB1      LYS   1  24.178  18.888  -1.819
    7    HG2  LYS   1           HG2      LYS   1  22.050  18.847  -0.702
    8    HG3  LYS   1           HG1      LYS   1  22.455  17.349   0.137
    9    HD2  LYS   1           HD2      LYS   1  23.975  18.411   1.572
   10    HD3  LYS   1           HD1      LYS   1  24.179  19.789   0.492
   11    HE2  LYS   1           HE2      LYS   1  21.612  19.138   1.967
   12    HE3  LYS   1           HE1      LYS   1  22.796  20.331   2.503
   13    HZ1  LYS   1           HZ1      LYS   1  20.852  20.493   0.379
   14    HZ2  LYS   1           HZ2      LYS   1  22.401  21.034  -0.061
   15    HZ3  LYS   1           HZ3      LYS   1  21.597  21.732   1.264
   16    H    LYS   2           HN       LYS   2  22.636  15.468  -0.394
   17    HA   LYS   2           HA       LYS   2  23.959  13.062  -1.342
   18    HB2  LYS   2           HB2      LYS   2  25.724  14.339  -0.075
   19    HB3  LYS   2           HB1      LYS   2  24.706  14.210   1.355
   20    HG2  LYS   2           HG2      LYS   2  26.309  12.403   1.434
   21    HG3  LYS   2           HG1      LYS   2  24.731  11.708   1.074
   22    HD2  LYS   2           HD2      LYS   2  25.415  10.950  -0.946
   23    HD3  LYS   2           HD1      LYS   2  26.205  12.476  -1.345
   24    HE2  LYS   2           HE2      LYS   2  27.357  10.388   0.522
   25    HE3  LYS   2           HE1      LYS   2  27.814  10.577  -1.171
   26    HZ1  LYS   2           HZ1      LYS   2  29.200  12.183  -0.595
   27    HZ2  LYS   2           HZ2      LYS   2  28.794  11.966   1.039
   28    HZ3  LYS   2           HZ3      LYS   2  27.935  13.080   0.087
   29    H    HIS   3           HN       HIS   3  22.689  11.391  -0.920
   30    HA   HIS   3           HA       HIS   3  20.209  11.399   0.165
   31    HB2  HIS   3           HB2      HIS   3  20.954   9.423  -0.919
   32    HB3  HIS   3           HB1      HIS   3  22.302   9.227   0.201
   33    HD2  HIS   3           HD2      HIS   3  21.282   6.714   1.106
   34    HE1  HIS   3           HE1      HIS   3  17.829   8.315   2.929
   35    HE2  HIS   3           HE2      HIS   3  19.240   6.223   2.659
   36    H    THR   4           HN       THR   4  22.939  10.093   2.046
   37    HA   THR   4           HA       THR   4  22.362  11.661   4.367
   38    HB   THR   4           HB       THR   4  20.472  10.150   4.593
   39    HG1  THR   4           HG1      THR   4  21.827   8.873   6.462
   40   HG21  THR   4          HG21      THR   4  22.102   7.721   4.951
   41   HG22  THR   4          HG22      THR   4  22.025   8.305   3.294
   42   HG23  THR   4          HG23      THR   4  20.544   7.924   4.166
   43    H    ILE   5           HN       ILE   5  23.197   8.902   5.762
   44    HA   ILE   5           HA       ILE   5  26.051   9.518   5.561
   45    HB   ILE   5           HB       ILE   5  26.133   7.775   7.464
   46   HG12  ILE   5          HG12      ILE   5  23.322   8.471   8.046
   47   HG13  ILE   5          HG11      ILE   5  23.547   7.326   6.723
   48   HG21  ILE   5          HG21      ILE   5  25.112   9.559   9.055
   49   HG22  ILE   5          HG22      ILE   5  24.856  10.501   7.586
   50   HG23  ILE   5          HG23      ILE   5  26.488  10.027   8.056
   51   HD11  ILE   5          HD11      ILE   5  24.770   7.049   9.478
   52   HD12  ILE   5          HD12      ILE   5  24.912   5.892   8.154
   53   HD13  ILE   5          HD13      ILE   5  23.343   6.177   8.912
   54    H    TRP   6           HN       TRP   6  23.745   7.003   4.788
   55    HA   TRP   6           HA       TRP   6  25.207   4.748   4.431
   56    HB2  TRP   6           HB2      TRP   6  22.835   5.874   3.239
   57    HB3  TRP   6           HB1      TRP   6  23.762   4.989   2.028
   58    HD1  TRP   6           HD1      TRP   6  22.550   2.745   1.876
   59    HE1  TRP   6           HE1      TRP   6  21.922   0.887   3.542
   60    HE3  TRP   6           HE3      TRP   6  23.787   5.049   6.253
   61    HZ2  TRP   6           HZ2      TRP   6  21.944   0.439   6.362
   62    HZ3  TRP   6           HZ3      TRP   6  23.475   3.886   8.419
   63    HH2  TRP   6           HH2      TRP   6  22.554   1.584   8.480
   64    H    GLU   7           HN       GLU   7  24.745   6.947   1.665
   65    HA   GLU   7           HA       GLU   7  26.713   5.968   0.023
   66    HB2  GLU   7           HB2      GLU   7  25.581   8.711   0.412
   67    HB3  GLU   7           HB1      GLU   7  26.899   8.459  -0.731
   68    HG2  GLU   7           HG2      GLU   7  24.467   8.249  -1.611
   69    HG3  GLU   7           HG1      GLU   7  25.625   7.003  -2.069
   70    H    VAL   8           HN       VAL   8  27.194   7.403   3.055
   71    HA   VAL   8           HA       VAL   8  29.959   8.178   2.422
   72    HB   VAL   8           HB       VAL   8  28.694   8.581   5.111
   73   HG11  VAL   8          HG11      VAL   8  30.412  10.544   3.659
   74   HG12  VAL   8          HG12      VAL   8  31.173   9.070   4.258
   75   HG13  VAL   8          HG13      VAL   8  30.356  10.158   5.379
   76   HG21  VAL   8          HG21      VAL   8  28.314  10.338   2.662
   77   HG22  VAL   8          HG22      VAL   8  27.821  10.755   4.302
   78   HG23  VAL   8          HG23      VAL   8  27.041   9.415   3.463
   79    H    ILE   9           HN       ILE   9  28.068   5.988   4.455
   80    HA   ILE   9           HA       ILE   9  30.572   4.631   5.229
   81    HB   ILE   9           HB       ILE   9  29.714   5.212   7.262
   82   HG12  ILE   9          HG12      ILE   9  29.437   2.558   6.786
   83   HG13  ILE   9          HG11      ILE   9  29.078   3.306   8.328
   84   HG21  ILE   9          HG21      ILE   9  27.216   5.324   7.710
   85   HG22  ILE   9          HG22      ILE   9  26.998   5.098   5.972
   86   HG23  ILE   9          HG23      ILE   9  27.876   6.500   6.580
   87   HD11  ILE   9          HD11      ILE   9  26.945   3.029   6.209
   88   HD12  ILE   9          HD12      ILE   9  26.746   3.324   7.930
   89   HD13  ILE   9          HD13      ILE   9  27.282   1.744   7.361
   90    H    ALA  10           HN       ALA  10  27.209   4.134   4.239
   91    HA   ALA  10           HA       ALA  10  27.476   1.310   3.877
   92    HB1  ALA  10           HB1      ALA  10  25.487   3.224   2.633
   93    HB2  ALA  10           HB2      ALA  10  25.290   2.422   4.191
   94    HB3  ALA  10           HB3      ALA  10  25.333   1.469   2.710
   95    H    GLY  11           HN       GLY  11  26.933   3.819   1.387
   96    HA2  GLY  11           HA2      GLY  11  27.670   2.313  -0.820
   97    HA3  GLY  11           HA1      GLY  11  27.852   4.066  -0.720
   98    H    LEU  12           HN       LEU  12  29.544   3.345   1.793
   99    HA   LEU  12           HA       LEU  12  32.061   3.089   0.306
  100    HB2  LEU  12           HB2      LEU  12  31.607   5.071   1.863
  101    HB3  LEU  12           HB1      LEU  12  31.767   3.920   3.190
  102    HG   LEU  12           HG       LEU  12  33.984   3.273   1.819
  103   HD11  LEU  12          HD11      LEU  12  33.534   4.957   0.058
  104   HD12  LEU  12          HD12      LEU  12  35.030   5.311   0.924
  105   HD13  LEU  12          HD13      LEU  12  33.567   6.229   1.279
  106   HD21  LEU  12          HD21      LEU  12  33.677   5.623   3.717
  107   HD22  LEU  12          HD22      LEU  12  35.204   4.820   3.350
  108   HD23  LEU  12          HD23      LEU  12  33.920   3.937   4.177
  109    H    VAL  13           HN       VAL  13  30.040   1.555   2.689
  110    HA   VAL  13           HA       VAL  13  32.106  -0.531   3.092
  111    HB   VAL  13           HB       VAL  13  29.808   0.222   4.914
  112   HG11  VAL  13          HG11      VAL  13  30.072  -1.882   5.688
  113   HG12  VAL  13          HG12      VAL  13  31.656  -1.369   6.269
  114   HG13  VAL  13          HG13      VAL  13  31.502  -2.140   4.690
  115   HG21  VAL  13          HG21      VAL  13  31.357   1.329   6.254
  116   HG22  VAL  13          HG22      VAL  13  32.012   1.684   4.655
  117   HG23  VAL  13          HG23      VAL  13  32.716   0.396   5.631
  118    H    ALA  14           HN       ALA  14  28.555  -0.118   3.033
  119    HA   ALA  14           HA       ALA  14  27.741  -2.709   2.770
  120    HB1  ALA  14           HB1      ALA  14  26.181  -0.808   2.805
  121    HB2  ALA  14           HB2      ALA  14  25.839  -1.874   1.443
  122    HB3  ALA  14           HB3      ALA  14  26.693  -0.352   1.180
  123    H    LEU  15           HN       LEU  15  28.884  -0.606   0.130
  124    HA   LEU  15           HA       LEU  15  28.652  -2.569  -1.900
  125    HB2  LEU  15           HB2      LEU  15  28.879  -0.132  -2.351
  126    HB3  LEU  15           HB1      LEU  15  30.540  -0.199  -1.769
  127    HG   LEU  15           HG       LEU  15  31.082  -1.853  -3.539
  128   HD11  LEU  15          HD11      LEU  15  29.177  -3.014  -4.142
  129   HD12  LEU  15          HD12      LEU  15  29.191  -1.805  -5.426
  130   HD13  LEU  15          HD13      LEU  15  28.144  -1.589  -4.024
  131   HD21  LEU  15          HD21      LEU  15  31.667  -0.011  -4.692
  132   HD22  LEU  15          HD22      LEU  15  30.400   0.920  -3.890
  133   HD23  LEU  15          HD23      LEU  15  30.042   0.043  -5.378
  134    H    LEU  16           HN       LEU  16  31.097  -1.818   0.473
  135    HA   LEU  16           HA       LEU  16  32.977  -3.734  -0.696
  136    HB2  LEU  16           HB2      LEU  16  33.369  -2.129   1.826
  137    HB3  LEU  16           HB1      LEU  16  34.602  -2.846   0.786
  138    HG   LEU  16           HG       LEU  16  32.766  -0.537   0.095
  139   HD11  LEU  16          HD11      LEU  16  35.782  -0.584   0.067
  140   HD12  LEU  16          HD12      LEU  16  34.894  -0.236   1.550
  141   HD13  LEU  16          HD13      LEU  16  34.704   0.810   0.143
  142   HD21  LEU  16          HD21      LEU  16  32.968  -1.735  -1.926
  143   HD22  LEU  16          HD22      LEU  16  34.623  -2.232  -1.571
  144   HD23  LEU  16          HD23      LEU  16  34.280  -0.559  -2.017
  145    H    THR  17           HN       THR  17  30.313  -4.004   1.091
  146    HA   THR  17           HA       THR  17  31.399  -6.230   2.704
  147    HB   THR  17           HB       THR  17  29.479  -4.070   3.456
  148    HG1  THR  17           HG1      THR  17  30.840  -3.888   5.072
  149   HG21  THR  17          HG21      THR  17  29.398  -6.947   4.354
  150   HG22  THR  17          HG22      THR  17  28.056  -5.908   3.870
  151   HG23  THR  17          HG23      THR  17  28.863  -5.643   5.414
  152    H    PHE  18           HN       PHE  18  28.276  -4.952   1.541
  153    HA   PHE  18           HA       PHE  18  26.727  -7.171   1.529
  154    HB2  PHE  18           HB2      PHE  18  26.308  -4.768   0.549
  155    HB3  PHE  18           HB1      PHE  18  26.757  -5.529  -0.978
  156    HD1  PHE  18           HD2      PHE  18  24.489  -5.914   1.968
  157    HD2  PHE  18           HD1      PHE  18  25.200  -6.846  -2.164
  158    HE1  PHE  18           HE2      PHE  18  22.227  -6.917   1.806
  159    HE2  PHE  18           HE1      PHE  18  22.938  -7.849  -2.326
  160    HZ   PHE  18           HZ       PHE  18  21.451  -7.885  -0.342
  161    H    LEU  19           HN       LEU  19  29.000  -6.312  -1.087
  162    HA   LEU  19           HA       LEU  19  28.563  -8.695  -2.582
  163    HB2  LEU  19           HB2      LEU  19  30.683  -6.561  -2.587
  164    HB3  LEU  19           HB1      LEU  19  30.859  -7.997  -3.591
  165    HG   LEU  19           HG       LEU  19  29.757  -6.036  -4.749
  166   HD11  LEU  19          HD11      LEU  19  28.714  -7.541  -6.066
  167   HD12  LEU  19          HD12      LEU  19  27.550  -7.932  -4.801
  168   HD13  LEU  19          HD13      LEU  19  29.103  -8.763  -4.856
  169   HD21  LEU  19          HD21      LEU  19  27.565  -5.347  -4.113
  170   HD22  LEU  19          HD22      LEU  19  28.494  -5.395  -2.615
  171   HD23  LEU  19          HD23      LEU  19  27.381  -6.708  -3.005
  172    H    ALA  20           HN       ALA  20  31.346  -7.687  -0.575
  173    HA   ALA  20           HA       ALA  20  32.887  -9.933  -0.667
  174    HB1  ALA  20           HB1      ALA  20  33.649  -8.075   0.617
  175    HB2  ALA  20           HB2      ALA  20  33.487  -9.420   1.747
  176    HB3  ALA  20           HB3      ALA  20  32.254  -8.161   1.693
  177    H    PHE  21           HN       PHE  21  30.260  -9.419   1.705
  178    HA   PHE  21           HA       PHE  21  30.367 -12.154   2.597
  179    HB2  PHE  21           HB2      PHE  21  28.470  -9.870   3.147
  180    HB3  PHE  21           HB1      PHE  21  28.266 -11.476   3.847
  181    HD1  PHE  21           HD1      PHE  21  30.811  -8.758   3.443
  182    HD2  PHE  21           HD2      PHE  21  29.400 -12.044   5.820
  183    HE1  PHE  21           HE1      PHE  21  32.481  -8.209   5.191
  184    HE2  PHE  21           HE2      PHE  21  31.069 -11.495   7.570
  185    HZ   PHE  21           HZ       PHE  21  32.610  -9.577   7.254
  186    H    GLY  22           HN       GLY  22  28.227 -10.233   0.524
  187    HA2  GLY  22           HA2      GLY  22  26.167 -12.053   0.118
  188    HA3  GLY  22           HA1      GLY  22  26.704 -10.878  -1.080
  189    H    PHE  23           HN       PHE  23  29.165 -11.692  -1.783
  190    HA   PHE  23           HA       PHE  23  28.802 -13.646  -3.667
  191    HB2  PHE  23           HB2      PHE  23  31.063 -12.271  -2.507
  192    HB3  PHE  23           HB1      PHE  23  31.474 -13.951  -2.853
  193    HD1  PHE  23           HD2      PHE  23  30.401 -14.819  -5.189
  194    HD2  PHE  23           HD1      PHE  23  31.408 -10.751  -4.244
  195    HE1  PHE  23           HE2      PHE  23  30.557 -14.295  -7.609
  196    HE2  PHE  23           HE1      PHE  23  31.564 -10.228  -6.662
  197    HZ   PHE  23           HZ       PHE  23  31.139 -12.001  -8.344
  198    H    TRP  24           HN       TRP  24  29.118 -14.034  -0.278
  199    HA   TRP  24           HA       TRP  24  29.596 -16.925  -0.560
  200    HB2  TRP  24           HB2      TRP  24  31.148 -15.932   0.969
  201    HB3  TRP  24           HB1      TRP  24  29.859 -15.062   1.801
  202    HD1  TRP  24           HD1      TRP  24  30.522 -18.756   0.879
  203    HE1  TRP  24           HE1      TRP  24  29.901 -20.219   2.913
  204    HE3  TRP  24           HE3      TRP  24  28.990 -15.138   4.116
  205    HZ2  TRP  24           HZ2      TRP  24  28.889 -19.887   5.563
  206    HZ3  TRP  24           HZ3      TRP  24  28.199 -15.731   6.393
  207    HH2  TRP  24           HH2      TRP  24  28.148 -18.101   7.119
  208    H    LEU  25           HN       LEU  25  27.846 -14.932   1.791
  209    HA   LEU  25           HA       LEU  25  26.028 -16.446   2.889
  210    HB2  LEU  25           HB2      LEU  25  25.783 -13.737   1.730
  211    HB3  LEU  25           HB1      LEU  25  24.270 -14.534   2.163
  212    HG   LEU  25           HG       LEU  25  26.614 -14.484   4.058
  213   HD11  LEU  25          HD11      LEU  25  25.649 -12.490   5.106
  214   HD12  LEU  25          HD12      LEU  25  24.378 -12.441   3.884
  215   HD13  LEU  25          HD13      LEU  25  26.055 -12.144   3.427
  216   HD21  LEU  25          HD21      LEU  25  25.171 -15.445   5.520
  217   HD22  LEU  25          HD22      LEU  25  24.163 -15.783   4.114
  218   HD23  LEU  25          HD23      LEU  25  23.867 -14.341   5.084
  219    H    PHE  26           HN       PHE  26  25.268 -15.145  -0.360
  220    HA   PHE  26           HA       PHE  26  23.056 -16.931  -0.675
  221    HB2  PHE  26           HB2      PHE  26  24.467 -15.503  -2.920
  222    HB3  PHE  26           HB1      PHE  26  22.761 -15.935  -2.794
  223    HD1  PHE  26           HD1      PHE  26  21.706 -15.040  -0.415
  224    HD2  PHE  26           HD2      PHE  26  24.907 -13.229  -2.634
  225    HE1  PHE  26           HE1      PHE  26  21.221 -12.864   0.662
  226    HE2  PHE  26           HE2      PHE  26  24.421 -11.051  -1.556
  227    HZ   PHE  26           HZ       PHE  26  22.584 -10.871   0.095
  228    H    LYS  27           HN       LYS  27  26.159 -16.726  -2.433
  229    HA   LYS  27           HA       LYS  27  25.912 -19.050  -3.915
  230    HB2  LYS  27           HB2      LYS  27  28.527 -18.092  -2.749
  231    HB3  LYS  27           HB1      LYS  27  28.266 -18.945  -4.269
  232    HG2  LYS  27           HG2      LYS  27  27.379 -16.123  -3.599
  233    HG3  LYS  27           HG1      LYS  27  28.611 -16.597  -4.768
  234    HD2  LYS  27           HD2      LYS  27  26.700 -17.972  -5.875
  235    HD3  LYS  27           HD1      LYS  27  25.627 -16.937  -4.933
  236    HE2  LYS  27           HE2      LYS  27  27.299 -15.067  -5.967
  237    HE3  LYS  27           HE1      LYS  27  27.332 -16.265  -7.263
  238    HZ1  LYS  27           HZ1      LYS  27  25.268 -15.755  -7.851
  239    HZ2  LYS  27           HZ2      LYS  27  25.386 -14.397  -6.835
  240    HZ3  LYS  27           HZ3      LYS  27  24.696 -15.838  -6.256
  241    H    TYR  28           HN       TYR  28  25.919 -18.909  -0.584
  242    HA   TYR  28           HA       TYR  28  26.893 -21.703  -0.382
  243    HB2  TYR  28           HB2      TYR  28  28.388 -20.921   1.099
  244    HB3  TYR  28           HB1      TYR  28  27.607 -19.345   1.174
  245    HD1  TYR  28           HD1      TYR  28  27.038 -22.886   2.261
  246    HD2  TYR  28           HD2      TYR  28  26.549 -18.715   3.157
  247    HE1  TYR  28           HE1      TYR  28  26.072 -23.475   4.471
  248    HE2  TYR  28           HE2      TYR  28  25.582 -19.301   5.364
  249    HH   TYR  28           HH       TYR  28  25.352 -22.694   6.427
  250    H    LEU  29           HN       LEU  29  24.672 -19.299   1.028
  251    HA   LEU  29           HA       LEU  29  23.112 -21.410   2.286
  252    HB2  LEU  29           HB2      LEU  29  23.632 -18.915   3.096
  253    HB3  LEU  29           HB1      LEU  29  22.144 -18.593   2.208
  254    HG   LEU  29           HG       LEU  29  22.462 -20.678   4.390
  255   HD11  LEU  29          HD11      LEU  29  20.910 -19.110   5.627
  256   HD12  LEU  29          HD12      LEU  29  21.215 -17.920   4.361
  257   HD13  LEU  29          HD13      LEU  29  22.541 -18.487   5.378
  258   HD21  LEU  29          HD21      LEU  29  19.827 -20.390   4.163
  259   HD22  LEU  29          HD22      LEU  29  20.703 -21.504   3.117
  260   HD23  LEU  29          HD23      LEU  29  20.247 -19.910   2.520
  261    H    GLN  30           HN       GLN  30  22.787 -19.108  -0.372
  262    HA   GLN  30           HA       GLN  30  20.084 -19.964  -0.977
  263    HB2  GLN  30           HB2      GLN  30  20.610 -17.666  -1.403
  264    HB3  GLN  30           HB1      GLN  30  22.015 -18.108  -2.370
  265    HG2  GLN  30           HG2      GLN  30  20.727 -18.865  -4.157
  266    HG3  GLN  30           HG1      GLN  30  19.297 -19.104  -3.154
  267   HE21  GLN  30          HE21      GLN  30  20.819 -16.125  -2.412
  268   HE22  GLN  30          HE22      GLN  30  19.816 -15.122  -3.343
  269    H    LYS  31           HN       LYS  31  23.112 -21.251  -1.533
  270    HA   LYS  31           HA       LYS  31  22.212 -22.620  -4.001
  271    HB2  LYS  31           HB2      LYS  31  24.843 -21.539  -3.152
  272    HB3  LYS  31           HB1      LYS  31  24.860 -23.075  -4.019
  273    HG2  LYS  31           HG2      LYS  31  25.018 -21.097  -5.542
  274    HG3  LYS  31           HG1      LYS  31  23.604 -22.101  -5.863
  275    HD2  LYS  31           HD2      LYS  31  22.126 -20.529  -5.041
  276    HD3  LYS  31           HD1      LYS  31  23.304 -19.858  -3.911
  277    HE2  LYS  31           HE2      LYS  31  24.517 -18.819  -5.787
  278    HE3  LYS  31           HE1      LYS  31  23.355 -19.501  -6.923
  279    HZ1  LYS  31           HZ1      LYS  31  22.675 -17.639  -4.713
  280    HZ2  LYS  31           HZ2      LYS  31  21.606 -18.243  -5.887
  281    HZ3  LYS  31           HZ3      LYS  31  22.860 -17.187  -6.337
  282    H    LYS  32           HN       LYS  32  21.983 -23.205  -0.951
  283    HA   LYS  32           HA       LYS  32  23.353 -25.800  -0.869
  284    HB2  LYS  32           HB2      LYS  32  22.676 -25.857   1.485
  285    HB3  LYS  32           HB1      LYS  32  23.502 -24.342   1.117
  286    HG2  LYS  32           HG2      LYS  32  21.701 -23.326   2.033
  287    HG3  LYS  32           HG1      LYS  32  20.861 -23.754   0.542
  288    HD2  LYS  32           HD2      LYS  32  20.267 -25.963   1.615
  289    HD3  LYS  32           HD1      LYS  32  20.919 -25.330   3.128
  290    HE2  LYS  32           HE2      LYS  32  19.226 -23.306   2.185
  291    HE3  LYS  32           HE1      LYS  32  18.346 -24.804   1.877
  292    HZ1  LYS  32           HZ1      LYS  32  19.223 -23.649   4.420
  293    HZ2  LYS  32           HZ2      LYS  32  19.173 -25.342   4.289
  294    HZ3  LYS  32           HZ3      LYS  32  17.767 -24.425   4.031
  Start of MODEL   26
    1    H1   LYS   1           HT1      LYS   1  27.572  17.622  -0.523
    2    H2   LYS   1           HT2      LYS   1  27.635  18.957   0.526
    3    H3   LYS   1           HT3      LYS   1  26.900  19.105  -0.998
    4    HA   LYS   1           HA       LYS   1  25.925  17.643   1.379
    5    HB2  LYS   1           HB2      LYS   1  25.303  20.001   1.212
    6    HB3  LYS   1           HB1      LYS   1  24.747  19.761  -0.445
    7    HG2  LYS   1           HG2      LYS   1  22.796  18.785   0.213
    8    HG3  LYS   1           HG1      LYS   1  23.565  17.921   1.544
    9    HD2  LYS   1           HD2      LYS   1  23.540  19.876   2.940
   10    HD3  LYS   1           HD1      LYS   1  23.058  20.905   1.591
   11    HE2  LYS   1           HE2      LYS   1  21.176  20.264   3.167
   12    HE3  LYS   1           HE1      LYS   1  20.890  19.870   1.471
   13    HZ1  LYS   1           HZ1      LYS   1  20.482  18.100   3.303
   14    HZ2  LYS   1           HZ2      LYS   1  22.163  17.882   3.221
   15    HZ3  LYS   1           HZ3      LYS   1  21.205  17.644   1.838
   16    H    LYS   2           HN       LYS   2  25.669  15.553   0.737
   17    HA   LYS   2           HA       LYS   2  23.818  15.081  -1.496
   18    HB2  LYS   2           HB2      LYS   2  25.268  13.104  -2.166
   19    HB3  LYS   2           HB1      LYS   2  25.918  14.696  -2.558
   20    HG2  LYS   2           HG2      LYS   2  27.712  14.372  -1.231
   21    HG3  LYS   2           HG1      LYS   2  26.692  13.885   0.123
   22    HD2  LYS   2           HD2      LYS   2  26.526  11.612  -0.799
   23    HD3  LYS   2           HD1      LYS   2  27.511  12.091  -2.182
   24    HE2  LYS   2           HE2      LYS   2  28.376  12.044   0.723
   25    HE3  LYS   2           HE1      LYS   2  28.941  10.977  -0.562
   26    HZ1  LYS   2           HZ1      LYS   2  29.348  13.911  -0.388
   27    HZ2  LYS   2           HZ2      LYS   2  29.784  12.960  -1.725
   28    HZ3  LYS   2           HZ3      LYS   2  30.535  12.712  -0.222
   29    H    HIS   3           HN       HIS   3  22.305  13.598  -1.019
   30    HA   HIS   3           HA       HIS   3  21.018  12.275   0.381
   31    HB2  HIS   3           HB2      HIS   3  22.587  10.718  -0.873
   32    HB3  HIS   3           HB1      HIS   3  23.573  10.680   0.589
   33    HD2  HIS   3           HD2      HIS   3  22.689   7.869   0.761
   34    HE1  HIS   3           HE1      HIS   3  18.845   8.918   2.154
   35    HE2  HIS   3           HE2      HIS   3  20.482   7.000   1.853
   36    H    THR   4           HN       THR   4  22.968  10.591   2.298
   37    HA   THR   4           HA       THR   4  22.986  12.591   4.478
   38    HB   THR   4           HB       THR   4  21.115  11.167   4.939
   39    HG1  THR   4           HG1      THR   4  22.924   9.794   6.488
   40   HG21  THR   4          HG21      THR   4  22.243   8.582   5.187
   41   HG22  THR   4          HG22      THR   4  22.748   9.198   3.613
   42   HG23  THR   4          HG23      THR   4  21.035   9.119   4.024
   43    H    ILE   5           HN       ILE   5  23.819   9.537   5.521
   44    HA   ILE   5           HA       ILE   5  26.700  10.139   5.245
   45    HB   ILE   5           HB       ILE   5  26.842   8.587   7.298
   46   HG12  ILE   5          HG12      ILE   5  24.140   9.474   8.066
   47   HG13  ILE   5          HG11      ILE   5  24.156   8.256   6.791
   48   HG21  ILE   5          HG21      ILE   5  26.158  10.524   8.805
   49   HG22  ILE   5          HG22      ILE   5  25.612  11.351   7.345
   50   HG23  ILE   5          HG23      ILE   5  27.314  10.923   7.533
   51   HD11  ILE   5          HD11      ILE   5  24.133   7.382   9.202
   52   HD12  ILE   5          HD12      ILE   5  25.798   7.955   9.305
   53   HD13  ILE   5          HD13      ILE   5  25.364   6.713   8.131
   54    H    TRP   6           HN       TRP   6  24.174   7.862   4.654
   55    HA   TRP   6           HA       TRP   6  25.405   5.426   4.495
   56    HB2  TRP   6           HB2      TRP   6  23.118   6.681   3.270
   57    HB3  TRP   6           HB1      TRP   6  23.932   5.643   2.099
   58    HD1  TRP   6           HD1      TRP   6  22.536   3.504   2.111
   59    HE1  TRP   6           HE1      TRP   6  21.780   1.821   3.906
   60    HE3  TRP   6           HE3      TRP   6  24.047   5.972   6.309
   61    HZ2  TRP   6           HZ2      TRP   6  21.813   1.559   6.748
   62    HZ3  TRP   6           HZ3      TRP   6  23.675   4.985   8.553
   63    HH2  TRP   6           HH2      TRP   6  22.560   2.782   8.778
   64    H    GLU   7           HN       GLU   7  25.317   7.799   1.827
   65    HA   GLU   7           HA       GLU   7  27.047   6.418   0.109
   66    HB2  GLU   7           HB2      GLU   7  25.792   9.000   0.236
   67    HB3  GLU   7           HB1      GLU   7  27.459   9.170  -0.317
   68    HG2  GLU   7           HG2      GLU   7  25.480   7.185  -1.465
   69    HG3  GLU   7           HG1      GLU   7  25.829   8.757  -2.179
   70    H    VAL   8           HN       VAL   8  27.750   7.676   3.104
   71    HA   VAL   8           HA       VAL   8  30.573   8.196   2.425
   72    HB   VAL   8           HB       VAL   8  29.273   8.823   5.069
   73   HG11  VAL   8          HG11      VAL   8  31.196   9.998   5.503
   74   HG12  VAL   8          HG12      VAL   8  31.436  10.435   3.812
   75   HG13  VAL   8          HG13      VAL   8  31.871   8.821   4.376
   76   HG21  VAL   8          HG21      VAL   8  29.453  10.585   2.603
   77   HG22  VAL   8          HG22      VAL   8  28.908  11.110   4.196
   78   HG23  VAL   8          HG23      VAL   8  27.964   9.931   3.285
   79    H    ILE   9           HN       ILE   9  28.445   6.307   4.522
   80    HA   ILE   9           HA       ILE   9  30.764   4.673   5.323
   81    HB   ILE   9           HB       ILE   9  29.955   5.451   7.327
   82   HG12  ILE   9          HG12      ILE   9  29.496   2.805   6.931
   83   HG13  ILE   9          HG11      ILE   9  29.216   3.621   8.454
   84   HG21  ILE   9          HG21      ILE   9  27.233   5.460   6.041
   85   HG22  ILE   9          HG22      ILE   9  28.202   6.829   6.583
   86   HG23  ILE   9          HG23      ILE   9  27.473   5.752   7.765
   87   HD11  ILE   9          HD11      ILE   9  27.297   2.164   7.577
   88   HD12  ILE   9          HD12      ILE   9  27.039   3.415   6.369
   89   HD13  ILE   9          HD13      ILE   9  26.880   3.800   8.078
   90    H    ALA  10           HN       ALA  10  27.350   4.552   4.357
   91    HA   ALA  10           HA       ALA  10  27.315   1.706   4.044
   92    HB1  ALA  10           HB1      ALA  10  25.271   3.095   4.380
   93    HB2  ALA  10           HB2      ALA  10  25.168   2.038   2.973
   94    HB3  ALA  10           HB3      ALA  10  25.499   3.756   2.761
   95    H    GLY  11           HN       GLY  11  27.001   4.235   1.531
   96    HA2  GLY  11           HA2      GLY  11  27.536   2.633  -0.669
   97    HA3  GLY  11           HA1      GLY  11  27.909   4.355  -0.591
   98    H    LEU  12           HN       LEU  12  29.543   3.475   1.910
   99    HA   LEU  12           HA       LEU  12  32.004   2.942   0.403
  100    HB2  LEU  12           HB2      LEU  12  31.791   4.962   1.950
  101    HB3  LEU  12           HB1      LEU  12  31.806   3.809   3.287
  102    HG   LEU  12           HG       LEU  12  33.937   2.921   1.849
  103   HD11  LEU  12          HD11      LEU  12  34.096   5.934   1.658
  104   HD12  LEU  12          HD12      LEU  12  33.559   4.935   0.308
  105   HD13  LEU  12          HD13      LEU  12  35.189   4.741   0.954
  106   HD21  LEU  12          HD21      LEU  12  35.319   4.146   3.511
  107   HD22  LEU  12          HD22      LEU  12  33.904   3.406   4.260
  108   HD23  LEU  12          HD23      LEU  12  33.920   5.137   3.924
  109    H    VAL  13           HN       VAL  13  29.861   1.639   2.829
  110    HA   VAL  13           HA       VAL  13  31.723  -0.622   3.263
  111    HB   VAL  13           HB       VAL  13  29.431   0.364   4.975
  112   HG11  VAL  13          HG11      VAL  13  30.685  -1.457   6.501
  113   HG12  VAL  13          HG12      VAL  13  30.997  -2.171   4.918
  114   HG13  VAL  13          HG13      VAL  13  29.339  -1.886   5.445
  115   HG21  VAL  13          HG21      VAL  13  31.072   1.141   6.459
  116   HG22  VAL  13          HG22      VAL  13  31.794   1.515   4.895
  117   HG23  VAL  13          HG23      VAL  13  32.315   0.088   5.789
  118    H    ALA  14           HN       ALA  14  28.231   0.079   2.923
  119    HA   ALA  14           HA       ALA  14  27.229  -2.449   2.666
  120    HB1  ALA  14           HB1      ALA  14  25.908  -0.322   2.478
  121    HB2  ALA  14           HB2      ALA  14  25.470  -1.550   1.289
  122    HB3  ALA  14           HB3      ALA  14  26.475  -0.181   0.814
  123    H    LEU  15           HN       LEU  15  28.591  -0.513  -0.018
  124    HA   LEU  15           HA       LEU  15  28.426  -2.524  -1.966
  125    HB2  LEU  15           HB2      LEU  15  28.922  -0.156  -2.485
  126    HB3  LEU  15           HB1      LEU  15  30.497  -0.323  -1.712
  127    HG   LEU  15           HG       LEU  15  31.119  -2.066  -3.357
  128   HD11  LEU  15          HD11      LEU  15  29.452  -2.018  -5.433
  129   HD12  LEU  15          HD12      LEU  15  28.273  -1.648  -4.176
  130   HD13  LEU  15          HD13      LEU  15  29.206  -3.142  -4.095
  131   HD21  LEU  15          HD21      LEU  15  30.250  -0.073  -5.278
  132   HD22  LEU  15          HD22      LEU  15  31.878  -0.418  -4.692
  133   HD23  LEU  15          HD23      LEU  15  30.836   0.693  -3.802
  134    H    LEU  16           HN       LEU  16  30.689  -1.963   0.624
  135    HA   LEU  16           HA       LEU  16  32.446  -4.115  -0.325
  136    HB2  LEU  16           HB2      LEU  16  32.895  -2.417   2.118
  137    HB3  LEU  16           HB1      LEU  16  34.084  -3.287   1.150
  138    HG   LEU  16           HG       LEU  16  32.481  -0.868   0.276
  139   HD11  LEU  16          HD11      LEU  16  34.518   0.334   0.386
  140   HD12  LEU  16          HD12      LEU  16  35.481  -1.139   0.478
  141   HD13  LEU  16          HD13      LEU  16  34.511  -0.632   1.860
  142   HD21  LEU  16          HD21      LEU  16  34.352  -2.733  -1.190
  143   HD22  LEU  16          HD22      LEU  16  34.087  -1.078  -1.736
  144   HD23  LEU  16          HD23      LEU  16  32.737  -2.208  -1.664
  145    H    THR  17           HN       THR  17  29.659  -4.164   1.151
  146    HA   THR  17           HA       THR  17  30.452  -6.316   3.003
  147    HB   THR  17           HB       THR  17  28.780  -3.908   3.588
  148    HG1  THR  17           HG1      THR  17  30.942  -5.298   4.636
  149   HG21  THR  17          HG21      THR  17  27.996  -5.231   5.647
  150   HG22  THR  17          HG22      THR  17  28.427  -6.677   4.735
  151   HG23  THR  17          HG23      THR  17  27.185  -5.583   4.122
  152    H    PHE  18           HN       PHE  18  28.228  -5.062   0.666
  153    HA   PHE  18           HA       PHE  18  26.165  -7.004   1.126
  154    HB2  PHE  18           HB2      PHE  18  26.096  -4.618  -0.035
  155    HB3  PHE  18           HB1      PHE  18  26.436  -5.573  -1.477
  156    HD1  PHE  18           HD2      PHE  18  24.200  -5.525   1.526
  157    HD2  PHE  18           HD1      PHE  18  24.664  -6.615  -2.602
  158    HE1  PHE  18           HE2      PHE  18  21.827  -6.230   1.445
  159    HE2  PHE  18           HE1      PHE  18  22.294  -7.322  -2.682
  160    HZ   PHE  18           HZ       PHE  18  20.870  -7.129  -0.660
  161    H    LEU  19           HN       LEU  19  28.684  -6.502  -1.327
  162    HA   LEU  19           HA       LEU  19  28.123  -9.033  -2.617
  163    HB2  LEU  19           HB2      LEU  19  30.592  -7.402  -3.117
  164    HB3  LEU  19           HB1      LEU  19  29.646  -8.369  -4.250
  165    HG   LEU  19           HG       LEU  19  28.805  -5.745  -2.985
  166   HD11  LEU  19          HD11      LEU  19  29.608  -6.584  -5.776
  167   HD12  LEU  19          HD12      LEU  19  30.331  -5.327  -4.772
  168   HD13  LEU  19          HD13      LEU  19  28.723  -5.093  -5.455
  169   HD21  LEU  19          HD21      LEU  19  26.848  -7.134  -3.181
  170   HD22  LEU  19          HD22      LEU  19  27.338  -7.701  -4.776
  171   HD23  LEU  19          HD23      LEU  19  26.824  -6.028  -4.553
  172    H    ALA  20           HN       ALA  20  30.832  -7.650  -0.760
  173    HA   ALA  20           HA       ALA  20  32.625  -9.694  -0.731
  174    HB1  ALA  20           HB1      ALA  20  33.288  -7.863   0.532
  175    HB2  ALA  20           HB2      ALA  20  32.914  -9.035   1.795
  176    HB3  ALA  20           HB3      ALA  20  31.752  -7.772   1.393
  177    H    PHE  21           HN       PHE  21  29.691  -9.466   1.250
  178    HA   PHE  21           HA       PHE  21  30.143 -12.157   2.309
  179    HB2  PHE  21           HB2      PHE  21  28.023 -10.077   2.887
  180    HB3  PHE  21           HB1      PHE  21  28.111 -11.656   3.670
  181    HD1  PHE  21           HD1      PHE  21  30.224  -8.646   2.946
  182    HD2  PHE  21           HD2      PHE  21  29.383 -11.897   5.624
  183    HE1  PHE  21           HE1      PHE  21  31.886  -7.752   4.553
  184    HE2  PHE  21           HE2      PHE  21  31.046 -11.001   7.231
  185    HZ   PHE  21           HZ       PHE  21  32.297  -8.930   6.693
  186    H    GLY  22           HN       GLY  22  27.891 -10.370   0.252
  187    HA2  GLY  22           HA2      GLY  22  25.921 -12.292  -0.133
  188    HA3  GLY  22           HA1      GLY  22  26.400 -11.104  -1.343
  189    H    PHE  23           HN       PHE  23  29.026 -11.890  -1.816
  190    HA   PHE  23           HA       PHE  23  28.733 -13.876  -3.749
  191    HB2  PHE  23           HB2      PHE  23  30.923 -12.365  -2.578
  192    HB3  PHE  23           HB1      PHE  23  31.409 -14.015  -2.967
  193    HD1  PHE  23           HD1      PHE  23  30.377 -14.889  -5.310
  194    HD2  PHE  23           HD2      PHE  23  31.138 -10.787  -4.284
  195    HE1  PHE  23           HE1      PHE  23  30.470 -14.303  -7.719
  196    HE2  PHE  23           HE2      PHE  23  31.231 -10.202  -6.691
  197    HZ   PHE  23           HZ       PHE  23  30.895 -11.960  -8.408
  198    H    TRP  24           HN       TRP  24  28.999 -14.148  -0.356
  199    HA   TRP  24           HA       TRP  24  29.683 -17.004  -0.535
  200    HB2  TRP  24           HB2      TRP  24  31.111 -15.864   1.009
  201    HB3  TRP  24           HB1      TRP  24  29.739 -15.057   1.772
  202    HD1  TRP  24           HD1      TRP  24  30.650 -18.733   0.986
  203    HE1  TRP  24           HE1      TRP  24  30.069 -20.165   3.055
  204    HE3  TRP  24           HE3      TRP  24  28.838 -15.111   4.072
  205    HZ2  TRP  24           HZ2      TRP  24  28.979 -19.810   5.669
  206    HZ3  TRP  24           HZ3      TRP  24  28.031 -15.677   6.349
  207    HH2  TRP  24           HH2      TRP  24  28.101 -18.022   7.151
  208    H    LEU  25           HN       LEU  25  27.764 -15.141   1.781
  209    HA   LEU  25           HA       LEU  25  26.011 -16.735   2.835
  210    HB2  LEU  25           HB2      LEU  25  25.607 -14.068   1.623
  211    HB3  LEU  25           HB1      LEU  25  24.145 -14.961   2.046
  212    HG   LEU  25           HG       LEU  25  26.424 -14.768   4.002
  213   HD11  LEU  25          HD11      LEU  25  24.183 -12.751   3.653
  214   HD12  LEU  25          HD12      LEU  25  25.887 -12.455   3.306
  215   HD13  LEU  25          HD13      LEU  25  25.365 -12.763   4.962
  216   HD21  LEU  25          HD21      LEU  25  23.569 -14.668   4.804
  217   HD22  LEU  25          HD22      LEU  25  24.900 -15.591   5.498
  218   HD23  LEU  25          HD23      LEU  25  24.090 -16.170   4.044
  219    H    PHE  26           HN       PHE  26  25.283 -15.573  -0.476
  220    HA   PHE  26           HA       PHE  26  23.200 -17.521  -0.806
  221    HB2  PHE  26           HB2      PHE  26  24.556 -16.065  -3.063
  222    HB3  PHE  26           HB1      PHE  26  22.874 -16.581  -2.937
  223    HD1  PHE  26           HD1      PHE  26  21.825 -15.665  -0.514
  224    HD2  PHE  26           HD2      PHE  26  24.792 -13.747  -2.956
  225    HE1  PHE  26           HE1      PHE  26  21.217 -13.474   0.469
  226    HE2  PHE  26           HE2      PHE  26  24.187 -11.556  -1.969
  227    HZ   PHE  26           HZ       PHE  26  22.404 -11.420  -0.255
  228    H    LYS  27           HN       LYS  27  26.217 -17.082  -2.659
  229    HA   LYS  27           HA       LYS  27  26.241 -19.451  -4.021
  230    HB2  LYS  27           HB2      LYS  27  28.749 -18.293  -2.809
  231    HB3  LYS  27           HB1      LYS  27  28.582 -19.167  -4.329
  232    HG2  LYS  27           HG2      LYS  27  27.512 -16.403  -3.691
  233    HG3  LYS  27           HG1      LYS  27  28.766 -16.816  -4.858
  234    HD2  LYS  27           HD2      LYS  27  26.934 -18.309  -5.949
  235    HD3  LYS  27           HD1      LYS  27  25.804 -17.328  -5.013
  236    HE2  LYS  27           HE2      LYS  27  27.363 -15.375  -6.067
  237    HE3  LYS  27           HE1      LYS  27  27.470 -16.579  -7.350
  238    HZ1  LYS  27           HZ1      LYS  27  25.345 -16.279  -7.910
  239    HZ2  LYS  27           HZ2      LYS  27  25.447 -14.826  -7.034
  240    HZ3  LYS  27           HZ3      LYS  27  24.814 -16.222  -6.300
  241    H    TYR  28           HN       TYR  28  26.428 -19.124  -0.639
  242    HA   TYR  28           HA       TYR  28  27.519 -21.867  -0.364
  243    HB2  TYR  28           HB2      TYR  28  28.898 -20.876   1.112
  244    HB3  TYR  28           HB1      TYR  28  27.917 -19.416   1.185
  245    HD1  TYR  28           HD1      TYR  28  27.970 -22.976   2.314
  246    HD2  TYR  28           HD2      TYR  28  26.560 -18.991   3.054
  247    HE1  TYR  28           HE1      TYR  28  27.044 -23.710   4.497
  248    HE2  TYR  28           HE2      TYR  28  25.636 -19.717   5.235
  249    HH   TYR  28           HH       TYR  28  25.540 -23.099   6.151
  250    H    LEU  29           HN       LEU  29  25.118 -19.637   1.033
  251    HA   LEU  29           HA       LEU  29  23.709 -21.834   2.284
  252    HB2  LEU  29           HB2      LEU  29  23.982 -19.381   3.146
  253    HB3  LEU  29           HB1      LEU  29  22.628 -19.042   2.069
  254    HG   LEU  29           HG       LEU  29  21.724 -21.282   3.328
  255   HD11  LEU  29          HD11      LEU  29  23.297 -19.694   5.376
  256   HD12  LEU  29          HD12      LEU  29  23.700 -21.319   4.822
  257   HD13  LEU  29          HD13      LEU  29  22.211 -21.040   5.723
  258   HD21  LEU  29          HD21      LEU  29  20.368 -19.714   4.696
  259   HD22  LEU  29          HD22      LEU  29  20.484 -19.185   3.018
  260   HD23  LEU  29          HD23      LEU  29  21.467 -18.407   4.259
  261    H    GLN  30           HN       GLN  30  23.082 -19.507  -0.318
  262    HA   GLN  30           HA       GLN  30  20.523 -20.582  -0.985
  263    HB2  GLN  30           HB2      GLN  30  21.107 -18.287  -1.541
  264    HB3  GLN  30           HB1      GLN  30  22.424 -18.845  -2.569
  265    HG2  GLN  30           HG2      GLN  30  21.031 -19.502  -4.253
  266    HG3  GLN  30           HG1      GLN  30  19.745 -19.980  -3.146
  267   HE21  GLN  30          HE21      GLN  30  21.099 -16.794  -2.660
  268   HE22  GLN  30          HE22      GLN  30  19.804 -15.930  -3.334
  269    H    LYS  31           HN       LYS  31  23.560 -21.858  -1.303
  270    HA   LYS  31           HA       LYS  31  22.820 -23.425  -3.703
  271    HB2  LYS  31           HB2      LYS  31  25.334 -22.174  -2.845
  272    HB3  LYS  31           HB1      LYS  31  25.512 -23.863  -3.315
  273    HG2  LYS  31           HG2      LYS  31  25.825 -22.456  -5.277
  274    HG3  LYS  31           HG1      LYS  31  24.315 -23.349  -5.454
  275    HD2  LYS  31           HD2      LYS  31  23.716 -20.945  -4.050
  276    HD3  LYS  31           HD1      LYS  31  24.717 -20.507  -5.433
  277    HE2  LYS  31           HE2      LYS  31  23.193 -21.890  -6.888
  278    HE3  LYS  31           HE1      LYS  31  22.132 -22.088  -5.492
  279    HZ1  LYS  31           HZ1      LYS  31  22.433 -19.848  -7.228
  280    HZ2  LYS  31           HZ2      LYS  31  22.650 -19.404  -5.603
  281    HZ3  LYS  31           HZ3      LYS  31  21.217 -20.175  -6.091
  282    H    LYS  32           HN       LYS  32  22.510 -23.691  -0.565
  283    HA   LYS  32           HA       LYS  32  23.886 -25.783   0.491
  284    HB2  LYS  32           HB2      LYS  32  21.342 -24.579   0.949
  285    HB3  LYS  32           HB1      LYS  32  21.140 -26.332   1.019
  286    HG2  LYS  32           HG2      LYS  32  23.045 -26.478   2.598
  287    HG3  LYS  32           HG1      LYS  32  23.202 -24.722   2.556
  288    HD2  LYS  32           HD2      LYS  32  20.524 -25.886   3.222
  289    HD3  LYS  32           HD1      LYS  32  21.781 -25.915   4.459
  290    HE2  LYS  32           HE2      LYS  32  20.894 -23.439   2.950
  291    HE3  LYS  32           HE1      LYS  32  20.393 -23.856   4.587
  292    HZ1  LYS  32           HZ1      LYS  32  22.832 -22.681   3.687
  293    HZ2  LYS  32           HZ2      LYS  32  23.119 -24.073   4.619
  294    HZ3  LYS  32           HZ3      LYS  32  22.206 -22.791   5.260
  Start of MODEL   27
    1    H1   LYS   1           HT1      LYS   1  20.576  13.691  -4.688
    2    H2   LYS   1           HT2      LYS   1  20.573  14.444  -6.211
    3    H3   LYS   1           HT3      LYS   1  20.094  15.310  -4.831
    4    HA   LYS   1           HA       LYS   1  22.614  15.210  -5.939
    5    HB2  LYS   1           HB2      LYS   1  21.699  16.114  -3.190
    6    HB3  LYS   1           HB1      LYS   1  23.184  16.623  -3.994
    7    HG2  LYS   1           HG2      LYS   1  21.759  17.477  -5.898
    8    HG3  LYS   1           HG1      LYS   1  20.343  17.156  -4.896
    9    HD2  LYS   1           HD2      LYS   1  22.646  18.989  -4.166
   10    HD3  LYS   1           HD1      LYS   1  21.037  19.507  -4.674
   11    HE2  LYS   1           HE2      LYS   1  20.793  19.592  -2.367
   12    HE3  LYS   1           HE1      LYS   1  20.258  17.942  -2.685
   13    HZ1  LYS   1           HZ1      LYS   1  22.821  18.880  -1.582
   14    HZ2  LYS   1           HZ2      LYS   1  22.744  17.386  -2.389
   15    HZ3  LYS   1           HZ3      LYS   1  21.790  17.660  -1.009
   16    H    LYS   2           HN       LYS   2  21.629  13.979  -2.727
   17    HA   LYS   2           HA       LYS   2  23.392  11.709  -2.957
   18    HB2  LYS   2           HB2      LYS   2  24.948  13.575  -2.316
   19    HB3  LYS   2           HB1      LYS   2  24.012  13.778  -0.838
   20    HG2  LYS   2           HG2      LYS   2  25.920  12.367  -0.336
   21    HG3  LYS   2           HG1      LYS   2  24.465  11.375  -0.276
   22    HD2  LYS   2           HD2      LYS   2  25.131  10.094  -2.028
   23    HD3  LYS   2           HD1      LYS   2  25.703  11.485  -2.949
   24    HE2  LYS   2           HE2      LYS   2  27.199  10.382  -0.565
   25    HE3  LYS   2           HE1      LYS   2  27.502   9.839  -2.214
   26    HZ1  LYS   2           HZ1      LYS   2  27.715  12.343  -2.700
   27    HZ2  LYS   2           HZ2      LYS   2  29.012  11.542  -1.953
   28    HZ3  LYS   2           HZ3      LYS   2  27.952  12.497  -1.028
   29    H    HIS   3           HN       HIS   3  22.343  10.103  -2.031
   30    HA   HIS   3           HA       HIS   3  19.980  10.114  -0.708
   31    HB2  HIS   3           HB2      HIS   3  21.094   8.064  -1.416
   32    HB3  HIS   3           HB1      HIS   3  22.330   8.279  -0.180
   33    HD2  HIS   3           HD2      HIS   3  21.403   5.859   1.090
   34    HE1  HIS   3           HE1      HIS   3  17.756   7.526   2.403
   35    HE2  HIS   3           HE2      HIS   3  19.303   5.525   2.606
   36    H    THR   4           HN       THR   4  22.488   9.040   1.448
   37    HA   THR   4           HA       THR   4  22.135  11.329   3.235
   38    HB   THR   4           HB       THR   4  20.360   9.890   3.996
   39    HG1  THR   4           HG1      THR   4  22.216   9.090   5.844
   40   HG21  THR   4          HG21      THR   4  22.081   7.816   3.101
   41   HG22  THR   4          HG22      THR   4  20.447   7.664   3.743
   42   HG23  THR   4          HG23      THR   4  21.826   7.564   4.827
   43    H    ILE   5           HN       ILE   5  23.186   8.741   4.987
   44    HA   ILE   5           HA       ILE   5  25.993   9.514   4.577
   45    HB   ILE   5           HB       ILE   5  26.255   8.156   6.759
   46   HG12  ILE   5          HG12      ILE   5  23.435   8.826   7.349
   47   HG13  ILE   5          HG11      ILE   5  23.667   7.466   6.251
   48   HG21  ILE   5          HG21      ILE   5  24.646  10.728   6.690
   49   HG22  ILE   5          HG22      ILE   5  26.404  10.606   6.648
   50   HG23  ILE   5          HG23      ILE   5  25.521  10.116   8.094
   51   HD11  ILE   5          HD11      ILE   5  23.614   6.737   8.620
   52   HD12  ILE   5          HD12      ILE   5  25.011   7.765   8.945
   53   HD13  ILE   5          HD13      ILE   5  25.163   6.388   7.854
   54    H    TRP   6           HN       TRP   6  23.745   6.888   4.289
   55    HA   TRP   6           HA       TRP   6  25.277   4.624   4.280
   56    HB2  TRP   6           HB2      TRP   6  22.796   5.463   3.078
   57    HB3  TRP   6           HB1      TRP   6  23.683   4.425   1.963
   58    HD1  TRP   6           HD1      TRP   6  22.556   2.152   2.241
   59    HE1  TRP   6           HE1      TRP   6  22.094   0.565   4.213
   60    HE3  TRP   6           HE3      TRP   6  23.948   5.154   6.119
   61    HZ2  TRP   6           HZ2      TRP   6  22.290   0.570   7.061
   62    HZ3  TRP   6           HZ3      TRP   6  23.802   4.341   8.456
   63    HH2  TRP   6           HH2      TRP   6  22.975   2.053   8.932
   64    H    GLU   7           HN       GLU   7  24.750   6.704   1.426
   65    HA   GLU   7           HA       GLU   7  26.603   5.402  -0.243
   66    HB2  GLU   7           HB2      GLU   7  24.886   7.664  -0.375
   67    HB3  GLU   7           HB1      GLU   7  26.488   8.172  -0.909
   68    HG2  GLU   7           HG2      GLU   7  25.004   5.738  -1.942
   69    HG3  GLU   7           HG1      GLU   7  25.114   7.283  -2.783
   70    H    VAL   8           HN       VAL   8  27.276   6.874   2.585
   71    HA   VAL   8           HA       VAL   8  29.934   7.813   1.695
   72    HB   VAL   8           HB       VAL   8  28.656   8.589   4.306
   73   HG11  VAL   8          HG11      VAL   8  30.234  10.380   4.233
   74   HG12  VAL   8          HG12      VAL   8  30.599  10.082   2.535
   75   HG13  VAL   8          HG13      VAL   8  31.128   8.934   3.764
   76   HG21  VAL   8          HG21      VAL   8  27.065   9.208   2.526
   77   HG22  VAL   8          HG22      VAL   8  28.371   9.970   1.616
   78   HG23  VAL   8          HG23      VAL   8  27.862  10.648   3.163
   79    H    ILE   9           HN       ILE   9  28.148   5.869   4.025
   80    HA   ILE   9           HA       ILE   9  30.698   4.706   4.944
   81    HB   ILE   9           HB       ILE   9  29.871   5.601   6.884
   82   HG12  ILE   9          HG12      ILE   9  29.714   2.903   6.835
   83   HG13  ILE   9          HG11      ILE   9  29.347   3.860   8.256
   84   HG21  ILE   9          HG21      ILE   9  27.377   5.667   7.396
   85   HG22  ILE   9          HG22      ILE   9  27.131   5.176   5.718
   86   HG23  ILE   9          HG23      ILE   9  27.952   6.691   6.087
   87   HD11  ILE   9          HD11      ILE   9  27.616   2.084   7.585
   88   HD12  ILE   9          HD12      ILE   9  27.193   3.160   6.260
   89   HD13  ILE   9          HD13      ILE   9  27.010   3.704   7.922
   90    H    ALA  10           HN       ALA  10  27.328   4.053   4.096
   91    HA   ALA  10           HA       ALA  10  27.669   1.195   4.138
   92    HB1  ALA  10           HB1      ALA  10  25.463   2.300   4.457
   93    HB2  ALA  10           HB2      ALA  10  25.449   1.112   3.155
   94    HB3  ALA  10           HB3      ALA  10  25.519   2.833   2.778
   95    H    GLY  11           HN       GLY  11  26.881   3.362   1.404
   96    HA2  GLY  11           HA2      GLY  11  27.519   1.628  -0.655
   97    HA3  GLY  11           HA1      GLY  11  27.667   3.381  -0.768
   98    H    LEU  12           HN       LEU  12  29.533   2.989   1.695
   99    HA   LEU  12           HA       LEU  12  31.957   2.603   0.089
  100    HB2  LEU  12           HB2      LEU  12  31.554   4.740   1.442
  101    HB3  LEU  12           HB1      LEU  12  31.822   3.748   2.877
  102    HG   LEU  12           HG       LEU  12  33.956   3.000   1.372
  103   HD11  LEU  12          HD11      LEU  12  34.904   4.968   0.294
  104   HD12  LEU  12          HD12      LEU  12  33.522   5.945   0.788
  105   HD13  LEU  12          HD13      LEU  12  33.311   4.654  -0.394
  106   HD21  LEU  12          HD21      LEU  12  33.697   5.374   3.243
  107   HD22  LEU  12          HD22      LEU  12  35.239   4.679   2.744
  108   HD23  LEU  12          HD23      LEU  12  34.102   3.715   3.685
  109    H    VAL  13           HN       VAL  13  30.142   1.326   2.782
  110    HA   VAL  13           HA       VAL  13  32.302  -0.628   3.314
  111    HB   VAL  13           HB       VAL  13  29.980   0.196   5.072
  112   HG11  VAL  13          HG11      VAL  13  32.157  -1.879   5.341
  113   HG12  VAL  13          HG12      VAL  13  30.419  -2.079   5.565
  114   HG13  VAL  13          HG13      VAL  13  31.364  -1.186   6.756
  115   HG21  VAL  13          HG21      VAL  13  32.160   1.675   4.652
  116   HG22  VAL  13          HG22      VAL  13  32.874   0.519   5.778
  117   HG23  VAL  13          HG23      VAL  13  31.488   1.491   6.272
  118    H    ALA  14           HN       ALA  14  28.739  -0.408   3.165
  119    HA   ALA  14           HA       ALA  14  28.055  -3.051   3.222
  120    HB1  ALA  14           HB1      ALA  14  26.102  -2.496   1.915
  121    HB2  ALA  14           HB2      ALA  14  26.901  -1.076   1.242
  122    HB3  ALA  14           HB3      ALA  14  26.473  -1.119   2.952
  123    H    LEU  15           HN       LEU  15  29.174  -1.242   0.364
  124    HA   LEU  15           HA       LEU  15  29.064  -3.435  -1.426
  125    HB2  LEU  15           HB2      LEU  15  30.895  -1.026  -1.538
  126    HB3  LEU  15           HB1      LEU  15  30.451  -2.071  -2.890
  127    HG   LEU  15           HG       LEU  15  28.518  -0.406  -1.257
  128   HD11  LEU  15          HD11      LEU  15  30.243   0.586  -3.086
  129   HD12  LEU  15          HD12      LEU  15  28.608   1.216  -2.881
  130   HD13  LEU  15          HD13      LEU  15  28.950   0.057  -4.164
  131   HD21  LEU  15          HD21      LEU  15  27.105  -1.054  -3.408
  132   HD22  LEU  15          HD22      LEU  15  27.196  -2.151  -2.030
  133   HD23  LEU  15          HD23      LEU  15  28.209  -2.429  -3.447
  134    H    LEU  16           HN       LEU  16  31.382  -2.338   0.910
  135    HA   LEU  16           HA       LEU  16  33.342  -4.349   0.056
  136    HB2  LEU  16           HB2      LEU  16  33.670  -2.342   2.279
  137    HB3  LEU  16           HB1      LEU  16  34.927  -3.188   1.375
  138    HG   LEU  16           HG       LEU  16  33.034  -1.082   0.298
  139   HD11  LEU  16          HD11      LEU  16  34.941   0.312   0.119
  140   HD12  LEU  16          HD12      LEU  16  36.052  -1.041   0.340
  141   HD13  LEU  16          HD13      LEU  16  35.106  -0.445   1.704
  142   HD21  LEU  16          HD21      LEU  16  34.962  -2.971  -1.041
  143   HD22  LEU  16          HD22      LEU  16  34.589  -1.404  -1.761
  144   HD23  LEU  16          HD23      LEU  16  33.303  -2.581  -1.494
  145    H    THR  17           HN       THR  17  30.657  -4.494   1.725
  146    HA   THR  17           HA       THR  17  31.693  -6.513   3.582
  147    HB   THR  17           HB       THR  17  30.086  -4.084   4.342
  148    HG1  THR  17           HG1      THR  17  31.652  -3.975   5.916
  149   HG21  THR  17          HG21      THR  17  29.823  -5.372   6.575
  150   HG22  THR  17          HG22      THR  17  30.093  -6.818   5.604
  151   HG23  THR  17          HG23      THR  17  28.720  -5.768   5.258
  152    H    PHE  18           HN       PHE  18  28.552  -4.923   3.043
  153    HA   PHE  18           HA       PHE  18  26.956  -7.166   3.272
  154    HB2  PHE  18           HB2      PHE  18  26.352  -4.639   2.948
  155    HB3  PHE  18           HB1      PHE  18  26.286  -5.066   1.240
  156    HD1  PHE  18           HD2      PHE  18  25.109  -6.319   4.572
  157    HD2  PHE  18           HD1      PHE  18  24.286  -5.922   0.375
  158    HE1  PHE  18           HE2      PHE  18  22.868  -7.323   4.916
  159    HE2  PHE  18           HE1      PHE  18  22.046  -6.926   0.718
  160    HZ   PHE  18           HZ       PHE  18  21.336  -7.629   2.988
  161    H    LEU  19           HN       LEU  19  28.525  -5.880   0.352
  162    HA   LEU  19           HA       LEU  19  27.517  -8.023  -1.315
  163    HB2  LEU  19           HB2      LEU  19  29.402  -5.717  -1.729
  164    HB3  LEU  19           HB1      LEU  19  29.259  -6.984  -2.943
  165    HG   LEU  19           HG       LEU  19  27.739  -4.988  -3.308
  166   HD11  LEU  19          HD11      LEU  19  26.380  -6.404  -4.421
  167   HD12  LEU  19          HD12      LEU  19  25.733  -7.052  -2.915
  168   HD13  LEU  19          HD13      LEU  19  27.200  -7.736  -3.609
  169   HD21  LEU  19          HD21      LEU  19  26.179  -6.128  -0.984
  170   HD22  LEU  19          HD22      LEU  19  25.889  -4.619  -1.852
  171   HD23  LEU  19          HD23      LEU  19  27.296  -4.778  -0.803
  172    H    ALA  20           HN       ALA  20  30.672  -7.069   0.024
  173    HA   ALA  20           HA       ALA  20  32.351  -8.939  -1.022
  174    HB1  ALA  20           HB1      ALA  20  32.498  -8.532   1.932
  175    HB2  ALA  20           HB2      ALA  20  32.672  -7.124   0.884
  176    HB3  ALA  20           HB3      ALA  20  33.782  -8.484   0.725
  177    H    PHE  21           HN       PHE  21  30.409  -9.445   1.940
  178    HA   PHE  21           HA       PHE  21  30.997 -12.289   1.881
  179    HB2  PHE  21           HB2      PHE  21  29.120 -10.808   3.729
  180    HB3  PHE  21           HB1      PHE  21  29.840 -12.397   3.983
  181    HD1  PHE  21           HD2      PHE  21  32.537 -12.372   3.647
  182    HD2  PHE  21           HD1      PHE  21  30.123  -9.039   4.871
  183    HE1  PHE  21           HE2      PHE  21  34.525 -11.316   4.687
  184    HE2  PHE  21           HE1      PHE  21  32.108  -7.981   5.911
  185    HZ   PHE  21           HZ       PHE  21  34.310  -9.120   5.819
  186    H    GLY  22           HN       GLY  22  28.317 -10.123   1.186
  187    HA2  GLY  22           HA2      GLY  22  26.204 -11.930   1.029
  188    HA3  GLY  22           HA1      GLY  22  26.343 -10.470   0.053
  189    H    PHE  23           HN       PHE  23  28.581 -11.029  -1.458
  190    HA   PHE  23           HA       PHE  23  27.566 -12.493  -3.592
  191    HB2  PHE  23           HB2      PHE  23  30.101 -11.256  -2.891
  192    HB3  PHE  23           HB1      PHE  23  30.339 -12.746  -3.804
  193    HD1  PHE  23           HD1      PHE  23  28.543 -13.049  -5.803
  194    HD2  PHE  23           HD2      PHE  23  29.835  -9.303  -4.141
  195    HE1  PHE  23           HE1      PHE  23  27.868 -11.888  -7.890
  196    HE2  PHE  23           HE2      PHE  23  29.162  -8.144  -6.224
  197    HZ   PHE  23           HZ       PHE  23  28.175  -9.437  -8.099
  198    H    TRP  24           HN       TRP  24  28.896 -13.585  -0.649
  199    HA   TRP  24           HA       TRP  24  29.326 -16.291  -1.729
  200    HB2  TRP  24           HB2      TRP  24  31.251 -15.536  -0.529
  201    HB3  TRP  24           HB1      TRP  24  30.261 -14.971   0.820
  202    HD1  TRP  24           HD1      TRP  24  30.632 -18.316  -1.084
  203    HE1  TRP  24           HE1      TRP  24  30.670 -20.229   0.650
  204    HE3  TRP  24           HE3      TRP  24  30.158 -15.613   3.204
  205    HZ2  TRP  24           HZ2      TRP  24  30.518 -20.559   3.483
  206    HZ3  TRP  24           HZ3      TRP  24  30.106 -16.745   5.413
  207    HH2  TRP  24           HH2      TRP  24  30.285 -19.213   5.556
  208    H    LEU  25           HN       LEU  25  28.396 -15.100   1.469
  209    HA   LEU  25           HA       LEU  25  27.001 -16.950   2.638
  210    HB2  LEU  25           HB2      LEU  25  26.369 -14.079   2.299
  211    HB3  LEU  25           HB1      LEU  25  25.085 -15.088   2.966
  212    HG   LEU  25           HG       LEU  25  27.890 -15.316   4.030
  213   HD11  LEU  25          HD11      LEU  25  25.792 -13.278   4.835
  214   HD12  LEU  25          HD12      LEU  25  27.388 -12.935   4.168
  215   HD13  LEU  25          HD13      LEU  25  27.238 -13.645   5.775
  216   HD21  LEU  25          HD21      LEU  25  25.459 -15.472   5.731
  217   HD22  LEU  25          HD22      LEU  25  26.897 -16.494   5.728
  218   HD23  LEU  25          HD23      LEU  25  25.632 -16.745   4.524
  219    H    PHE  26           HN       PHE  26  25.311 -15.045   0.121
  220    HA   PHE  26           HA       PHE  26  23.118 -16.900   0.048
  221    HB2  PHE  26           HB2      PHE  26  23.737 -14.896  -2.108
  222    HB3  PHE  26           HB1      PHE  26  22.165 -15.469  -1.553
  223    HD1  PHE  26           HD2      PHE  26  22.026 -15.210   1.223
  224    HD2  PHE  26           HD1      PHE  26  24.147 -12.675  -1.522
  225    HE1  PHE  26           HE2      PHE  26  21.911 -13.348   2.853
  226    HE2  PHE  26           HE1      PHE  26  24.032 -10.815   0.110
  227    HZ   PHE  26           HZ       PHE  26  22.919 -11.152   2.298
  228    H    LYS  27           HN       LYS  27  25.397 -15.944  -2.527
  229    HA   LYS  27           HA       LYS  27  24.830 -17.908  -4.351
  230    HB2  LYS  27           HB2      LYS  27  27.658 -17.003  -3.810
  231    HB3  LYS  27           HB1      LYS  27  26.943 -17.480  -5.349
  232    HG2  LYS  27           HG2      LYS  27  26.305 -14.992  -3.737
  233    HG3  LYS  27           HG1      LYS  27  27.070 -15.068  -5.324
  234    HD2  LYS  27           HD2      LYS  27  24.898 -16.297  -6.059
  235    HD3  LYS  27           HD1      LYS  27  24.204 -15.621  -4.584
  236    HE2  LYS  27           HE2      LYS  27  25.426 -13.415  -5.595
  237    HE3  LYS  27           HE1      LYS  27  25.017 -14.257  -7.088
  238    HZ1  LYS  27           HZ1      LYS  27  22.767 -14.540  -5.658
  239    HZ2  LYS  27           HZ2      LYS  27  23.030 -13.304  -6.794
  240    HZ3  LYS  27           HZ3      LYS  27  23.286 -13.011  -5.141
  241    H    TYR  28           HN       TYR  28  26.035 -18.440  -1.241
  242    HA   TYR  28           HA       TYR  28  27.049 -21.122  -2.006
  243    HB2  TYR  28           HB2      TYR  28  28.894 -20.476  -0.892
  244    HB3  TYR  28           HB1      TYR  28  28.075 -19.103  -0.151
  245    HD1  TYR  28           HD2      TYR  28  28.309 -22.827   0.023
  246    HD2  TYR  28           HD1      TYR  28  27.439 -19.178   2.109
  247    HE1  TYR  28           HE2      TYR  28  28.124 -24.088   2.154
  248    HE2  TYR  28           HE1      TYR  28  27.255 -20.431   4.237
  249    HH   TYR  28           HH       TYR  28  28.399 -23.506   4.662
  250    H    LEU  29           HN       LEU  29  25.387 -19.355   0.609
  251    HA   LEU  29           HA       LEU  29  24.332 -21.827   1.695
  252    HB2  LEU  29           HB2      LEU  29  25.040 -19.663   2.980
  253    HB3  LEU  29           HB1      LEU  29  23.430 -19.090   2.543
  254    HG   LEU  29           HG       LEU  29  22.840 -21.590   3.442
  255   HD11  LEU  29          HD11      LEU  29  25.110 -20.566   5.172
  256   HD12  LEU  29          HD12      LEU  29  25.207 -21.966   4.102
  257   HD13  LEU  29          HD13      LEU  29  24.120 -21.991   5.490
  258   HD21  LEU  29          HD21      LEU  29  21.689 -19.565   4.133
  259   HD22  LEU  29          HD22      LEU  29  23.108 -19.019   5.027
  260   HD23  LEU  29          HD23      LEU  29  22.207 -20.431   5.580
  261    H    GLN  30           HN       GLN  30  23.114 -19.007  -0.063
  262    HA   GLN  30           HA       GLN  30  20.379 -19.926  -0.023
  263    HB2  GLN  30           HB2      GLN  30  20.873 -17.540  -0.112
  264    HB3  GLN  30           HB1      GLN  30  21.735 -17.755  -1.632
  265    HG2  GLN  30           HG2      GLN  30  19.828 -17.948  -2.854
  266    HG3  GLN  30           HG1      GLN  30  18.979 -18.823  -1.582
  267   HE21  GLN  30          HE21      GLN  30  20.549 -15.779  -0.773
  268   HE22  GLN  30          HE22      GLN  30  19.123 -14.871  -0.625
  269    H    LYS  31           HN       LYS  31  23.137 -20.706  -1.815
  270    HA   LYS  31           HA       LYS  31  21.492 -21.841  -4.000
  271    HB2  LYS  31           HB2      LYS  31  24.169 -20.514  -4.001
  272    HB3  LYS  31           HB1      LYS  31  23.887 -21.821  -5.149
  273    HG2  LYS  31           HG2      LYS  31  23.302 -19.632  -6.132
  274    HG3  LYS  31           HG1      LYS  31  21.882 -20.666  -5.989
  275    HD2  LYS  31           HD2      LYS  31  20.932 -19.374  -4.348
  276    HD3  LYS  31           HD1      LYS  31  22.491 -18.906  -3.668
  277    HE2  LYS  31           HE2      LYS  31  22.881 -17.392  -5.564
  278    HE3  LYS  31           HE1      LYS  31  21.346 -17.877  -6.281
  279    HZ1  LYS  31           HZ1      LYS  31  21.266 -15.774  -4.983
  280    HZ2  LYS  31           HZ2      LYS  31  21.590 -16.675  -3.580
  281    HZ3  LYS  31           HZ3      LYS  31  20.164 -16.953  -4.461
  282    H    LYS  32           HN       LYS  32  21.294 -23.542  -2.198
  283    HA   LYS  32           HA       LYS  32  23.243 -25.635  -2.785
  284    HB2  LYS  32           HB2      LYS  32  23.556 -26.180  -0.396
  285    HB3  LYS  32           HB1      LYS  32  24.177 -24.575  -0.787
  286    HG2  LYS  32           HG2      LYS  32  22.918 -23.854   0.951
  287    HG3  LYS  32           HG1      LYS  32  21.544 -24.052  -0.138
  288    HD2  LYS  32           HD2      LYS  32  21.252 -26.374   0.656
  289    HD3  LYS  32           HD1      LYS  32  22.615 -26.166   1.755
  290    HE2  LYS  32           HE2      LYS  32  21.455 -24.666   3.125
  291    HE3  LYS  32           HE1      LYS  32  20.314 -24.236   1.852
  292    HZ1  LYS  32           HZ1      LYS  32  19.193 -26.259   2.081
  293    HZ2  LYS  32           HZ2      LYS  32  19.475 -25.751   3.676
  294    HZ3  LYS  32           HZ3      LYS  32  20.442 -26.964   2.986
  Start of MODEL   28
    1    H1   LYS   1           HT1      LYS   1  25.102  16.798   0.950
    2    H2   LYS   1           HT2      LYS   1  24.141  18.194   1.060
    3    H3   LYS   1           HT3      LYS   1  23.856  17.059  -0.171
    4    HA   LYS   1           HA       LYS   1  23.715  16.132   2.598
    5    HB2  LYS   1           HB2      LYS   1  21.183  16.806   2.387
    6    HB3  LYS   1           HB1      LYS   1  22.354  17.991   2.959
    7    HG2  LYS   1           HG2      LYS   1  20.858  18.956   1.241
    8    HG3  LYS   1           HG1      LYS   1  22.532  18.935   0.691
    9    HD2  LYS   1           HD2      LYS   1  22.153  17.115  -0.766
   10    HD3  LYS   1           HD1      LYS   1  20.658  16.659   0.054
   11    HE2  LYS   1           HE2      LYS   1  20.782  19.390  -1.136
   12    HE3  LYS   1           HE1      LYS   1  20.644  18.029  -2.249
   13    HZ1  LYS   1           HZ1      LYS   1  18.560  19.173  -1.061
   14    HZ2  LYS   1           HZ2      LYS   1  18.900  17.951   0.069
   15    HZ3  LYS   1           HZ3      LYS   1  18.578  17.549  -1.550
   16    H    LYS   2           HN       LYS   2  24.181  15.262  -0.299
   17    HA   LYS   2           HA       LYS   2  22.082  13.926  -1.445
   18    HB2  LYS   2           HB2      LYS   2  23.812  12.197  -2.144
   19    HB3  LYS   2           HB1      LYS   2  24.196  13.872  -2.541
   20    HG2  LYS   2           HG2      LYS   2  26.030  13.846  -1.231
   21    HG3  LYS   2           HG1      LYS   2  25.127  13.172   0.126
   22    HD2  LYS   2           HD2      LYS   2  25.334  10.919  -0.829
   23    HD3  LYS   2           HD1      LYS   2  26.196  11.576  -2.221
   24    HE2  LYS   2           HE2      LYS   2  27.118  11.680   0.666
   25    HE3  LYS   2           HE1      LYS   2  27.804  10.677  -0.613
   26    HZ1  LYS   2           HZ1      LYS   2  28.200  13.472  -0.061
   27    HZ2  LYS   2           HZ2      LYS   2  27.858  13.150  -1.694
   28    HZ3  LYS   2           HZ3      LYS   2  29.174  12.391  -0.932
   29    H    HIS   3           HN       HIS   3  20.819  12.229  -0.962
   30    HA   HIS   3           HA       HIS   3  19.765  10.720   0.446
   31    HB2  HIS   3           HB2      HIS   3  21.529   9.424  -0.850
   32    HB3  HIS   3           HB1      HIS   3  22.528   9.514   0.600
   33    HD2  HIS   3           HD2      HIS   3  22.055   6.599   0.746
   34    HE1  HIS   3           HE1      HIS   3  18.122   7.078   2.202
   35    HE2  HIS   3           HE2      HIS   3  20.010   5.415   1.855
   36    H    THR   4           HN       THR   4  21.938   9.307   2.319
   37    HA   THR   4           HA       THR   4  21.698  11.267   4.524
   38    HB   THR   4           HB       THR   4  20.087   9.556   4.989
   39    HG1  THR   4           HG1      THR   4  21.989  10.103   6.544
   40   HG21  THR   4          HG21      THR   4  20.318   7.538   4.032
   41   HG22  THR   4          HG22      THR   4  21.607   7.179   5.180
   42   HG23  THR   4          HG23      THR   4  21.994   7.891   3.613
   43    H    ILE   5           HN       ILE   5  23.030   8.363   5.496
   44    HA   ILE   5           HA       ILE   5  25.771   9.428   5.191
   45    HB   ILE   5           HB       ILE   5  26.191   7.892   7.222
   46   HG12  ILE   5          HG12      ILE   5  23.395   8.344   8.036
   47   HG13  ILE   5          HG11      ILE   5  23.585   7.147   6.754
   48   HG21  ILE   5          HG21      ILE   5  24.553  10.433   7.317
   49   HG22  ILE   5          HG22      ILE   5  26.301  10.268   7.480
   50   HG23  ILE   5          HG23      ILE   5  25.237   9.687   8.761
   51   HD11  ILE   5          HD11      ILE   5  25.292   7.101   9.242
   52   HD12  ILE   5          HD12      ILE   5  25.037   5.808   8.070
   53   HD13  ILE   5          HD13      ILE   5  23.734   6.277   9.164
   54    H    TRP   6           HN       TRP   6  23.639   6.774   4.609
   55    HA   TRP   6           HA       TRP   6  25.235   4.569   4.395
   56    HB2  TRP   6           HB2      TRP   6  22.773   5.474   3.194
   57    HB3  TRP   6           HB1      TRP   6  23.730   4.578   2.015
   58    HD1  TRP   6           HD1      TRP   6  22.655   2.259   2.020
   59    HE1  TRP   6           HE1      TRP   6  22.173   0.469   3.804
   60    HE3  TRP   6           HE3      TRP   6  23.831   4.887   6.227
   61    HZ2  TRP   6           HZ2      TRP   6  22.275   0.190   6.644
   62    HZ3  TRP   6           HZ3      TRP   6  23.631   3.838   8.464
   63    HH2  TRP   6           HH2      TRP   6  22.855   1.492   8.679
   64    H    GLU   7           HN       GLU   7  24.736   6.912   1.744
   65    HA   GLU   7           HA       GLU   7  26.651   5.848   0.004
   66    HB2  GLU   7           HB2      GLU   7  25.025   8.223   0.188
   67    HB3  GLU   7           HB1      GLU   7  26.630   8.618  -0.424
   68    HG2  GLU   7           HG2      GLU   7  24.914   6.367  -1.502
   69    HG3  GLU   7           HG1      GLU   7  24.994   7.975  -2.222
   70    H    VAL   8           HN       VAL   8  27.171   7.189   3.005
   71    HA   VAL   8           HA       VAL   8  29.869   8.151   2.308
   72    HB   VAL   8           HB       VAL   8  28.516   8.544   4.969
   73   HG11  VAL   8          HG11      VAL   8  31.060   8.944   4.348
   74   HG12  VAL   8          HG12      VAL   8  30.189  10.102   5.353
   75   HG13  VAL   8          HG13      VAL   8  30.424  10.426   3.635
   76   HG21  VAL   8          HG21      VAL   8  27.021   9.437   3.213
   77   HG22  VAL   8          HG22      VAL   8  28.373  10.322   2.511
   78   HG23  VAL   8          HG23      VAL   8  27.778  10.749   4.115
   79    H    ILE   9           HN       ILE   9  28.093   5.918   4.389
   80    HA   ILE   9           HA       ILE   9  30.652   4.670   5.153
   81    HB   ILE   9           HB       ILE   9  29.754   5.301   7.174
   82   HG12  ILE   9          HG12      ILE   9  29.732   2.617   6.759
   83   HG13  ILE   9          HG11      ILE   9  29.347   3.366   8.294
   84   HG21  ILE   9          HG21      ILE   9  27.262   5.185   7.648
   85   HG22  ILE   9          HG22      ILE   9  27.050   4.864   5.925
   86   HG23  ILE   9          HG23      ILE   9  27.785   6.372   6.461
   87   HD11  ILE   9          HD11      ILE   9  27.008   3.161   7.955
   88   HD12  ILE   9          HD12      ILE   9  27.680   1.619   7.434
   89   HD13  ILE   9          HD13      ILE   9  27.199   2.816   6.240
   90    H    ALA  10           HN       ALA  10  27.283   4.019   4.240
   91    HA   ALA  10           HA       ALA  10  27.685   1.205   3.904
   92    HB1  ALA  10           HB1      ALA  10  25.553   2.965   2.673
   93    HB2  ALA  10           HB2      ALA  10  25.458   2.247   4.282
   94    HB3  ALA  10           HB3      ALA  10  25.497   1.212   2.856
   95    H    GLY  11           HN       GLY  11  26.941   3.663   1.412
   96    HA2  GLY  11           HA2      GLY  11  27.663   2.170  -0.807
   97    HA3  GLY  11           HA1      GLY  11  27.774   3.928  -0.726
   98    H    LEU  12           HN       LEU  12  29.584   3.300   1.729
   99    HA   LEU  12           HA       LEU  12  32.055   3.124   0.155
  100    HB2  LEU  12           HB2      LEU  12  31.572   5.117   1.691
  101    HB3  LEU  12           HB1      LEU  12  31.842   4.000   3.030
  102    HG   LEU  12           HG       LEU  12  34.024   3.416   1.593
  103   HD11  LEU  12          HD11      LEU  12  34.913   5.310   0.434
  104   HD12  LEU  12          HD12      LEU  12  33.637   6.366   1.039
  105   HD13  LEU  12          HD13      LEU  12  33.261   5.122  -0.153
  106   HD21  LEU  12          HD21      LEU  12  33.624   5.767   3.467
  107   HD22  LEU  12          HD22      LEU  12  35.212   5.174   2.981
  108   HD23  LEU  12          HD23      LEU  12  34.123   4.132   3.897
  109    H    VAL  13           HN       VAL  13  30.194   1.562   2.648
  110    HA   VAL  13           HA       VAL  13  32.352  -0.442   2.990
  111    HB   VAL  13           HB       VAL  13  30.136   0.259   4.934
  112   HG11  VAL  13          HG11      VAL  13  32.364  -1.773   4.924
  113   HG12  VAL  13          HG12      VAL  13  30.652  -2.024   5.260
  114   HG13  VAL  13          HG13      VAL  13  31.667  -1.185   6.434
  115   HG21  VAL  13          HG21      VAL  13  32.225   1.845   4.508
  116   HG22  VAL  13          HG22      VAL  13  33.068   0.625   5.461
  117   HG23  VAL  13          HG23      VAL  13  31.696   1.489   6.152
  118    H    ALA  14           HN       ALA  14  28.793  -0.127   3.129
  119    HA   ALA  14           HA       ALA  14  28.045  -2.749   2.982
  120    HB1  ALA  14           HB1      ALA  14  26.051  -1.994   1.709
  121    HB2  ALA  14           HB2      ALA  14  26.836  -0.437   1.442
  122    HB3  ALA  14           HB3      ALA  14  26.408  -0.940   3.078
  123    H    LEU  15           HN       LEU  15  29.103  -0.698   0.281
  124    HA   LEU  15           HA       LEU  15  28.746  -2.693  -1.714
  125    HB2  LEU  15           HB2      LEU  15  28.951  -0.252  -2.203
  126    HB3  LEU  15           HB1      LEU  15  30.648  -0.334  -1.735
  127    HG   LEU  15           HG       LEU  15  31.036  -2.037  -3.508
  128   HD11  LEU  15          HD11      LEU  15  28.082  -1.699  -3.807
  129   HD12  LEU  15          HD12      LEU  15  29.072  -3.146  -3.994
  130   HD13  LEU  15          HD13      LEU  15  29.027  -1.936  -5.276
  131   HD21  LEU  15          HD21      LEU  15  29.977   0.700  -4.117
  132   HD22  LEU  15          HD22      LEU  15  30.372  -0.371  -5.460
  133   HD23  LEU  15          HD23      LEU  15  31.616   0.072  -4.290
  134    H    LEU  16           HN       LEU  16  31.333  -1.847   0.487
  135    HA   LEU  16           HA       LEU  16  33.181  -3.745  -0.732
  136    HB2  LEU  16           HB2      LEU  16  33.583  -2.207   1.831
  137    HB3  LEU  16           HB1      LEU  16  34.813  -2.892   0.769
  138    HG   LEU  16           HG       LEU  16  32.949  -0.594   0.119
  139   HD11  LEU  16          HD11      LEU  16  34.918   0.766   0.136
  140   HD12  LEU  16          HD12      LEU  16  35.972  -0.645   0.229
  141   HD13  LEU  16          HD13      LEU  16  34.978  -0.193   1.614
  142   HD21  LEU  16          HD21      LEU  16  33.202  -1.728  -1.930
  143   HD22  LEU  16          HD22      LEU  16  34.851  -2.228  -1.552
  144   HD23  LEU  16          HD23      LEU  16  34.512  -0.548  -1.965
  145    H    THR  17           HN       THR  17  30.610  -3.913   1.333
  146    HA   THR  17           HA       THR  17  31.718  -6.245   2.774
  147    HB   THR  17           HB       THR  17  29.814  -4.102   3.604
  148    HG1  THR  17           HG1      THR  17  31.278  -5.284   5.504
  149   HG21  THR  17          HG21      THR  17  29.734  -6.994   4.450
  150   HG22  THR  17          HG22      THR  17  28.389  -5.945   4.002
  151   HG23  THR  17          HG23      THR  17  29.219  -5.709   5.539
  152    H    PHE  18           HN       PHE  18  28.512  -4.994   1.820
  153    HA   PHE  18           HA       PHE  18  27.080  -7.304   1.746
  154    HB2  PHE  18           HB2      PHE  18  26.453  -4.848   1.033
  155    HB3  PHE  18           HB1      PHE  18  26.797  -5.452  -0.590
  156    HD1  PHE  18           HD1      PHE  18  24.755  -6.054   2.467
  157    HD2  PHE  18           HD2      PHE  18  25.285  -6.916  -1.707
  158    HE1  PHE  18           HE1      PHE  18  22.545  -7.176   2.418
  159    HE2  PHE  18           HE2      PHE  18  23.075  -8.039  -1.756
  160    HZ   PHE  18           HZ       PHE  18  21.704  -8.169   0.306
  161    H    LEU  19           HN       LEU  19  29.144  -6.093  -0.899
  162    HA   LEU  19           HA       LEU  19  28.691  -8.376  -2.571
  163    HB2  LEU  19           HB2      LEU  19  30.655  -6.092  -2.606
  164    HB3  LEU  19           HB1      LEU  19  30.800  -7.425  -3.747
  165    HG   LEU  19           HG       LEU  19  29.467  -5.466  -4.614
  166   HD11  LEU  19          HD11      LEU  19  28.321  -6.915  -5.913
  167   HD12  LEU  19          HD12      LEU  19  27.380  -7.507  -4.546
  168   HD13  LEU  19          HD13      LEU  19  28.964  -8.198  -4.890
  169   HD21  LEU  19          HD21      LEU  19  28.432  -5.073  -2.294
  170   HD22  LEU  19          HD22      LEU  19  27.336  -6.395  -2.689
  171   HD23  LEU  19          HD23      LEU  19  27.347  -4.937  -3.679
  172    H    ALA  20           HN       ALA  20  30.783  -7.733   0.094
  173    HA   ALA  20           HA       ALA  20  32.724  -9.761  -0.640
  174    HB1  ALA  20           HB1      ALA  20  33.998  -8.752   0.905
  175    HB2  ALA  20           HB2      ALA  20  32.781  -9.008   2.155
  176    HB3  ALA  20           HB3      ALA  20  32.699  -7.581   1.122
  177    H    PHE  21           HN       PHE  21  30.164  -9.392   1.818
  178    HA   PHE  21           HA       PHE  21  30.448 -12.157   2.654
  179    HB2  PHE  21           HB2      PHE  21  28.541  -9.945   3.437
  180    HB3  PHE  21           HB1      PHE  21  28.452 -11.579   4.096
  181    HD1  PHE  21           HD1      PHE  21  30.905  -8.803   3.535
  182    HD2  PHE  21           HD2      PHE  21  29.714 -12.117   5.994
  183    HE1  PHE  21           HE1      PHE  21  32.695  -8.240   5.157
  184    HE2  PHE  21           HE2      PHE  21  31.504 -11.555   7.617
  185    HZ   PHE  21           HZ       PHE  21  32.993  -9.618   7.196
  186    H    GLY  22           HN       GLY  22  28.325 -10.190   0.672
  187    HA2  GLY  22           HA2      GLY  22  26.179 -11.959   0.339
  188    HA3  GLY  22           HA1      GLY  22  26.677 -10.741  -0.828
  189    H    PHE  23           HN       PHE  23  29.166 -11.589  -1.552
  190    HA   PHE  23           HA       PHE  23  28.735 -13.404  -3.565
  191    HB2  PHE  23           HB2      PHE  23  30.991 -12.085  -2.447
  192    HB3  PHE  23           HB1      PHE  23  31.411 -13.785  -2.638
  193    HD1  PHE  23           HD1      PHE  23  30.285 -14.811  -4.934
  194    HD2  PHE  23           HD2      PHE  23  31.530 -10.751  -4.288
  195    HE1  PHE  23           HE1      PHE  23  30.513 -14.490  -7.382
  196    HE2  PHE  23           HE2      PHE  23  31.757 -10.429  -6.732
  197    HZ   PHE  23           HZ       PHE  23  31.248 -12.299  -8.282
  198    H    TRP  24           HN       TRP  24  29.015 -14.010  -0.212
  199    HA   TRP  24           HA       TRP  24  29.437 -16.891  -0.658
  200    HB2  TRP  24           HB2      TRP  24  31.049 -16.060   0.879
  201    HB3  TRP  24           HB1      TRP  24  29.830 -15.137   1.761
  202    HD1  TRP  24           HD1      TRP  24  30.261 -18.839   0.736
  203    HE1  TRP  24           HE1      TRP  24  29.594 -20.313   2.748
  204    HE3  TRP  24           HE3      TRP  24  28.995 -15.219   4.087
  205    HZ2  TRP  24           HZ2      TRP  24  28.649 -19.991   5.422
  206    HZ3  TRP  24           HZ3      TRP  24  28.212 -15.824   6.363
  207    HH2  TRP  24           HH2      TRP  24  28.039 -18.203   7.034
  208    H    LEU  25           HN       LEU  25  27.730 -14.908   1.748
  209    HA   LEU  25           HA       LEU  25  25.931 -16.461   2.855
  210    HB2  LEU  25           HB2      LEU  25  25.666 -13.731   1.747
  211    HB3  LEU  25           HB1      LEU  25  24.164 -14.537   2.200
  212    HG   LEU  25           HG       LEU  25  26.537 -14.537   4.055
  213   HD11  LEU  25          HD11      LEU  25  25.583 -12.523   5.137
  214   HD12  LEU  25          HD12      LEU  25  24.385 -12.407   3.849
  215   HD13  LEU  25          HD13      LEU  25  26.095 -12.183   3.484
  216   HD21  LEU  25          HD21      LEU  25  25.064 -15.387   5.574
  217   HD22  LEU  25          HD22      LEU  25  24.106 -15.805   4.154
  218   HD23  LEU  25          HD23      LEU  25  23.760 -14.324   5.045
  219    H    PHE  26           HN       PHE  26  25.308 -15.194  -0.429
  220    HA   PHE  26           HA       PHE  26  23.012 -16.870  -0.794
  221    HB2  PHE  26           HB2      PHE  26  24.569 -15.631  -3.042
  222    HB3  PHE  26           HB1      PHE  26  22.832 -15.901  -2.922
  223    HD1  PHE  26           HD1      PHE  26  21.962 -14.806  -0.470
  224    HD2  PHE  26           HD2      PHE  26  25.093 -13.373  -3.041
  225    HE1  PHE  26           HE1      PHE  26  21.663 -12.523   0.444
  226    HE2  PHE  26           HE2      PHE  26  24.789 -11.087  -2.126
  227    HZ   PHE  26           HZ       PHE  26  23.083 -10.663  -0.379
  228    H    LYS  27           HN       LYS  27  26.061 -16.788  -2.615
  229    HA   LYS  27           HA       LYS  27  25.829 -19.113  -4.031
  230    HB2  LYS  27           HB2      LYS  27  28.222 -17.728  -2.866
  231    HB3  LYS  27           HB1      LYS  27  28.413 -19.224  -3.771
  232    HG2  LYS  27           HG2      LYS  27  28.668 -17.217  -5.224
  233    HG3  LYS  27           HG1      LYS  27  27.311 -18.226  -5.718
  234    HD2  LYS  27           HD2      LYS  27  25.728 -16.732  -4.727
  235    HD3  LYS  27           HD1      LYS  27  27.001 -15.834  -3.896
  236    HE2  LYS  27           HE2      LYS  27  26.157 -14.670  -5.944
  237    HE3  LYS  27           HE1      LYS  27  27.883 -15.031  -6.010
  238    HZ1  LYS  27           HZ1      LYS  27  26.084 -15.704  -7.904
  239    HZ2  LYS  27           HZ2      LYS  27  26.214 -17.146  -7.015
  240    HZ3  LYS  27           HZ3      LYS  27  27.599 -16.439  -7.698
  241    H    TYR  28           HN       TYR  28  25.954 -18.896  -0.656
  242    HA   TYR  28           HA       TYR  28  26.737 -21.746  -0.426
  243    HB2  TYR  28           HB2      TYR  28  28.248 -20.973   1.047
  244    HB3  TYR  28           HB1      TYR  28  27.489 -19.386   1.123
  245    HD1  TYR  28           HD2      TYR  28  26.947 -22.923   2.220
  246    HD2  TYR  28           HD1      TYR  28  26.320 -18.758   3.052
  247    HE1  TYR  28           HE2      TYR  28  25.948 -23.513   4.413
  248    HE2  TYR  28           HE1      TYR  28  25.321 -19.346   5.246
  249    HH   TYR  28           HH       TYR  28  24.201 -22.281   6.026
  250    H    LEU  29           HN       LEU  29  24.656 -19.239   1.024
  251    HA   LEU  29           HA       LEU  29  22.987 -21.253   2.271
  252    HB2  LEU  29           HB2      LEU  29  23.578 -18.854   3.142
  253    HB3  LEU  29           HB1      LEU  29  22.257 -18.346   2.089
  254    HG   LEU  29           HG       LEU  29  21.124 -20.483   3.365
  255   HD11  LEU  29          HD11      LEU  29  23.076 -20.733   4.853
  256   HD12  LEU  29          HD12      LEU  29  21.649 -20.241   5.762
  257   HD13  LEU  29          HD13      LEU  29  22.895 -19.058   5.371
  258   HD21  LEU  29          HD21      LEU  29  20.105 -18.276   3.041
  259   HD22  LEU  29          HD22      LEU  29  21.181 -17.584   4.255
  260   HD23  LEU  29          HD23      LEU  29  19.958 -18.763   4.729
  261    H    GLN  30           HN       GLN  30  22.661 -18.847  -0.323
  262    HA   GLN  30           HA       GLN  30  19.971 -19.557  -0.986
  263    HB2  GLN  30           HB2      GLN  30  20.852 -17.358  -1.527
  264    HB3  GLN  30           HB1      GLN  30  22.092 -18.076  -2.553
  265    HG2  GLN  30           HG2      GLN  30  20.656 -18.443  -4.268
  266    HG3  GLN  30           HG1      GLN  30  19.335 -18.899  -3.196
  267   HE21  GLN  30          HE21      GLN  30  20.986 -15.834  -2.646
  268   HE22  GLN  30          HE22      GLN  30  19.722 -14.847  -3.203
  269    H    LYS  31           HN       LYS  31  23.054 -20.896  -1.722
  270    HA   LYS  31           HA       LYS  31  21.938 -22.458  -3.962
  271    HB2  LYS  31           HB2      LYS  31  24.697 -21.629  -3.169
  272    HB3  LYS  31           HB1      LYS  31  24.494 -23.127  -4.079
  273    HG2  LYS  31           HG2      LYS  31  24.851 -21.137  -5.551
  274    HG3  LYS  31           HG1      LYS  31  23.310 -21.944  -5.850
  275    HD2  LYS  31           HD2      LYS  31  22.073 -20.257  -4.792
  276    HD3  LYS  31           HD1      LYS  31  23.467 -19.673  -3.882
  277    HE2  LYS  31           HE2      LYS  31  24.485 -18.816  -5.942
  278    HE3  LYS  31           HE1      LYS  31  23.133 -19.443  -6.887
  279    HZ1  LYS  31           HZ1      LYS  31  23.194 -16.971  -6.013
  280    HZ2  LYS  31           HZ2      LYS  31  22.508 -17.692  -4.637
  281    HZ3  LYS  31           HZ3      LYS  31  21.741 -17.837  -6.146
  282    H    LYS  32           HN       LYS  32  21.664 -22.805  -0.909
  283    HA   LYS  32           HA       LYS  32  22.988 -24.925   0.157
  284    HB2  LYS  32           HB2      LYS  32  20.509 -23.655   0.623
  285    HB3  LYS  32           HB1      LYS  32  20.175 -25.386   0.560
  286    HG2  LYS  32           HG2      LYS  32  21.958 -25.806   2.201
  287    HG3  LYS  32           HG1      LYS  32  22.331 -24.083   2.251
  288    HD2  LYS  32           HD2      LYS  32  19.507 -24.924   2.768
  289    HD3  LYS  32           HD1      LYS  32  20.697 -25.185   4.043
  290    HE2  LYS  32           HE2      LYS  32  21.334 -22.809   3.950
  291    HE3  LYS  32           HE1      LYS  32  20.163 -22.539   2.659
  292    HZ1  LYS  32           HZ1      LYS  32  18.816 -22.029   4.361
  293    HZ2  LYS  32           HZ2      LYS  32  19.739 -22.883   5.503
  294    HZ3  LYS  32           HZ3      LYS  32  18.638 -23.710   4.508
  Start of MODEL   29
    1    H1   LYS   1           HT1      LYS   1  21.756  13.725  -3.550
    2    H2   LYS   1           HT2      LYS   1  20.361  12.756  -3.567
    3    H3   LYS   1           HT3      LYS   1  20.837  13.588  -4.970
    4    HA   LYS   1           HA       LYS   1  21.343  11.082  -4.776
    5    HB2  LYS   1           HB2      LYS   1  22.173  12.750  -6.510
    6    HB3  LYS   1           HB1      LYS   1  23.603  12.963  -5.500
    7    HG2  LYS   1           HG2      LYS   1  23.923  10.448  -5.602
    8    HG3  LYS   1           HG1      LYS   1  22.656  10.413  -6.829
    9    HD2  LYS   1           HD2      LYS   1  24.177  12.352  -7.885
   10    HD3  LYS   1           HD1      LYS   1  25.433  11.485  -7.002
   11    HE2  LYS   1           HE2      LYS   1  24.704   9.371  -8.097
   12    HE3  LYS   1           HE1      LYS   1  23.525  10.289  -9.033
   13    HZ1  LYS   1           HZ1      LYS   1  26.314   9.976  -9.472
   14    HZ2  LYS   1           HZ2      LYS   1  25.907  11.621  -9.347
   15    HZ3  LYS   1           HZ3      LYS   1  25.135  10.637 -10.497
   16    H    LYS   2           HN       LYS   2  23.141  13.430  -2.865
   17    HA   LYS   2           HA       LYS   2  25.128  11.654  -1.892
   18    HB2  LYS   2           HB2      LYS   2  25.433  14.063  -1.760
   19    HB3  LYS   2           HB1      LYS   2  24.013  14.220  -0.728
   20    HG2  LYS   2           HG2      LYS   2  26.150  14.281   0.558
   21    HG3  LYS   2           HG1      LYS   2  25.109  12.951   1.048
   22    HD2  LYS   2           HD2      LYS   2  26.461  11.339   0.006
   23    HD3  LYS   2           HD1      LYS   2  27.184  12.520  -1.088
   24    HE2  LYS   2           HE2      LYS   2  27.642  12.392   1.906
   25    HE3  LYS   2           HE1      LYS   2  28.777  11.842   0.674
   26    HZ1  LYS   2           HZ1      LYS   2  28.498  14.406   1.692
   27    HZ2  LYS   2           HZ2      LYS   2  27.938  14.468   0.089
   28    HZ3  LYS   2           HZ3      LYS   2  29.504  13.902   0.425
   29    H    HIS   3           HN       HIS   3  21.796  12.002  -1.195
   30    HA   HIS   3           HA       HIS   3  20.404  11.013   0.332
   31    HB2  HIS   3           HB2      HIS   3  21.563   9.013  -0.633
   32    HB3  HIS   3           HB1      HIS   3  22.704   9.090   0.709
   33    HD2  HIS   3           HD2      HIS   3  21.508   6.562   1.542
   34    HE1  HIS   3           HE1      HIS   3  17.997   8.390   3.005
   35    HE2  HIS   3           HE2      HIS   3  19.343   6.238   2.971
   36    H    THR   4           HN       THR   4  22.139   9.404   2.507
   37    HA   THR   4           HA       THR   4  22.344  11.715   4.346
   38    HB   THR   4           HB       THR   4  20.600  10.238   5.091
   39    HG1  THR   4           HG1      THR   4  21.407   9.779   7.074
   40   HG21  THR   4          HG21      THR   4  22.342   8.232   3.957
   41   HG22  THR   4          HG22      THR   4  20.648   8.092   4.423
   42   HG23  THR   4          HG23      THR   4  21.912   7.793   5.611
   43    H    ILE   5           HN       ILE   5  23.424   8.871   5.693
   44    HA   ILE   5           HA       ILE   5  26.229   9.673   5.304
   45    HB   ILE   5           HB       ILE   5  26.517   8.068   7.320
   46   HG12  ILE   5          HG12      ILE   5  23.738   8.777   8.057
   47   HG13  ILE   5          HG11      ILE   5  23.898   7.511   6.838
   48   HG21  ILE   5          HG21      ILE   5  25.791   9.917   8.876
   49   HG22  ILE   5          HG22      ILE   5  25.077  10.728   7.481
   50   HG23  ILE   5          HG23      ILE   5  26.819  10.454   7.546
   51   HD11  ILE   5          HD11      ILE   5  25.394   6.250   8.299
   52   HD12  ILE   5          HD12      ILE   5  23.880   6.584   9.140
   53   HD13  ILE   5          HD13      ILE   5  25.321   7.531   9.509
   54    H    TRP   6           HN       TRP   6  23.923   7.154   4.742
   55    HA   TRP   6           HA       TRP   6  25.381   4.860   4.483
   56    HB2  TRP   6           HB2      TRP   6  22.942   5.909   3.360
   57    HB3  TRP   6           HB1      TRP   6  23.810   4.969   2.146
   58    HD1  TRP   6           HD1      TRP   6  22.608   2.715   2.167
   59    HE1  TRP   6           HE1      TRP   6  22.077   0.941   3.953
   60    HE3  TRP   6           HE3      TRP   6  24.053   5.236   6.356
   61    HZ2  TRP   6           HZ2      TRP   6  22.246   0.631   6.785
   62    HZ3  TRP   6           HZ3      TRP   6  23.858   4.181   8.590
   63    HH2  TRP   6           HH2      TRP   6  22.956   1.881   8.812
   64    H    GLU   7           HN       GLU   7  24.958   7.250   1.862
   65    HA   GLU   7           HA       GLU   7  26.790   6.075   0.081
   66    HB2  GLU   7           HB2      GLU   7  25.248   8.514   0.269
   67    HB3  GLU   7           HB1      GLU   7  26.844   8.823  -0.416
   68    HG2  GLU   7           HG2      GLU   7  25.002   6.612  -1.364
   69    HG3  GLU   7           HG1      GLU   7  25.098   8.200  -2.123
   70    H    VAL   8           HN       VAL   8  27.468   7.220   3.059
   71    HA   VAL   8           HA       VAL   8  30.164   8.164   2.304
   72    HB   VAL   8           HB       VAL   8  28.891   8.658   4.984
   73   HG11  VAL   8          HG11      VAL   8  30.666  10.056   5.314
   74   HG12  VAL   8          HG12      VAL   8  30.686  10.589   3.631
   75   HG13  VAL   8          HG13      VAL   8  31.422   9.049   4.078
   76   HG21  VAL   8          HG21      VAL   8  28.146  10.849   4.097
   77   HG22  VAL   8          HG22      VAL   8  27.334   9.522   3.264
   78   HG23  VAL   8          HG23      VAL   8  28.669  10.368   2.485
   79    H    ILE   9           HN       ILE   9  28.306   6.019   4.394
   80    HA   ILE   9           HA       ILE   9  30.815   4.670   5.162
   81    HB   ILE   9           HB       ILE   9  29.997   5.366   7.192
   82   HG12  ILE   9          HG12      ILE   9  29.793   2.690   6.817
   83   HG13  ILE   9          HG11      ILE   9  29.460   3.479   8.345
   84   HG21  ILE   9          HG21      ILE   9  27.508   5.419   7.706
   85   HG22  ILE   9          HG22      ILE   9  27.251   5.109   5.986
   86   HG23  ILE   9          HG23      ILE   9  28.096   6.564   6.508
   87   HD11  ILE   9          HD11      ILE   9  27.276   3.050   6.302
   88   HD12  ILE   9          HD12      ILE   9  27.112   3.415   8.015
   89   HD13  ILE   9          HD13      ILE   9  27.685   1.830   7.502
   90    H    ALA  10           HN       ALA  10  27.418   4.223   4.263
   91    HA   ALA  10           HA       ALA  10  27.656   1.376   3.966
   92    HB1  ALA  10           HB1      ALA  10  25.592   3.240   2.771
   93    HB2  ALA  10           HB2      ALA  10  25.490   2.531   4.382
   94    HB3  ALA  10           HB3      ALA  10  25.449   1.493   2.958
   95    H    GLY  11           HN       GLY  11  26.988   3.859   1.481
   96    HA2  GLY  11           HA2      GLY  11  27.595   2.333  -0.750
   97    HA3  GLY  11           HA1      GLY  11  27.799   4.085  -0.670
   98    H    LEU  12           HN       LEU  12  29.614   3.385   1.751
   99    HA   LEU  12           HA       LEU  12  32.051   3.093   0.145
  100    HB2  LEU  12           HB2      LEU  12  31.671   5.074   1.737
  101    HB3  LEU  12           HB1      LEU  12  31.924   3.913   3.041
  102    HG   LEU  12           HG       LEU  12  34.054   3.285   1.550
  103   HD11  LEU  12          HD11      LEU  12  34.947   5.077   0.316
  104   HD12  LEU  12          HD12      LEU  12  33.888   6.258   1.089
  105   HD13  LEU  12          HD13      LEU  12  33.233   5.129  -0.098
  106   HD21  LEU  12          HD21      LEU  12  35.359   4.853   2.971
  107   HD22  LEU  12          HD22      LEU  12  34.117   4.010   3.897
  108   HD23  LEU  12          HD23      LEU  12  33.864   5.683   3.403
  109    H    VAL  13           HN       VAL  13  30.150   1.587   2.650
  110    HA   VAL  13           HA       VAL  13  32.218  -0.514   2.944
  111    HB   VAL  13           HB       VAL  13  30.011   0.237   4.876
  112   HG11  VAL  13          HG11      VAL  13  31.949  -1.336   6.132
  113   HG12  VAL  13          HG12      VAL  13  31.700  -2.116   4.570
  114   HG13  VAL  13          HG13      VAL  13  30.333  -1.854   5.654
  115   HG21  VAL  13          HG21      VAL  13  31.606   1.375   6.125
  116   HG22  VAL  13          HG22      VAL  13  32.203   1.707   4.501
  117   HG23  VAL  13          HG23      VAL  13  32.943   0.433   5.469
  118    H    ALA  14           HN       ALA  14  28.668  -0.094   3.071
  119    HA   ALA  14           HA       ALA  14  27.839  -2.684   2.859
  120    HB1  ALA  14           HB1      ALA  14  26.346  -0.675   2.942
  121    HB2  ALA  14           HB2      ALA  14  25.840  -1.882   1.760
  122    HB3  ALA  14           HB3      ALA  14  26.670  -0.419   1.228
  123    H    LEU  15           HN       LEU  15  28.999  -0.628   0.203
  124    HA   LEU  15           HA       LEU  15  28.583  -2.593  -1.822
  125    HB2  LEU  15           HB2      LEU  15  28.834  -0.155  -2.293
  126    HB3  LEU  15           HB1      LEU  15  30.526  -0.265  -1.817
  127    HG   LEU  15           HG       LEU  15  30.903  -1.954  -3.603
  128   HD11  LEU  15          HD11      LEU  15  27.952  -1.589  -3.907
  129   HD12  LEU  15          HD12      LEU  15  28.929  -3.044  -4.098
  130   HD13  LEU  15          HD13      LEU  15  28.899  -1.828  -5.375
  131   HD21  LEU  15          HD21      LEU  15  29.772   0.026  -5.341
  132   HD22  LEU  15          HD22      LEU  15  31.460  -0.182  -4.873
  133   HD23  LEU  15          HD23      LEU  15  30.394   0.834  -3.902
  134    H    LEU  16           HN       LEU  16  31.176  -1.823   0.391
  135    HA   LEU  16           HA       LEU  16  32.972  -3.778  -0.833
  136    HB2  LEU  16           HB2      LEU  16  33.466  -2.180   1.677
  137    HB3  LEU  16           HB1      LEU  16  34.655  -2.914   0.598
  138    HG   LEU  16           HG       LEU  16  32.812  -0.600  -0.061
  139   HD11  LEU  16          HD11      LEU  16  34.940  -0.266   1.375
  140   HD12  LEU  16          HD12      LEU  16  34.757   0.751  -0.053
  141   HD13  LEU  16          HD13      LEU  16  35.831  -0.646  -0.098
  142   HD21  LEU  16          HD21      LEU  16  34.647  -2.305  -1.737
  143   HD22  LEU  16          HD22      LEU  16  34.322  -0.630  -2.183
  144   HD23  LEU  16          HD23      LEU  16  32.997  -1.790  -2.082
  145    H    THR  17           HN       THR  17  30.387  -3.949   1.116
  146    HA   THR  17           HA       THR  17  31.481  -6.214   2.670
  147    HB   THR  17           HB       THR  17  29.650  -3.999   3.465
  148    HG1  THR  17           HG1      THR  17  31.220  -5.409   5.238
  149   HG21  THR  17          HG21      THR  17  29.448  -6.869   4.372
  150   HG22  THR  17          HG22      THR  17  28.149  -5.782   3.883
  151   HG23  THR  17          HG23      THR  17  28.973  -5.537   5.423
  152    H    PHE  18           HN       PHE  18  28.326  -4.901   1.634
  153    HA   PHE  18           HA       PHE  18  26.829  -7.189   1.634
  154    HB2  PHE  18           HB2      PHE  18  26.217  -4.750   0.940
  155    HB3  PHE  18           HB1      PHE  18  26.611  -5.299  -0.690
  156    HD1  PHE  18           HD1      PHE  18  24.383  -5.813   2.220
  157    HD2  PHE  18           HD2      PHE  18  25.222  -6.900  -1.850
  158    HE1  PHE  18           HE1      PHE  18  22.171  -6.920   2.058
  159    HE2  PHE  18           HE2      PHE  18  23.010  -8.007  -2.011
  160    HZ   PHE  18           HZ       PHE  18  21.483  -8.017  -0.057
  161    H    LEU  19           HN       LEU  19  29.074  -6.108  -0.889
  162    HA   LEU  19           HA       LEU  19  28.494  -8.305  -2.652
  163    HB2  LEU  19           HB2      LEU  19  30.596  -6.152  -2.573
  164    HB3  LEU  19           HB1      LEU  19  30.698  -7.466  -3.740
  165    HG   LEU  19           HG       LEU  19  29.513  -5.407  -4.600
  166   HD11  LEU  19          HD11      LEU  19  28.328  -6.759  -5.970
  167   HD12  LEU  19          HD12      LEU  19  27.307  -7.320  -4.649
  168   HD13  LEU  19          HD13      LEU  19  28.856  -8.101  -4.956
  169   HD21  LEU  19          HD21      LEU  19  27.394  -4.780  -3.720
  170   HD22  LEU  19          HD22      LEU  19  28.427  -5.004  -2.309
  171   HD23  LEU  19          HD23      LEU  19  27.270  -6.254  -2.763
  172    H    ALA  20           HN       ALA  20  30.430  -7.913   0.133
  173    HA   ALA  20           HA       ALA  20  32.229 -10.109  -0.577
  174    HB1  ALA  20           HB1      ALA  20  32.446  -7.848   1.090
  175    HB2  ALA  20           HB2      ALA  20  33.633  -9.135   0.875
  176    HB3  ALA  20           HB3      ALA  20  32.438  -9.243   2.168
  177    H    PHE  21           HN       PHE  21  29.809  -9.309   1.903
  178    HA   PHE  21           HA       PHE  21  29.783 -11.974   2.989
  179    HB2  PHE  21           HB2      PHE  21  28.062  -9.528   3.406
  180    HB3  PHE  21           HB1      PHE  21  27.730 -11.067   4.203
  181    HD1  PHE  21           HD2      PHE  21  30.608  -8.744   3.547
  182    HD2  PHE  21           HD1      PHE  21  28.709 -11.453   6.288
  183    HE1  PHE  21           HE2      PHE  21  32.334  -8.230   5.250
  184    HE2  PHE  21           HE1      PHE  21  30.434 -10.938   7.992
  185    HZ   PHE  21           HZ       PHE  21  32.245  -9.326   7.471
  186    H    GLY  22           HN       GLY  22  27.671 -10.013   0.923
  187    HA2  GLY  22           HA2      GLY  22  25.557 -11.796   0.585
  188    HA3  GLY  22           HA1      GLY  22  26.076 -10.622  -0.623
  189    H    PHE  23           HN       PHE  23  28.567 -11.476  -1.292
  190    HA   PHE  23           HA       PHE  23  28.234 -13.349  -3.244
  191    HB2  PHE  23           HB2      PHE  23  30.460 -12.104  -1.963
  192    HB3  PHE  23           HB1      PHE  23  30.820 -13.818  -2.150
  193    HD1  PHE  23           HD2      PHE  23  29.201 -11.049  -4.100
  194    HD2  PHE  23           HD1      PHE  23  31.768 -14.493  -4.170
  195    HE1  PHE  23           HE2      PHE  23  29.598 -10.706  -6.523
  196    HE2  PHE  23           HE1      PHE  23  32.163 -14.150  -6.593
  197    HZ   PHE  23           HZ       PHE  23  31.075 -12.260  -7.770
  198    H    TRP  24           HN       TRP  24  29.935 -14.170  -0.229
  199    HA   TRP  24           HA       TRP  24  29.768 -16.932  -0.476
  200    HB2  TRP  24           HB2      TRP  24  31.224 -16.095   1.189
  201    HB3  TRP  24           HB1      TRP  24  29.944 -15.144   1.944
  202    HD1  TRP  24           HD1      TRP  24  30.662 -18.871   1.192
  203    HE1  TRP  24           HE1      TRP  24  29.765 -20.275   3.160
  204    HE3  TRP  24           HE3      TRP  24  28.644 -15.172   4.056
  205    HZ2  TRP  24           HZ2      TRP  24  28.375 -19.877   5.623
  206    HZ3  TRP  24           HZ3      TRP  24  27.535 -15.706   6.212
  207    HH2  TRP  24           HH2      TRP  24  27.400 -18.053   6.997
  208    H    LEU  25           HN       LEU  25  27.802 -15.025   1.791
  209    HA   LEU  25           HA       LEU  25  25.966 -16.610   2.765
  210    HB2  LEU  25           HB2      LEU  25  25.674 -13.930   1.531
  211    HB3  LEU  25           HB1      LEU  25  24.181 -14.797   1.893
  212    HG   LEU  25           HG       LEU  25  26.359 -14.660   3.946
  213   HD11  LEU  25          HD11      LEU  25  25.325 -12.602   4.847
  214   HD12  LEU  25          HD12      LEU  25  24.245 -12.543   3.454
  215   HD13  LEU  25          HD13      LEU  25  25.983 -12.332   3.232
  216   HD21  LEU  25          HD21      LEU  25  24.016 -15.989   3.907
  217   HD22  LEU  25          HD22      LEU  25  23.451 -14.447   4.547
  218   HD23  LEU  25          HD23      LEU  25  24.709 -15.347   5.395
  219    H    PHE  26           HN       PHE  26  25.131 -15.243  -0.421
  220    HA   PHE  26           HA       PHE  26  23.154 -17.199  -0.902
  221    HB2  PHE  26           HB2      PHE  26  24.557 -15.626  -3.053
  222    HB3  PHE  26           HB1      PHE  26  22.891 -16.201  -3.030
  223    HD1  PHE  26           HD1      PHE  26  21.653 -15.445  -0.674
  224    HD2  PHE  26           HD2      PHE  26  24.768 -13.323  -2.737
  225    HE1  PHE  26           HE1      PHE  26  20.930 -13.338   0.404
  226    HE2  PHE  26           HE2      PHE  26  24.045 -11.213  -1.654
  227    HZ   PHE  26           HZ       PHE  26  22.127 -11.220  -0.083
  228    H    LYS  27           HN       LYS  27  26.420 -16.821  -2.291
  229    HA   LYS  27           HA       LYS  27  26.315 -19.160  -3.860
  230    HB2  LYS  27           HB2      LYS  27  28.705 -17.687  -2.731
  231    HB3  LYS  27           HB1      LYS  27  28.776 -18.922  -3.991
  232    HG2  LYS  27           HG2      LYS  27  27.385 -17.576  -5.462
  233    HG3  LYS  27           HG1      LYS  27  27.136 -16.378  -4.194
  234    HD2  LYS  27           HD2      LYS  27  29.223 -15.471  -4.446
  235    HD3  LYS  27           HD1      LYS  27  29.956 -17.016  -4.885
  236    HE2  LYS  27           HE2      LYS  27  29.662 -15.175  -6.729
  237    HE3  LYS  27           HE1      LYS  27  29.279 -16.852  -7.121
  238    HZ1  LYS  27           HZ1      LYS  27  27.601 -14.888  -7.585
  239    HZ2  LYS  27           HZ2      LYS  27  27.149 -15.212  -5.980
  240    HZ3  LYS  27           HZ3      LYS  27  27.066 -16.439  -7.153
  241    H    TYR  28           HN       TYR  28  25.779 -19.297  -0.767
  242    HA   TYR  28           HA       TYR  28  27.161 -21.870  -0.457
  243    HB2  TYR  28           HB2      TYR  28  28.560 -21.018   1.074
  244    HB3  TYR  28           HB1      TYR  28  27.698 -19.486   1.117
  245    HD1  TYR  28           HD1      TYR  28  27.256 -23.046   2.202
  246    HD2  TYR  28           HD2      TYR  28  26.596 -18.893   3.082
  247    HE1  TYR  28           HE1      TYR  28  26.275 -23.666   4.396
  248    HE2  TYR  28           HE2      TYR  28  25.614 -19.513   5.274
  249    HH   TYR  28           HH       TYR  28  25.167 -21.165   6.685
  250    H    LEU  29           HN       LEU  29  24.734 -19.626   0.888
  251    HA   LEU  29           HA       LEU  29  23.266 -21.856   2.059
  252    HB2  LEU  29           HB2      LEU  29  23.473 -19.098   2.610
  253    HB3  LEU  29           HB1      LEU  29  21.810 -19.371   2.094
  254    HG   LEU  29           HG       LEU  29  23.255 -20.974   4.225
  255   HD11  LEU  29          HD11      LEU  29  20.991 -19.591   5.234
  256   HD12  LEU  29          HD12      LEU  29  21.939 -18.418   4.319
  257   HD13  LEU  29          HD13      LEU  29  22.685 -19.319   5.638
  258   HD21  LEU  29          HD21      LEU  29  21.575 -22.453   3.965
  259   HD22  LEU  29          HD22      LEU  29  20.893 -21.470   2.668
  260   HD23  LEU  29          HD23      LEU  29  20.415 -21.179   4.340
  261    H    GLN  30           HN       GLN  30  22.844 -19.472  -0.535
  262    HA   GLN  30           HA       GLN  30  20.284 -20.563  -1.331
  263    HB2  GLN  30           HB2      GLN  30  20.555 -18.232  -1.695
  264    HB3  GLN  30           HB1      GLN  30  22.112 -18.461  -2.483
  265    HG2  GLN  30           HG2      GLN  30  21.155 -19.329  -4.435
  266    HG3  GLN  30           HG1      GLN  30  19.622 -19.682  -3.635
  267   HE21  GLN  30          HE21      GLN  30  20.823 -16.637  -2.649
  268   HE22  GLN  30          HE22      GLN  30  19.895 -15.674  -3.692
  269    H    LYS  31           HN       LYS  31  23.432 -21.558  -1.709
  270    HA   LYS  31           HA       LYS  31  22.838 -22.938  -4.261
  271    HB2  LYS  31           HB2      LYS  31  25.290 -21.651  -3.198
  272    HB3  LYS  31           HB1      LYS  31  25.515 -23.176  -4.055
  273    HG2  LYS  31           HG2      LYS  31  25.626 -21.187  -5.567
  274    HG3  LYS  31           HG1      LYS  31  24.337 -22.309  -6.001
  275    HD2  LYS  31           HD2      LYS  31  22.670 -20.867  -5.347
  276    HD3  LYS  31           HD1      LYS  31  23.654 -20.139  -4.078
  277    HE2  LYS  31           HE2      LYS  31  24.975 -18.941  -5.773
  278    HE3  LYS  31           HE1      LYS  31  24.019 -19.685  -7.055
  279    HZ1  LYS  31           HZ1      LYS  31  23.426 -17.330  -6.072
  280    HZ2  LYS  31           HZ2      LYS  31  22.586 -18.272  -4.935
  281    HZ3  LYS  31           HZ3      LYS  31  22.222 -18.406  -6.589
  282    H    LYS  32           HN       LYS  32  22.445 -23.574  -1.235
  283    HA   LYS  32           HA       LYS  32  24.004 -25.573  -0.268
  284    HB2  LYS  32           HB2      LYS  32  21.364 -24.700   0.165
  285    HB3  LYS  32           HB1      LYS  32  21.259 -26.443  -0.088
  286    HG2  LYS  32           HG2      LYS  32  23.128 -26.724   1.577
  287    HG3  LYS  32           HG1      LYS  32  23.011 -24.998   1.919
  288    HD2  LYS  32           HD2      LYS  32  20.771 -27.020   2.237
  289    HD3  LYS  32           HD1      LYS  32  21.701 -26.298   3.551
  290    HE2  LYS  32           HE2      LYS  32  20.918 -24.036   2.365
  291    HE3  LYS  32           HE1      LYS  32  19.600 -25.071   1.819
  292    HZ1  LYS  32           HZ1      LYS  32  19.564 -23.825   4.141
  293    HZ2  LYS  32           HZ2      LYS  32  20.344 -25.253   4.631
  294    HZ3  LYS  32           HZ3      LYS  32  18.809 -25.325   3.905
  Start of MODEL   30
    1    H1   LYS   1           HT1      LYS   1  24.828  18.860  -1.356
    2    H2   LYS   1           HT2      LYS   1  25.942  17.644  -0.949
    3    H3   LYS   1           HT3      LYS   1  25.544  18.847   0.181
    4    HA   LYS   1           HA       LYS   1  24.208  17.227   0.979
    5    HB2  LYS   1           HB2      LYS   1  22.877  19.190  -0.169
    6    HB3  LYS   1           HB1      LYS   1  22.380  17.930  -1.299
    7    HG2  LYS   1           HG2      LYS   1  21.759  16.543   0.775
    8    HG3  LYS   1           HG1      LYS   1  21.913  18.048   1.683
    9    HD2  LYS   1           HD2      LYS   1  20.090  17.602  -0.701
   10    HD3  LYS   1           HD1      LYS   1  19.576  17.688   0.985
   11    HE2  LYS   1           HE2      LYS   1  19.206  19.882   0.312
   12    HE3  LYS   1           HE1      LYS   1  20.854  20.002   0.929
   13    HZ1  LYS   1           HZ1      LYS   1  20.189  20.856  -1.462
   14    HZ2  LYS   1           HZ2      LYS   1  20.520  19.240  -1.868
   15    HZ3  LYS   1           HZ3      LYS   1  21.719  20.199  -1.139
   16    H    LYS   2           HN       LYS   2  24.033  15.068   0.913
   17    HA   LYS   2           HA       LYS   2  23.499  13.687  -1.589
   18    HB2  LYS   2           HB2      LYS   2  26.135  14.058  -0.903
   19    HB3  LYS   2           HB1      LYS   2  25.791  12.497  -0.166
   20    HG2  LYS   2           HG2      LYS   2  25.157  13.161  -3.064
   21    HG3  LYS   2           HG1      LYS   2  26.640  12.372  -2.544
   22    HD2  LYS   2           HD2      LYS   2  25.585  10.392  -2.577
   23    HD3  LYS   2           HD1      LYS   2  24.493  10.963  -1.319
   24    HE2  LYS   2           HE2      LYS   2  23.295  10.198  -3.376
   25    HE3  LYS   2           HE1      LYS   2  22.977  11.886  -2.985
   26    HZ1  LYS   2           HZ1      LYS   2  23.631  11.199  -5.390
   27    HZ2  LYS   2           HZ2      LYS   2  25.213  11.228  -4.772
   28    HZ3  LYS   2           HZ3      LYS   2  24.250  12.627  -4.719
   29    H    HIS   3           HN       HIS   3  21.687  12.728  -0.841
   30    HA   HIS   3           HA       HIS   3  20.281  11.531   0.562
   31    HB2  HIS   3           HB2      HIS   3  21.637   9.828  -0.685
   32    HB3  HIS   3           HB1      HIS   3  22.723   9.752   0.702
   33    HD2  HIS   3           HD2      HIS   3  21.675   7.008   1.004
   34    HE1  HIS   3           HE1      HIS   3  18.022   8.337   2.650
   35    HE2  HIS   3           HE2      HIS   3  19.501   6.308   2.272
   36    H    THR   4           HN       THR   4  22.154   9.701   2.456
   37    HA   THR   4           HA       THR   4  22.087  11.623   4.707
   38    HB   THR   4           HB       THR   4  20.431   9.929   5.100
   39    HG1  THR   4           HG1      THR   4  22.242  10.422   6.715
   40   HG21  THR   4          HG21      THR   4  22.295   8.279   3.659
   41   HG22  THR   4          HG22      THR   4  20.625   7.927   4.103
   42   HG23  THR   4          HG23      THR   4  21.932   7.522   5.211
   43    H    ILE   5           HN       ILE   5  23.336   8.661   5.576
   44    HA   ILE   5           HA       ILE   5  26.111   9.632   5.265
   45    HB   ILE   5           HB       ILE   5  26.494   8.053   7.274
   46   HG12  ILE   5          HG12      ILE   5  23.738   8.611   8.142
   47   HG13  ILE   5          HG11      ILE   5  23.846   7.434   6.834
   48   HG21  ILE   5          HG21      ILE   5  25.493   9.893   8.824
   49   HG22  ILE   5          HG22      ILE   5  25.063  10.702   7.316
   50   HG23  ILE   5          HG23      ILE   5  26.753  10.352   7.680
   51   HD11  ILE   5          HD11      ILE   5  25.592   7.259   9.290
   52   HD12  ILE   5          HD12      ILE   5  25.265   6.005   8.094
   53   HD13  ILE   5          HD13      ILE   5  23.999   6.501   9.217
   54    H    TRP   6           HN       TRP   6  23.874   7.054   4.694
   55    HA   TRP   6           HA       TRP   6  25.379   4.798   4.430
   56    HB2  TRP   6           HB2      TRP   6  22.956   5.819   3.233
   57    HB3  TRP   6           HB1      TRP   6  23.878   4.885   2.054
   58    HD1  TRP   6           HD1      TRP   6  22.695   2.615   2.053
   59    HE1  TRP   6           HE1      TRP   6  22.139   0.844   3.837
   60    HE3  TRP   6           HE3      TRP   6  23.994   5.180   6.263
   61    HZ2  TRP   6           HZ2      TRP   6  22.235   0.557   6.675
   62    HZ3  TRP   6           HZ3      TRP   6  23.753   4.136   8.498
   63    HH2  TRP   6           HH2      TRP   6  22.874   1.829   8.711
   64    H    GLU   7           HN       GLU   7  24.886   7.053   1.705
   65    HA   GLU   7           HA       GLU   7  26.788   5.989  -0.005
   66    HB2  GLU   7           HB2      GLU   7  25.328   8.497   0.249
   67    HB3  GLU   7           HB1      GLU   7  26.913   8.709  -0.496
   68    HG2  GLU   7           HG2      GLU   7  24.957   6.568  -1.362
   69    HG3  GLU   7           HG1      GLU   7  25.023   8.164  -2.107
   70    H    VAL   8           HN       VAL   8  27.358   7.388   2.999
   71    HA   VAL   8           HA       VAL   8  30.096   8.200   2.280
   72    HB   VAL   8           HB       VAL   8  28.824   8.634   4.972
   73   HG11  VAL   8          HG11      VAL   8  30.726  10.482   3.592
   74   HG12  VAL   8          HG12      VAL   8  31.359   8.967   4.238
   75   HG13  VAL   8          HG13      VAL   8  30.561  10.120   5.311
   76   HG21  VAL   8          HG21      VAL   8  28.658  10.428   2.527
   77   HG22  VAL   8          HG22      VAL   8  28.114  10.856   4.148
   78   HG23  VAL   8          HG23      VAL   8  27.300   9.571   3.257
   79    H    ILE   9           HN       ILE   9  28.266   6.034   4.395
   80    HA   ILE   9           HA       ILE   9  30.789   4.684   5.108
   81    HB   ILE   9           HB       ILE   9  29.946   5.338   7.144
   82   HG12  ILE   9          HG12      ILE   9  29.822   2.659   6.720
   83   HG13  ILE   9          HG11      ILE   9  29.487   3.414   8.264
   84   HG21  ILE   9          HG21      ILE   9  27.461   5.310   7.657
   85   HG22  ILE   9          HG22      ILE   9  27.209   5.003   5.937
   86   HG23  ILE   9          HG23      ILE   9  28.007   6.483   6.467
   87   HD11  ILE   9          HD11      ILE   9  27.748   1.730   7.422
   88   HD12  ILE   9          HD12      ILE   9  27.291   2.949   6.240
   89   HD13  ILE   9          HD13      ILE   9  27.137   3.293   7.958
   90    H    ALA  10           HN       ALA  10  27.387   4.162   4.240
   91    HA   ALA  10           HA       ALA  10  27.664   1.337   3.897
   92    HB1  ALA  10           HB1      ALA  10  25.476   1.454   2.834
   93    HB2  ALA  10           HB2      ALA  10  25.613   3.206   2.686
   94    HB3  ALA  10           HB3      ALA  10  25.484   2.462   4.281
   95    H    GLY  11           HN       GLY  11  27.013   3.814   1.399
   96    HA2  GLY  11           HA2      GLY  11  27.675   2.287  -0.817
   97    HA3  GLY  11           HA1      GLY  11  27.853   4.041  -0.742
   98    H    LEU  12           HN       LEU  12  29.644   3.367   1.710
   99    HA   LEU  12           HA       LEU  12  32.104   3.101   0.135
  100    HB2  LEU  12           HB2      LEU  12  31.698   5.093   1.692
  101    HB3  LEU  12           HB1      LEU  12  31.918   3.954   3.019
  102    HG   LEU  12           HG       LEU  12  34.083   3.309   1.568
  103   HD11  LEU  12          HD11      LEU  12  33.356   5.123  -0.112
  104   HD12  LEU  12          HD12      LEU  12  35.035   5.163   0.429
  105   HD13  LEU  12          HD13      LEU  12  33.860   6.288   1.113
  106   HD21  LEU  12          HD21      LEU  12  34.167   3.972   3.903
  107   HD22  LEU  12          HD22      LEU  12  33.797   5.644   3.484
  108   HD23  LEU  12          HD23      LEU  12  35.343   4.939   3.015
  109    H    VAL  13           HN       VAL  13  30.182   1.585   2.610
  110    HA   VAL  13           HA       VAL  13  32.263  -0.498   2.939
  111    HB   VAL  13           HB       VAL  13  30.069   0.286   4.873
  112   HG11  VAL  13          HG11      VAL  13  30.488  -2.058   5.100
  113   HG12  VAL  13          HG12      VAL  13  31.411  -1.273   6.380
  114   HG13  VAL  13          HG13      VAL  13  32.228  -1.833   4.920
  115   HG21  VAL  13          HG21      VAL  13  31.701   1.390   6.127
  116   HG22  VAL  13          HG22      VAL  13  32.227   1.764   4.486
  117   HG23  VAL  13          HG23      VAL  13  33.021   0.481   5.395
  118    H    ALA  14           HN       ALA  14  28.714  -0.079   3.075
  119    HA   ALA  14           HA       ALA  14  27.895  -2.676   2.892
  120    HB1  ALA  14           HB1      ALA  14  25.895  -1.880   1.747
  121    HB2  ALA  14           HB2      ALA  14  26.720  -0.390   1.292
  122    HB3  ALA  14           HB3      ALA  14  26.367  -0.720   2.988
  123    H    LEU  15           HN       LEU  15  29.041  -0.631   0.226
  124    HA   LEU  15           HA       LEU  15  28.616  -2.596  -1.795
  125    HB2  LEU  15           HB2      LEU  15  28.869  -0.160  -2.267
  126    HB3  LEU  15           HB1      LEU  15  30.561  -0.270  -1.790
  127    HG   LEU  15           HG       LEU  15  30.939  -1.955  -3.578
  128   HD11  LEU  15          HD11      LEU  15  28.965  -3.045  -4.071
  129   HD12  LEU  15          HD12      LEU  15  28.941  -1.833  -5.352
  130   HD13  LEU  15          HD13      LEU  15  27.990  -1.586  -3.888
  131   HD21  LEU  15          HD21      LEU  15  30.354  -0.292  -5.522
  132   HD22  LEU  15          HD22      LEU  15  31.519   0.195  -4.293
  133   HD23  LEU  15          HD23      LEU  15  29.857   0.777  -4.212
  134    H    LEU  16           HN       LEU  16  31.213  -1.838   0.417
  135    HA   LEU  16           HA       LEU  16  33.011  -3.782  -0.817
  136    HB2  LEU  16           HB2      LEU  16  33.489  -2.220   1.718
  137    HB3  LEU  16           HB1      LEU  16  34.685  -2.942   0.639
  138    HG   LEU  16           HG       LEU  16  32.860  -0.608   0.005
  139   HD11  LEU  16          HD11      LEU  16  34.964  -0.283   1.448
  140   HD12  LEU  16          HD12      LEU  16  34.835   0.717   0.002
  141   HD13  LEU  16          HD13      LEU  16  35.880  -0.703   0.001
  142   HD21  LEU  16          HD21      LEU  16  34.369  -0.617  -2.117
  143   HD22  LEU  16          HD22      LEU  16  33.037  -1.773  -2.034
  144   HD23  LEU  16          HD23      LEU  16  34.685  -2.302  -1.694
  145    H    THR  17           HN       THR  17  30.436  -3.918   1.200
  146    HA   THR  17           HA       THR  17  31.516  -6.224   2.701
  147    HB   THR  17           HB       THR  17  29.685  -4.014   3.512
  148    HG1  THR  17           HG1      THR  17  32.012  -4.509   4.101
  149   HG21  THR  17          HG21      THR  17  28.182  -5.799   3.913
  150   HG22  THR  17          HG22      THR  17  29.003  -5.567   5.455
  151   HG23  THR  17          HG23      THR  17  29.480  -6.891   4.396
  152    H    PHE  18           HN       PHE  18  28.363  -4.902   1.673
  153    HA   PHE  18           HA       PHE  18  26.867  -7.188   1.657
  154    HB2  PHE  18           HB2      PHE  18  26.257  -4.744   0.981
  155    HB3  PHE  18           HB1      PHE  18  26.647  -5.284  -0.655
  156    HD1  PHE  18           HD2      PHE  18  24.419  -5.797   2.253
  157    HD2  PHE  18           HD1      PHE  18  25.260  -6.891  -1.814
  158    HE1  PHE  18           HE2      PHE  18  22.206  -6.901   2.093
  159    HE2  PHE  18           HE1      PHE  18  23.047  -7.995  -1.975
  160    HZ   PHE  18           HZ       PHE  18  21.517  -8.000  -0.022
  161    H    LEU  19           HN       LEU  19  29.112  -6.095  -0.859
  162    HA   LEU  19           HA       LEU  19  28.527  -8.278  -2.637
  163    HB2  LEU  19           HB2      LEU  19  30.630  -6.127  -2.543
  164    HB3  LEU  19           HB1      LEU  19  30.738  -7.438  -3.714
  165    HG   LEU  19           HG       LEU  19  29.550  -5.373  -4.565
  166   HD11  LEU  19          HD11      LEU  19  27.350  -7.283  -4.653
  167   HD12  LEU  19          HD12      LEU  19  28.900  -8.072  -4.935
  168   HD13  LEU  19          HD13      LEU  19  28.397  -6.726  -5.957
  169   HD21  LEU  19          HD21      LEU  19  28.448  -4.989  -2.280
  170   HD22  LEU  19          HD22      LEU  19  27.305  -6.250  -2.743
  171   HD23  LEU  19          HD23      LEU  19  27.418  -4.770  -3.695
  172    H    ALA  20           HN       ALA  20  30.465  -7.913   0.151
  173    HA   ALA  20           HA       ALA  20  32.255 -10.112  -0.576
  174    HB1  ALA  20           HB1      ALA  20  32.483  -7.864   1.110
  175    HB2  ALA  20           HB2      ALA  20  33.666  -9.150   0.881
  176    HB3  ALA  20           HB3      ALA  20  32.474  -9.269   2.175
  177    H    PHE  21           HN       PHE  21  29.840  -9.317   1.908
  178    HA   PHE  21           HA       PHE  21  29.803 -11.986   2.983
  179    HB2  PHE  21           HB2      PHE  21  28.090  -9.535   3.410
  180    HB3  PHE  21           HB1      PHE  21  27.755 -11.076   4.200
  181    HD1  PHE  21           HD2      PHE  21  30.643  -8.764   3.553
  182    HD2  PHE  21           HD1      PHE  21  28.726 -11.465   6.288
  183    HE1  PHE  21           HE2      PHE  21  32.366  -8.256   5.260
  184    HE2  PHE  21           HE1      PHE  21  30.449 -10.954   7.997
  185    HZ   PHE  21           HZ       PHE  21  32.268  -9.350   7.482
  186    H    GLY  22           HN       GLY  22  27.671  -9.997   0.959
  187    HA2  GLY  22           HA2      GLY  22  25.560 -11.770   0.600
  188    HA3  GLY  22           HA1      GLY  22  26.086 -10.594  -0.602
  189    H    PHE  23           HN       PHE  23  28.576 -11.460  -1.268
  190    HA   PHE  23           HA       PHE  23  28.233 -13.319  -3.233
  191    HB2  PHE  23           HB2      PHE  23  30.461 -12.084  -1.952
  192    HB3  PHE  23           HB1      PHE  23  30.819 -13.799  -2.139
  193    HD1  PHE  23           HD1      PHE  23  29.189 -11.036  -4.090
  194    HD2  PHE  23           HD2      PHE  23  31.780 -14.463  -4.157
  195    HE1  PHE  23           HE1      PHE  23  29.582 -10.692  -6.513
  196    HE2  PHE  23           HE2      PHE  23  32.172 -14.118  -6.579
  197    HZ   PHE  23           HZ       PHE  23  31.070 -12.237  -7.758
  198    H    TRP  24           HN       TRP  24  29.933 -14.167  -0.224
  199    HA   TRP  24           HA       TRP  24  29.759 -16.924  -0.490
  200    HB2  TRP  24           HB2      TRP  24  31.214 -16.100   1.183
  201    HB3  TRP  24           HB1      TRP  24  29.933 -15.157   1.945
  202    HD1  TRP  24           HD1      TRP  24  30.667 -18.874   1.170
  203    HE1  TRP  24           HE1      TRP  24  29.760 -20.297   3.122
  204    HE3  TRP  24           HE3      TRP  24  28.604 -15.206   4.039
  205    HZ2  TRP  24           HZ2      TRP  24  28.347 -19.922   5.575
  206    HZ3  TRP  24           HZ3      TRP  24  27.480 -15.760   6.182
  207    HH2  TRP  24           HH2      TRP  24  27.350 -18.113   6.951
  208    H    LEU  25           HN       LEU  25  27.780 -15.012   1.762
  209    HA   LEU  25           HA       LEU  25  25.941 -16.605   2.725
  210    HB2  LEU  25           HB2      LEU  25  25.664 -13.919   1.509
  211    HB3  LEU  25           HB1      LEU  25  24.164 -14.785   1.848
  212    HG   LEU  25           HG       LEU  25  26.330 -14.657   3.920
  213   HD11  LEU  25          HD11      LEU  25  25.945 -12.328   3.240
  214   HD12  LEU  25          HD12      LEU  25  25.249 -12.622   4.834
  215   HD13  LEU  25          HD13      LEU  25  24.205 -12.554   3.414
  216   HD21  LEU  25          HD21      LEU  25  23.426 -14.469   4.532
  217   HD22  LEU  25          HD22      LEU  25  24.688 -15.398   5.343
  218   HD23  LEU  25          HD23      LEU  25  23.979 -15.996   3.843
  219    H    PHE  26           HN       PHE  26  25.125 -15.216  -0.456
  220    HA   PHE  26           HA       PHE  26  23.155 -17.172  -0.957
  221    HB2  PHE  26           HB2      PHE  26  24.561 -15.575  -3.088
  222    HB3  PHE  26           HB1      PHE  26  22.898 -16.165  -3.086
  223    HD1  PHE  26           HD2      PHE  26  21.621 -15.441  -0.751
  224    HD2  PHE  26           HD1      PHE  26  24.762 -13.278  -2.730
  225    HE1  PHE  26           HE2      PHE  26  20.876 -13.354   0.347
  226    HE2  PHE  26           HE1      PHE  26  24.014 -11.188  -1.628
  227    HZ   PHE  26           HZ       PHE  26  22.073 -11.225  -0.088
  228    H    LYS  27           HN       LYS  27  26.470 -16.810  -2.214
  229    HA   LYS  27           HA       LYS  27  26.351 -19.157  -3.813
  230    HB2  LYS  27           HB2      LYS  27  28.740 -17.648  -2.731
  231    HB3  LYS  27           HB1      LYS  27  28.804 -18.894  -3.981
  232    HG2  LYS  27           HG2      LYS  27  27.408 -17.570  -5.457
  233    HG3  LYS  27           HG1      LYS  27  27.135 -16.371  -4.192
  234    HD2  LYS  27           HD2      LYS  27  29.212 -15.435  -4.437
  235    HD3  LYS  27           HD1      LYS  27  29.965 -16.968  -4.877
  236    HE2  LYS  27           HE2      LYS  27  29.649 -15.129  -6.719
  237    HE3  LYS  27           HE1      LYS  27  29.294 -16.812  -7.112
  238    HZ1  LYS  27           HZ1      LYS  27  27.074 -16.436  -7.153
  239    HZ2  LYS  27           HZ2      LYS  27  27.584 -14.871  -7.577
  240    HZ3  LYS  27           HZ3      LYS  27  27.130 -15.216  -5.977
  241    H    TYR  28           HN       TYR  28  25.617 -19.450  -0.908
  242    HA   TYR  28           HA       TYR  28  27.077 -21.925  -0.477
  243    HB2  TYR  28           HB2      TYR  28  28.506 -21.050   1.020
  244    HB3  TYR  28           HB1      TYR  28  27.644 -19.518   1.062
  245    HD1  TYR  28           HD1      TYR  28  27.216 -23.069   2.180
  246    HD2  TYR  28           HD2      TYR  28  26.559 -18.909   3.031
  247    HE1  TYR  28           HE1      TYR  28  26.250 -23.673   4.383
  248    HE2  TYR  28           HE2      TYR  28  25.591 -19.515   5.235
  249    HH   TYR  28           HH       TYR  28  25.073 -22.896   6.148
  250    H    LEU  29           HN       LEU  29  24.703 -19.621   0.854
  251    HA   LEU  29           HA       LEU  29  23.210 -21.801   2.080
  252    HB2  LEU  29           HB2      LEU  29  23.485 -19.054   2.604
  253    HB3  LEU  29           HB1      LEU  29  21.820 -19.267   2.065
  254    HG   LEU  29           HG       LEU  29  23.170 -20.897   4.237
  255   HD11  LEU  29          HD11      LEU  29  22.771 -18.591   4.959
  256   HD12  LEU  29          HD12      LEU  29  21.619 -19.670   5.745
  257   HD13  LEU  29          HD13      LEU  29  21.107 -18.678   4.379
  258   HD21  LEU  29          HD21      LEU  29  21.468 -22.336   3.894
  259   HD22  LEU  29          HD22      LEU  29  20.777 -21.283   2.658
  260   HD23  LEU  29          HD23      LEU  29  20.350 -21.051   4.353
  261    H    GLN  30           HN       GLN  30  22.741 -19.400  -0.497
  262    HA   GLN  30           HA       GLN  30  20.183 -20.467  -1.277
  263    HB2  GLN  30           HB2      GLN  30  20.497 -18.174  -1.751
  264    HB3  GLN  30           HB1      GLN  30  22.079 -18.455  -2.464
  265    HG2  GLN  30           HG2      GLN  30  21.186 -19.385  -4.420
  266    HG3  GLN  30           HG1      GLN  30  19.604 -19.649  -3.677
  267   HE21  GLN  30          HE21      GLN  30  20.881 -16.616  -2.751
  268   HE22  GLN  30          HE22      GLN  30  20.040 -15.659  -3.870
  269    H    LYS  31           HN       LYS  31  23.264 -21.600  -1.557
  270    HA   LYS  31           HA       LYS  31  22.734 -22.990  -4.110
  271    HB2  LYS  31           HB2      LYS  31  25.150 -21.858  -2.880
  272    HB3  LYS  31           HB1      LYS  31  25.367 -23.503  -3.474
  273    HG2  LYS  31           HG2      LYS  31  25.894 -21.914  -5.254
  274    HG3  LYS  31           HG1      LYS  31  24.430 -22.800  -5.675
  275    HD2  LYS  31           HD2      LYS  31  23.610 -20.535  -4.164
  276    HD3  LYS  31           HD1      LYS  31  24.782 -19.963  -5.350
  277    HE2  LYS  31           HE2      LYS  31  23.496 -21.227  -7.118
  278    HE3  LYS  31           HE1      LYS  31  22.257 -21.543  -5.902
  279    HZ1  LYS  31           HZ1      LYS  31  22.696 -19.203  -7.424
  280    HZ2  LYS  31           HZ2      LYS  31  22.820 -18.839  -5.769
  281    HZ3  LYS  31           HZ3      LYS  31  21.412 -19.570  -6.378
  282    H    LYS  32           HN       LYS  32  24.186 -23.480  -0.896
  283    HA   LYS  32           HA       LYS  32  24.431 -25.369   0.393
  284    HB2  LYS  32           HB2      LYS  32  21.700 -25.043  -0.329
  285    HB3  LYS  32           HB1      LYS  32  22.049 -26.772  -0.339
  286    HG2  LYS  32           HG2      LYS  32  22.971 -26.634   1.919
  287    HG3  LYS  32           HG1      LYS  32  22.734 -24.886   1.934
  288    HD2  LYS  32           HD2      LYS  32  20.274 -26.227   1.209
  289    HD3  LYS  32           HD1      LYS  32  20.883 -26.848   2.744
  290    HE2  LYS  32           HE2      LYS  32  20.991 -24.622   3.679
  291    HE3  LYS  32           HE1      LYS  32  20.612 -23.895   2.117
  292    HZ1  LYS  32           HZ1      LYS  32  18.663 -23.993   3.530
  293    HZ2  LYS  32           HZ2      LYS  32  18.826 -25.676   3.683
  294    HZ3  LYS  32           HZ3      LYS  32  18.458 -24.989   2.173
  Start of MODEL   31
    1    H1   LYS   1           HT1      LYS   1  23.617  17.302   0.935
    2    H2   LYS   1           HT2      LYS   1  23.795  16.750  -0.661
    3    H3   LYS   1           HT3      LYS   1  23.761  15.641   0.625
    4    HA   LYS   1           HA       LYS   1  21.462  16.307   1.119
    5    HB2  LYS   1           HB2      LYS   1  21.633  18.565   0.104
    6    HB3  LYS   1           HB1      LYS   1  21.764  17.824  -1.491
    7    HG2  LYS   1           HG2      LYS   1  19.551  17.024  -1.438
    8    HG3  LYS   1           HG1      LYS   1  19.438  17.187   0.315
    9    HD2  LYS   1           HD2      LYS   1  19.068  19.467   0.220
   10    HD3  LYS   1           HD1      LYS   1  19.948  19.654  -1.297
   11    HE2  LYS   1           HE2      LYS   1  17.431  19.914  -1.486
   12    HE3  LYS   1           HE1      LYS   1  18.137  18.708  -2.560
   13    HZ1  LYS   1           HZ1      LYS   1  16.156  18.337  -0.640
   14    HZ2  LYS   1           HZ2      LYS   1  17.534  17.506  -0.094
   15    HZ3  LYS   1           HZ3      LYS   1  16.884  17.163  -1.625
   16    H    LYS   2           HN       LYS   2  23.485  14.937  -1.155
   17    HA   LYS   2           HA       LYS   2  21.787  13.740  -3.021
   18    HB2  LYS   2           HB2      LYS   2  23.580  11.884  -2.993
   19    HB3  LYS   2           HB1      LYS   2  24.092  13.513  -3.431
   20    HG2  LYS   2           HG2      LYS   2  25.367  13.747  -1.567
   21    HG3  LYS   2           HG1      LYS   2  24.167  12.969  -0.535
   22    HD2  LYS   2           HD2      LYS   2  24.861  10.758  -1.391
   23    HD3  LYS   2           HD1      LYS   2  26.068  11.535  -2.416
   24    HE2  LYS   2           HE2      LYS   2  27.396  11.049  -0.594
   25    HE3  LYS   2           HE1      LYS   2  26.794  12.626  -0.087
   26    HZ1  LYS   2           HZ1      LYS   2  26.555  10.341   1.332
   27    HZ2  LYS   2           HZ2      LYS   2  25.036  10.451   0.577
   28    HZ3  LYS   2           HZ3      LYS   2  25.601  11.725   1.548
   29    H    HIS   3           HN       HIS   3  22.564  12.813   0.290
   30    HA   HIS   3           HA       HIS   3  20.169  11.268   0.536
   31    HB2  HIS   3           HB2      HIS   3  21.677   9.702  -0.746
   32    HB3  HIS   3           HB1      HIS   3  22.752   9.701   0.651
   33    HD2  HIS   3           HD2      HIS   3  21.919   6.876   0.914
   34    HE1  HIS   3           HE1      HIS   3  18.161   7.898   2.542
   35    HE2  HIS   3           HE2      HIS   3  19.798   5.996   2.158
   36    H    THR   4           HN       THR   4  22.146   9.586   2.417
   37    HA   THR   4           HA       THR   4  22.080  11.553   4.631
   38    HB   THR   4           HB       THR   4  20.420   9.869   5.074
   39    HG1  THR   4           HG1      THR   4  21.185   9.846   7.008
   40   HG21  THR   4          HG21      THR   4  21.948   7.477   5.255
   41   HG22  THR   4          HG22      THR   4  22.265   8.182   3.669
   42   HG23  THR   4          HG23      THR   4  20.611   7.826   4.165
   43    H    ILE   5           HN       ILE   5  23.329   8.647   5.618
   44    HA   ILE   5           HA       ILE   5  26.100   9.599   5.241
   45    HB   ILE   5           HB       ILE   5  26.504   8.049   7.265
   46   HG12  ILE   5          HG12      ILE   5  23.744   8.603   8.138
   47   HG13  ILE   5          HG11      ILE   5  23.862   7.402   6.850
   48   HG21  ILE   5          HG21      ILE   5  25.273   9.961   8.723
   49   HG22  ILE   5          HG22      ILE   5  25.255  10.742   7.142
   50   HG23  ILE   5          HG23      ILE   5  26.785  10.243   7.862
   51   HD11  ILE   5          HD11      ILE   5  24.030   6.526   9.259
   52   HD12  ILE   5          HD12      ILE   5  25.621   7.285   9.299
   53   HD13  ILE   5          HD13      ILE   5  25.284   6.004   8.133
   54    H    TRP   6           HN       TRP   6  23.860   7.034   4.686
   55    HA   TRP   6           HA       TRP   6  25.368   4.767   4.451
   56    HB2  TRP   6           HB2      TRP   6  22.926   5.764   3.287
   57    HB3  TRP   6           HB1      TRP   6  23.831   4.837   2.091
   58    HD1  TRP   6           HD1      TRP   6  22.684   2.555   2.105
   59    HE1  TRP   6           HE1      TRP   6  22.162   0.780   3.895
   60    HE3  TRP   6           HE3      TRP   6  23.995   5.138   6.300
   61    HZ2  TRP   6           HZ2      TRP   6  22.282   0.498   6.732
   62    HZ3  TRP   6           HZ3      TRP   6  23.781   4.094   8.539
   63    HH2  TRP   6           HH2      TRP   6  22.927   1.778   8.761
   64    H    GLU   7           HN       GLU   7  24.916   7.127   1.808
   65    HA   GLU   7           HA       GLU   7  26.761   6.004   0.034
   66    HB2  GLU   7           HB2      GLU   7  25.244   8.448   0.268
   67    HB3  GLU   7           HB1      GLU   7  26.856   8.776  -0.368
   68    HG2  GLU   7           HG2      GLU   7  25.022   6.614  -1.437
   69    HG3  GLU   7           HG1      GLU   7  25.162   8.225  -2.143
   70    H    VAL   8           HN       VAL   8  27.375   7.340   3.035
   71    HA   VAL   8           HA       VAL   8  30.105   8.172   2.299
   72    HB   VAL   8           HB       VAL   8  28.813   8.602   4.987
   73   HG11  VAL   8          HG11      VAL   8  31.353   8.875   4.408
   74   HG12  VAL   8          HG12      VAL   8  30.538  10.144   5.324
   75   HG13  VAL   8          HG13      VAL   8  30.825  10.349   3.596
   76   HG21  VAL   8          HG21      VAL   8  28.164  10.843   4.163
   77   HG22  VAL   8          HG22      VAL   8  27.338   9.578   3.256
   78   HG23  VAL   8          HG23      VAL   8  28.722  10.410   2.548
   79    H    ILE   9           HN       ILE   9  28.273   6.009   4.415
   80    HA   ILE   9           HA       ILE   9  30.791   4.650   5.125
   81    HB   ILE   9           HB       ILE   9  29.952   5.302   7.163
   82   HG12  ILE   9          HG12      ILE   9  29.808   2.624   6.736
   83   HG13  ILE   9          HG11      ILE   9  29.479   3.380   8.280
   84   HG21  ILE   9          HG21      ILE   9  27.468   5.292   7.677
   85   HG22  ILE   9          HG22      ILE   9  27.213   4.990   5.956
   86   HG23  ILE   9          HG23      ILE   9  28.023   6.462   6.487
   87   HD11  ILE   9          HD11      ILE   9  27.129   3.279   7.977
   88   HD12  ILE   9          HD12      ILE   9  27.725   1.711   7.437
   89   HD13  ILE   9          HD13      ILE   9  27.278   2.936   6.257
   90    H    ALA  10           HN       ALA  10  27.386   4.134   4.260
   91    HA   ALA  10           HA       ALA  10  27.674   1.310   3.904
   92    HB1  ALA  10           HB1      ALA  10  25.493   2.437   4.314
   93    HB2  ALA  10           HB2      ALA  10  25.475   1.406   2.884
   94    HB3  ALA  10           HB3      ALA  10  25.598   3.156   2.707
   95    H    GLY  11           HN       GLY  11  27.007   3.814   1.438
   96    HA2  GLY  11           HA2      GLY  11  27.651   2.301  -0.797
   97    HA3  GLY  11           HA1      GLY  11  27.818   4.055  -0.711
   98    H    LEU  12           HN       LEU  12  29.626   3.339   1.729
   99    HA   LEU  12           HA       LEU  12  32.081   3.108   0.136
  100    HB2  LEU  12           HB2      LEU  12  31.669   5.094   1.701
  101    HB3  LEU  12           HB1      LEU  12  31.906   3.952   3.025
  102    HG   LEU  12           HG       LEU  12  34.064   3.328   1.547
  103   HD11  LEU  12          HD11      LEU  12  33.598   6.284   1.044
  104   HD12  LEU  12          HD12      LEU  12  33.496   5.021  -0.183
  105   HD13  LEU  12          HD13      LEU  12  35.040   5.371   0.598
  106   HD21  LEU  12          HD21      LEU  12  35.330   4.923   3.014
  107   HD22  LEU  12          HD22      LEU  12  34.138   3.968   3.897
  108   HD23  LEU  12          HD23      LEU  12  33.793   5.648   3.485
  109    H    VAL  13           HN       VAL  13  30.177   1.570   2.612
  110    HA   VAL  13           HA       VAL  13  32.272  -0.501   2.928
  111    HB   VAL  13           HB       VAL  13  30.083   0.260   4.876
  112   HG11  VAL  13          HG11      VAL  13  32.044  -1.294   6.125
  113   HG12  VAL  13          HG12      VAL  13  31.772  -2.092   4.575
  114   HG13  VAL  13          HG13      VAL  13  30.422  -1.820   5.676
  115   HG21  VAL  13          HG21      VAL  13  33.031   0.480   5.398
  116   HG22  VAL  13          HG22      VAL  13  31.702   1.390   6.117
  117   HG23  VAL  13          HG23      VAL  13  32.235   1.754   4.475
  118    H    ALA  14           HN       ALA  14  28.724  -0.090   3.066
  119    HA   ALA  14           HA       ALA  14  27.907  -2.690   2.888
  120    HB1  ALA  14           HB1      ALA  14  25.914  -1.890   1.702
  121    HB2  ALA  14           HB2      ALA  14  26.740  -0.380   1.313
  122    HB3  ALA  14           HB3      ALA  14  26.357  -0.770   2.991
  123    H    LEU  15           HN       LEU  15  29.062  -0.646   0.227
  124    HA   LEU  15           HA       LEU  15  28.640  -2.611  -1.796
  125    HB2  LEU  15           HB2      LEU  15  28.896  -0.174  -2.267
  126    HB3  LEU  15           HB1      LEU  15  30.587  -0.287  -1.787
  127    HG   LEU  15           HG       LEU  15  30.969  -1.971  -3.573
  128   HD11  LEU  15          HD11      LEU  15  28.972  -1.848  -5.350
  129   HD12  LEU  15          HD12      LEU  15  28.019  -1.607  -3.886
  130   HD13  LEU  15          HD13      LEU  15  28.996  -3.061  -4.071
  131   HD21  LEU  15          HD21      LEU  15  31.454   0.325  -4.118
  132   HD22  LEU  15          HD22      LEU  15  29.747   0.677  -4.393
  133   HD23  LEU  15          HD23      LEU  15  30.622  -0.374  -5.507
  134    H    LEU  16           HN       LEU  16  31.234  -1.850   0.421
  135    HA   LEU  16           HA       LEU  16  33.037  -3.792  -0.809
  136    HB2  LEU  16           HB2      LEU  16  33.504  -2.249   1.740
  137    HB3  LEU  16           HB1      LEU  16  34.702  -2.958   0.657
  138    HG   LEU  16           HG       LEU  16  32.870  -0.625   0.036
  139   HD11  LEU  16          HD11      LEU  16  34.853   0.705   0.040
  140   HD12  LEU  16          HD12      LEU  16  35.894  -0.718   0.081
  141   HD13  LEU  16          HD13      LEU  16  34.942  -0.278   1.500
  142   HD21  LEU  16          HD21      LEU  16  34.727  -2.286  -1.664
  143   HD22  LEU  16          HD22      LEU  16  34.390  -0.603  -2.076
  144   HD23  LEU  16          HD23      LEU  16  33.074  -1.776  -2.011
  145    H    THR  17           HN       THR  17  30.453  -3.928   1.203
  146    HA   THR  17           HA       THR  17  31.521  -6.247   2.694
  147    HB   THR  17           HB       THR  17  29.690  -4.039   3.511
  148    HG1  THR  17           HG1      THR  17  31.796  -5.549   4.623
  149   HG21  THR  17          HG21      THR  17  28.186  -5.825   3.900
  150   HG22  THR  17          HG22      THR  17  29.006  -5.601   5.445
  151   HG23  THR  17          HG23      THR  17  29.483  -6.921   4.379
  152    H    PHE  18           HN       PHE  18  28.367  -4.914   1.681
  153    HA   PHE  18           HA       PHE  18  26.871  -7.199   1.646
  154    HB2  PHE  18           HB2      PHE  18  26.264  -4.751   0.971
  155    HB3  PHE  18           HB1      PHE  18  26.651  -5.292  -0.663
  156    HD1  PHE  18           HD1      PHE  18  24.426  -5.801   2.247
  157    HD2  PHE  18           HD2      PHE  18  25.264  -6.902  -1.819
  158    HE1  PHE  18           HE1      PHE  18  22.214  -6.910   2.091
  159    HE2  PHE  18           HE2      PHE  18  23.054  -8.012  -1.974
  160    HZ   PHE  18           HZ       PHE  18  21.527  -8.017  -0.021
  161    H    LEU  19           HN       LEU  19  29.123  -6.104  -0.863
  162    HA   LEU  19           HA       LEU  19  28.536  -8.292  -2.636
  163    HB2  LEU  19           HB2      LEU  19  30.636  -6.137  -2.556
  164    HB3  LEU  19           HB1      LEU  19  30.738  -7.449  -3.727
  165    HG   LEU  19           HG       LEU  19  29.548  -5.390  -4.580
  166   HD11  LEU  19          HD11      LEU  19  28.372  -6.742  -5.954
  167   HD12  LEU  19          HD12      LEU  19  27.344  -7.301  -4.636
  168   HD13  LEU  19          HD13      LEU  19  28.893  -8.084  -4.939
  169   HD21  LEU  19          HD21      LEU  19  27.310  -6.247  -2.743
  170   HD22  LEU  19          HD22      LEU  19  27.429  -4.769  -3.697
  171   HD23  LEU  19          HD23      LEU  19  28.462  -4.996  -2.286
  172    H    ALA  20           HN       ALA  20  30.507  -7.894   0.134
  173    HA   ALA  20           HA       ALA  20  32.308 -10.081  -0.592
  174    HB1  ALA  20           HB1      ALA  20  33.703  -9.114   0.876
  175    HB2  ALA  20           HB2      ALA  20  32.506  -9.244   2.165
  176    HB3  ALA  20           HB3      ALA  20  32.506  -7.837   1.101
  177    H    PHE  21           HN       PHE  21  29.858  -9.339   1.879
  178    HA   PHE  21           HA       PHE  21  29.870 -12.031   2.916
  179    HB2  PHE  21           HB2      PHE  21  28.140  -9.607   3.428
  180    HB3  PHE  21           HB1      PHE  21  27.858 -11.164   4.206
  181    HD1  PHE  21           HD1      PHE  21  30.657  -8.760   3.526
  182    HD2  PHE  21           HD2      PHE  21  28.919 -11.598   6.243
  183    HE1  PHE  21           HE1      PHE  21  32.418  -8.243   5.190
  184    HE2  PHE  21           HE2      PHE  21  30.682 -11.079   7.907
  185    HZ   PHE  21           HZ       PHE  21  32.431  -9.403   7.380
  186    H    GLY  22           HN       GLY  22  27.700 -10.009   0.960
  187    HA2  GLY  22           HA2      GLY  22  25.583 -11.769   0.602
  188    HA3  GLY  22           HA1      GLY  22  26.106 -10.594  -0.602
  189    H    PHE  23           HN       PHE  23  28.578 -11.462  -1.301
  190    HA   PHE  23           HA       PHE  23  28.220 -13.316  -3.263
  191    HB2  PHE  23           HB2      PHE  23  30.464 -12.106  -1.988
  192    HB3  PHE  23           HB1      PHE  23  30.801 -13.827  -2.164
  193    HD1  PHE  23           HD1      PHE  23  29.436 -10.910  -4.078
  194    HD2  PHE  23           HD2      PHE  23  31.523 -14.662  -4.233
  195    HE1  PHE  23           HE1      PHE  23  29.835 -10.589  -6.504
  196    HE2  PHE  23           HE2      PHE  23  31.921 -14.341  -6.658
  197    HZ   PHE  23           HZ       PHE  23  31.074 -12.307  -7.794
  198    H    TRP  24           HN       TRP  24  29.881 -14.177  -0.232
  199    HA   TRP  24           HA       TRP  24  29.669 -16.938  -0.517
  200    HB2  TRP  24           HB2      TRP  24  31.155 -16.152   1.143
  201    HB3  TRP  24           HB1      TRP  24  29.902 -15.184   1.920
  202    HD1  TRP  24           HD1      TRP  24  30.549 -18.915   1.126
  203    HE1  TRP  24           HE1      TRP  24  29.629 -20.323   3.081
  204    HE3  TRP  24           HE3      TRP  24  28.596 -15.211   4.027
  205    HZ2  TRP  24           HZ2      TRP  24  28.247 -19.926   5.548
  206    HZ3  TRP  24           HZ3      TRP  24  27.478 -15.747   6.176
  207    HH2  TRP  24           HH2      TRP  24  27.303 -18.099   6.940
  208    H    LEU  25           HN       LEU  25  27.761 -15.035   1.807
  209    HA   LEU  25           HA       LEU  25  25.902 -16.591   2.765
  210    HB2  LEU  25           HB2      LEU  25  25.621 -13.904   1.536
  211    HB3  LEU  25           HB1      LEU  25  24.128 -14.757   1.931
  212    HG   LEU  25           HG       LEU  25  26.323 -14.674   3.963
  213   HD11  LEU  25          HD11      LEU  25  24.345 -12.434   3.448
  214   HD12  LEU  25          HD12      LEU  25  26.090 -12.337   3.212
  215   HD13  LEU  25          HD13      LEU  25  25.431 -12.542   4.834
  216   HD21  LEU  25          HD21      LEU  25  24.381 -14.698   5.497
  217   HD22  LEU  25          HD22      LEU  25  24.294 -16.033   4.350
  218   HD23  LEU  25          HD23      LEU  25  23.292 -14.602   4.114
  219    H    PHE  26           HN       PHE  26  25.171 -15.244  -0.464
  220    HA   PHE  26           HA       PHE  26  23.147 -17.185  -0.926
  221    HB2  PHE  26           HB2      PHE  26  24.537 -15.611  -3.085
  222    HB3  PHE  26           HB1      PHE  26  22.865 -16.177  -3.042
  223    HD1  PHE  26           HD2      PHE  26  21.648 -15.413  -0.691
  224    HD2  PHE  26           HD1      PHE  26  24.778 -13.314  -2.752
  225    HE1  PHE  26           HE2      PHE  26  20.953 -13.305   0.403
  226    HE2  PHE  26           HE1      PHE  26  24.083 -11.203  -1.655
  227    HZ   PHE  26           HZ       PHE  26  22.174 -11.198  -0.075
  228    H    LYS  27           HN       LYS  27  26.421 -16.780  -2.301
  229    HA   LYS  27           HA       LYS  27  26.318 -19.181  -3.813
  230    HB2  LYS  27           HB2      LYS  27  28.722 -17.625  -2.831
  231    HB3  LYS  27           HB1      LYS  27  28.745 -18.873  -4.078
  232    HG2  LYS  27           HG2      LYS  27  27.277 -17.561  -5.498
  233    HG3  LYS  27           HG1      LYS  27  27.068 -16.351  -4.231
  234    HD2  LYS  27           HD2      LYS  27  29.109 -15.405  -4.609
  235    HD3  LYS  27           HD1      LYS  27  29.867 -16.950  -4.996
  236    HE2  LYS  27           HE2      LYS  27  29.513 -15.216  -6.918
  237    HE3  LYS  27           HE1      LYS  27  29.120 -16.909  -7.220
  238    HZ1  LYS  27           HZ1      LYS  27  27.432 -14.925  -7.692
  239    HZ2  LYS  27           HZ2      LYS  27  27.000 -15.273  -6.086
  240    HZ3  LYS  27           HZ3      LYS  27  26.922 -16.488  -7.271
  241    H    TYR  28           HN       TYR  28  25.551 -19.548  -1.021
  242    HA   TYR  28           HA       TYR  28  27.070 -21.937  -0.478
  243    HB2  TYR  28           HB2      TYR  28  28.536 -20.970   0.943
  244    HB3  TYR  28           HB1      TYR  28  27.620 -19.467   1.002
  245    HD1  TYR  28           HD2      TYR  28  27.548 -22.994   2.221
  246    HD2  TYR  28           HD1      TYR  28  26.332 -18.931   2.891
  247    HE1  TYR  28           HE2      TYR  28  26.644 -23.633   4.444
  248    HE2  TYR  28           HE1      TYR  28  25.429 -19.567   5.112
  249    HH   TYR  28           HH       TYR  28  25.348 -21.192   6.666
  250    H    LEU  29           HN       LEU  29  24.753 -19.546   0.741
  251    HA   LEU  29           HA       LEU  29  23.247 -21.636   2.105
  252    HB2  LEU  29           HB2      LEU  29  23.731 -19.202   2.954
  253    HB3  LEU  29           HB1      LEU  29  22.366 -18.774   1.923
  254    HG   LEU  29           HG       LEU  29  21.350 -20.943   3.214
  255   HD11  LEU  29          HD11      LEU  29  23.087 -19.491   5.230
  256   HD12  LEU  29          HD12      LEU  29  23.408 -21.113   4.614
  257   HD13  LEU  29          HD13      LEU  29  21.961 -20.804   5.573
  258   HD21  LEU  29          HD21      LEU  29  20.175 -19.290   4.647
  259   HD22  LEU  29          HD22      LEU  29  20.266 -18.751   2.971
  260   HD23  LEU  29          HD23      LEU  29  21.354 -18.065   4.177
  261    H    GLN  30           HN       GLN  30  22.981 -19.494  -0.672
  262    HA   GLN  30           HA       GLN  30  20.275 -20.407  -1.274
  263    HB2  GLN  30           HB2      GLN  30  20.633 -18.111  -1.740
  264    HB3  GLN  30           HB1      GLN  30  22.162 -18.431  -2.545
  265    HG2  GLN  30           HG2      GLN  30  21.138 -19.300  -4.455
  266    HG3  GLN  30           HG1      GLN  30  19.605 -19.578  -3.621
  267   HE21  GLN  30          HE21      GLN  30  20.908 -16.554  -2.715
  268   HE22  GLN  30          HE22      GLN  30  20.007 -15.586  -3.774
  269    H    LYS  31           HN       LYS  31  23.287 -21.657  -1.624
  270    HA   LYS  31           HA       LYS  31  22.672 -22.972  -4.199
  271    HB2  LYS  31           HB2      LYS  31  25.147 -21.966  -2.980
  272    HB3  LYS  31           HB1      LYS  31  25.290 -23.603  -3.618
  273    HG2  LYS  31           HG2      LYS  31  25.851 -21.993  -5.366
  274    HG3  LYS  31           HG1      LYS  31  24.347 -22.810  -5.785
  275    HD2  LYS  31           HD2      LYS  31  23.648 -20.548  -4.203
  276    HD3  LYS  31           HD1      LYS  31  24.817 -19.997  -5.404
  277    HE2  LYS  31           HE2      LYS  31  23.443 -21.165  -7.169
  278    HE3  LYS  31           HE1      LYS  31  22.220 -21.465  -5.934
  279    HZ1  LYS  31           HZ1      LYS  31  22.647 -18.859  -5.601
  280    HZ2  LYS  31           HZ2      LYS  31  21.451 -19.490  -6.631
  281    HZ3  LYS  31           HZ3      LYS  31  22.946 -18.993  -7.265
  282    H    LYS  32           HN       LYS  32  22.161 -23.508  -1.079
  283    HA   LYS  32           HA       LYS  32  23.132 -26.280  -1.019
  284    HB2  LYS  32           HB2      LYS  32  22.475 -26.260   1.332
  285    HB3  LYS  32           HB1      LYS  32  23.493 -24.864   0.979
  286    HG2  LYS  32           HG2      LYS  32  21.857 -23.573   1.839
  287    HG3  LYS  32           HG1      LYS  32  20.886 -23.996   0.428
  288    HD2  LYS  32           HD2      LYS  32  20.155 -26.074   1.676
  289    HD3  LYS  32           HD1      LYS  32  20.943 -25.408   3.107
  290    HE2  LYS  32           HE2      LYS  32  18.863 -24.508   3.456
  291    HE3  LYS  32           HE1      LYS  32  19.483 -23.261   2.374
  292    HZ1  LYS  32           HZ1      LYS  32  18.145 -23.913   0.719
  293    HZ2  LYS  32           HZ2      LYS  32  17.228 -24.641   1.951
  294    HZ3  LYS  32           HZ3      LYS  32  18.337 -25.564   1.054
  Start of MODEL   32
    1    H1   LYS   1           HT1      LYS   1  23.983  17.844  -0.699
    2    H2   LYS   1           HT2      LYS   1  22.604  18.812  -0.922
    3    H3   LYS   1           HT3      LYS   1  23.018  17.639  -2.080
    4    HA   LYS   1           HA       LYS   1  22.752  16.460   0.488
    5    HB2  LYS   1           HB2      LYS   1  20.475  18.130  -0.593
    6    HB3  LYS   1           HB1      LYS   1  20.210  16.772   0.499
    7    HG2  LYS   1           HG2      LYS   1  21.007  17.905   2.300
    8    HG3  LYS   1           HG1      LYS   1  22.323  18.629   1.376
    9    HD2  LYS   1           HD2      LYS   1  20.758  20.248   0.385
   10    HD3  LYS   1           HD1      LYS   1  19.424  19.517   1.280
   11    HE2  LYS   1           HE2      LYS   1  21.681  20.212   3.006
   12    HE3  LYS   1           HE1      LYS   1  21.011  21.614   2.172
   13    HZ1  LYS   1           HZ1      LYS   1  19.308  21.582   3.562
   14    HZ2  LYS   1           HZ2      LYS   1  19.952  20.229   4.362
   15    HZ3  LYS   1           HZ3      LYS   1  18.891  20.020   3.053
   16    H    LYS   2           HN       LYS   2  23.355  14.627  -0.629
   17    HA   LYS   2           HA       LYS   2  21.761  13.822  -2.963
   18    HB2  LYS   2           HB2      LYS   2  23.532  11.900  -2.917
   19    HB3  LYS   2           HB1      LYS   2  24.015  13.505  -3.468
   20    HG2  LYS   2           HG2      LYS   2  25.287  13.914  -1.602
   21    HG3  LYS   2           HG1      LYS   2  24.220  12.987  -0.545
   22    HD2  LYS   2           HD2      LYS   2  25.172  10.926  -1.191
   23    HD3  LYS   2           HD1      LYS   2  25.903  11.618  -2.639
   24    HE2  LYS   2           HE2      LYS   2  26.734  12.812  -0.047
   25    HE3  LYS   2           HE1      LYS   2  27.304  11.175  -0.375
   26    HZ1  LYS   2           HZ1      LYS   2  28.077  13.656  -1.588
   27    HZ2  LYS   2           HZ2      LYS   2  27.682  12.462  -2.731
   28    HZ3  LYS   2           HZ3      LYS   2  28.883  12.165  -1.569
   29    H    HIS   3           HN       HIS   3  22.581  12.840   0.322
   30    HA   HIS   3           HA       HIS   3  20.164  11.317   0.569
   31    HB2  HIS   3           HB2      HIS   3  21.701   9.754  -0.704
   32    HB3  HIS   3           HB1      HIS   3  22.739   9.742   0.723
   33    HD2  HIS   3           HD2      HIS   3  21.876   6.915   0.925
   34    HE1  HIS   3           HE1      HIS   3  18.100   7.954   2.500
   35    HE2  HIS   3           HE2      HIS   3  19.725   6.041   2.121
   36    H    THR   4           HN       THR   4  22.079   9.624   2.477
   37    HA   THR   4           HA       THR   4  22.025  11.606   4.679
   38    HB   THR   4           HB       THR   4  20.356   9.946   5.134
   39    HG1  THR   4           HG1      THR   4  22.167   8.701   6.680
   40   HG21  THR   4          HG21      THR   4  22.197   8.230   3.734
   41   HG22  THR   4          HG22      THR   4  20.516   7.926   4.170
   42   HG23  THR   4          HG23      THR   4  21.804   7.520   5.300
   43    H    ILE   5           HN       ILE   5  23.252   8.649   5.613
   44    HA   ILE   5           HA       ILE   5  26.031   9.607   5.297
   45    HB   ILE   5           HB       ILE   5  26.405   8.033   7.308
   46   HG12  ILE   5          HG12      ILE   5  23.636   8.585   8.151
   47   HG13  ILE   5          HG11      ILE   5  23.767   7.399   6.852
   48   HG21  ILE   5          HG21      ILE   5  25.428   9.863   8.861
   49   HG22  ILE   5          HG22      ILE   5  24.941  10.667   7.368
   50   HG23  ILE   5          HG23      ILE   5  26.646  10.350   7.683
   51   HD11  ILE   5          HD11      ILE   5  25.173   5.984   8.137
   52   HD12  ILE   5          HD12      ILE   5  23.901   6.490   9.249
   53   HD13  ILE   5          HD13      ILE   5  25.491   7.249   9.324
   54    H    TRP   6           HN       TRP   6  23.789   7.046   4.705
   55    HA   TRP   6           HA       TRP   6  25.298   4.782   4.454
   56    HB2  TRP   6           HB2      TRP   6  22.867   5.796   3.272
   57    HB3  TRP   6           HB1      TRP   6  23.784   4.872   2.082
   58    HD1  TRP   6           HD1      TRP   6  22.609   2.603   2.070
   59    HE1  TRP   6           HE1      TRP   6  22.062   0.816   3.840
   60    HE3  TRP   6           HE3      TRP   6  23.922   5.135   6.296
   61    HZ2  TRP   6           HZ2      TRP   6  22.169   0.505   6.676
   62    HZ3  TRP   6           HZ3      TRP   6  23.691   4.071   8.523
   63    HH2  TRP   6           HH2      TRP   6  22.817   1.760   8.719
   64    H    GLU   7           HN       GLU   7  24.853   7.144   1.812
   65    HA   GLU   7           HA       GLU   7  26.728   6.041   0.058
   66    HB2  GLU   7           HB2      GLU   7  25.211   8.499   0.294
   67    HB3  GLU   7           HB1      GLU   7  26.814   8.792  -0.381
   68    HG2  GLU   7           HG2      GLU   7  24.942   6.626  -1.372
   69    HG3  GLU   7           HG1      GLU   7  25.057   8.228  -2.102
   70    H    VAL   8           HN       VAL   8  27.321   7.312   3.072
   71    HA   VAL   8           HA       VAL   8  30.047   8.191   2.361
   72    HB   VAL   8           HB       VAL   8  28.737   8.612   5.039
   73   HG11  VAL   8          HG11      VAL   8  30.437  10.192   5.368
   74   HG12  VAL   8          HG12      VAL   8  30.740  10.366   3.639
   75   HG13  VAL   8          HG13      VAL   8  31.271   8.913   4.486
   76   HG21  VAL   8          HG21      VAL   8  28.631  10.420   2.600
   77   HG22  VAL   8          HG22      VAL   8  28.059  10.843   4.215
   78   HG23  VAL   8          HG23      VAL   8  27.253   9.569   3.302
   79    H    ILE   9           HN       ILE   9  28.202   6.009   4.440
   80    HA   ILE   9           HA       ILE   9  30.718   4.660   5.174
   81    HB   ILE   9           HB       ILE   9  29.861   5.300   7.208
   82   HG12  ILE   9          HG12      ILE   9  29.723   2.625   6.766
   83   HG13  ILE   9          HG11      ILE   9  29.377   3.373   8.311
   84   HG21  ILE   9          HG21      ILE   9  27.370   5.284   7.699
   85   HG22  ILE   9          HG22      ILE   9  27.132   4.991   5.974
   86   HG23  ILE   9          HG23      ILE   9  27.933   6.460   6.519
   87   HD11  ILE   9          HD11      ILE   9  27.031   3.268   7.982
   88   HD12  ILE   9          HD12      ILE   9  27.636   1.705   7.442
   89   HD13  ILE   9          HD13      ILE   9  27.200   2.932   6.263
   90    H    ALA  10           HN       ALA  10  27.324   4.152   4.272
   91    HA   ALA  10           HA       ALA  10  27.610   1.327   3.903
   92    HB1  ALA  10           HB1      ALA  10  25.417   1.437   2.868
   93    HB2  ALA  10           HB2      ALA  10  25.544   3.188   2.708
   94    HB3  ALA  10           HB3      ALA  10  25.427   2.453   4.308
   95    H    GLY  11           HN       GLY  11  26.956   3.846   1.448
   96    HA2  GLY  11           HA2      GLY  11  27.610   2.349  -0.792
   97    HA3  GLY  11           HA1      GLY  11  27.790   4.101  -0.694
   98    H    LEU  12           HN       LEU  12  29.584   3.367   1.751
   99    HA   LEU  12           HA       LEU  12  32.041   3.122   0.165
  100    HB2  LEU  12           HB2      LEU  12  31.653   5.108   1.726
  101    HB3  LEU  12           HB1      LEU  12  31.854   3.961   3.054
  102    HG   LEU  12           HG       LEU  12  34.011   3.314   1.545
  103   HD11  LEU  12          HD11      LEU  12  33.421   5.173  -0.055
  104   HD12  LEU  12          HD12      LEU  12  35.031   5.320   0.652
  105   HD13  LEU  12          HD13      LEU  12  33.708   6.317   1.256
  106   HD21  LEU  12          HD21      LEU  12  34.039   3.835   3.942
  107   HD22  LEU  12          HD22      LEU  12  33.811   5.548   3.592
  108   HD23  LEU  12          HD23      LEU  12  35.308   4.743   3.121
  109    H    VAL  13           HN       VAL  13  30.131   1.591   2.644
  110    HA   VAL  13           HA       VAL  13  32.218  -0.488   2.958
  111    HB   VAL  13           HB       VAL  13  30.004   0.257   4.883
  112   HG11  VAL  13          HG11      VAL  13  32.167  -1.854   4.900
  113   HG12  VAL  13          HG12      VAL  13  30.430  -2.073   5.120
  114   HG13  VAL  13          HG13      VAL  13  31.388  -1.297   6.381
  115   HG21  VAL  13          HG21      VAL  13  31.609   1.379   6.151
  116   HG22  VAL  13          HG22      VAL  13  32.163   1.754   4.520
  117   HG23  VAL  13          HG23      VAL  13  32.946   0.473   5.444
  118    H    ALA  14           HN       ALA  14  28.671  -0.064   3.022
  119    HA   ALA  14           HA       ALA  14  27.841  -2.659   2.828
  120    HB1  ALA  14           HB1      ALA  14  26.774  -0.218   1.398
  121    HB2  ALA  14           HB2      ALA  14  26.197  -0.919   2.910
  122    HB3  ALA  14           HB3      ALA  14  25.949  -1.778   1.389
  123    H    LEU  15           HN       LEU  15  28.934  -0.597   0.139
  124    HA   LEU  15           HA       LEU  15  28.603  -2.568  -1.868
  125    HB2  LEU  15           HB2      LEU  15  28.864  -0.142  -2.346
  126    HB3  LEU  15           HB1      LEU  15  30.538  -0.235  -1.809
  127    HG   LEU  15           HG       LEU  15  31.006  -1.908  -3.581
  128   HD11  LEU  15          HD11      LEU  15  28.059  -1.597  -3.989
  129   HD12  LEU  15          HD12      LEU  15  29.062  -3.041  -4.119
  130   HD13  LEU  15          HD13      LEU  15  29.065  -1.846  -5.416
  131   HD21  LEU  15          HD21      LEU  15  30.031  -0.068  -5.454
  132   HD22  LEU  15          HD22      LEU  15  31.607  -0.024  -4.664
  133   HD23  LEU  15          HD23      LEU  15  30.252   0.874  -3.980
  134    H    LEU  16           HN       LEU  16  31.129  -1.847   0.429
  135    HA   LEU  16           HA       LEU  16  32.952  -3.790  -0.780
  136    HB2  LEU  16           HB2      LEU  16  33.407  -2.216   1.750
  137    HB3  LEU  16           HB1      LEU  16  34.611  -2.941   0.683
  138    HG   LEU  16           HG       LEU  16  32.792  -0.606   0.032
  139   HD11  LEU  16          HD11      LEU  16  34.889  -0.277   1.478
  140   HD12  LEU  16          HD12      LEU  16  34.777   0.709   0.020
  141   HD13  LEU  16          HD13      LEU  16  35.813  -0.719   0.043
  142   HD21  LEU  16          HD21      LEU  16  32.970  -1.785  -2.002
  143   HD22  LEU  16          HD22      LEU  16  34.619  -2.307  -1.660
  144   HD23  LEU  16          HD23      LEU  16  34.297  -0.626  -2.088
  145    H    THR  17           HN       THR  17  30.337  -3.956   1.166
  146    HA   THR  17           HA       THR  17  31.417  -6.250   2.690
  147    HB   THR  17           HB       THR  17  29.556  -4.061   3.518
  148    HG1  THR  17           HG1      THR  17  31.927  -5.208   4.281
  149   HG21  THR  17          HG21      THR  17  29.490  -6.939   4.408
  150   HG22  THR  17          HG22      THR  17  28.138  -5.884   3.994
  151   HG23  THR  17          HG23      THR  17  29.019  -5.638   5.501
  152    H    PHE  18           HN       PHE  18  28.286  -4.891   1.638
  153    HA   PHE  18           HA       PHE  18  26.692  -7.082   1.674
  154    HB2  PHE  18           HB2      PHE  18  26.273  -4.669   0.731
  155    HB3  PHE  18           HB1      PHE  18  26.664  -5.415  -0.819
  156    HD1  PHE  18           HD2      PHE  18  24.497  -5.828   2.201
  157    HD2  PHE  18           HD1      PHE  18  25.041  -6.677  -1.975
  158    HE1  PHE  18           HE2      PHE  18  22.219  -6.803   2.101
  159    HE2  PHE  18           HE1      PHE  18  22.764  -7.652  -2.074
  160    HZ   PHE  18           HZ       PHE  18  21.352  -7.715  -0.037
  161    H    LEU  19           HN       LEU  19  28.984  -6.282  -0.931
  162    HA   LEU  19           HA       LEU  19  28.423  -8.669  -2.429
  163    HB2  LEU  19           HB2      LEU  19  30.484  -6.490  -2.575
  164    HB3  LEU  19           HB1      LEU  19  30.703  -7.958  -3.522
  165    HG   LEU  19           HG       LEU  19  29.500  -6.101  -4.743
  166   HD11  LEU  19          HD11      LEU  19  28.943  -8.853  -4.703
  167   HD12  LEU  19          HD12      LEU  19  28.499  -7.708  -5.967
  168   HD13  LEU  19          HD13      LEU  19  27.364  -8.071  -4.669
  169   HD21  LEU  19          HD21      LEU  19  28.252  -5.447  -2.580
  170   HD22  LEU  19          HD22      LEU  19  27.157  -6.774  -2.967
  171   HD23  LEU  19          HD23      LEU  19  27.331  -5.421  -4.084
  172    H    ALA  20           HN       ALA  20  31.201  -7.617  -0.445
  173    HA   ALA  20           HA       ALA  20  32.822  -9.812  -0.620
  174    HB1  ALA  20           HB1      ALA  20  32.682  -9.066   2.149
  175    HB2  ALA  20           HB2      ALA  20  32.551  -7.618   1.152
  176    HB3  ALA  20           HB3      ALA  20  33.937  -8.693   0.967
  177    H    PHE  21           HN       PHE  21  30.160  -9.428   1.743
  178    HA   PHE  21           HA       PHE  21  30.378 -12.186   2.581
  179    HB2  PHE  21           HB2      PHE  21  28.416  -9.980   3.234
  180    HB3  PHE  21           HB1      PHE  21  28.309 -11.605   3.910
  181    HD1  PHE  21           HD1      PHE  21  30.751  -8.799   3.452
  182    HD2  PHE  21           HD2      PHE  21  29.484 -12.115   5.871
  183    HE1  PHE  21           HE1      PHE  21  32.444  -8.198   5.162
  184    HE2  PHE  21           HE2      PHE  21  31.176 -11.514   7.581
  185    HZ   PHE  21           HZ       PHE  21  32.657  -9.557   7.226
  186    H    GLY  22           HN       GLY  22  28.212 -10.226   0.596
  187    HA2  GLY  22           HA2      GLY  22  26.140 -12.009   0.140
  188    HA3  GLY  22           HA1      GLY  22  26.703 -10.823  -1.032
  189    H    PHE  23           HN       PHE  23  29.250 -11.745  -1.541
  190    HA   PHE  23           HA       PHE  23  28.886 -13.611  -3.547
  191    HB2  PHE  23           HB2      PHE  23  31.084 -12.222  -2.394
  192    HB3  PHE  23           HB1      PHE  23  31.531 -13.922  -2.517
  193    HD1  PHE  23           HD2      PHE  23  30.506 -15.037  -4.814
  194    HD2  PHE  23           HD1      PHE  23  31.657 -10.936  -4.255
  195    HE1  PHE  23           HE2      PHE  23  30.814 -14.789  -7.262
  196    HE2  PHE  23           HE1      PHE  23  31.966 -10.689  -6.700
  197    HZ   PHE  23           HZ       PHE  23  31.544 -12.618  -8.205
  198    H    TRP  24           HN       TRP  24  29.073 -14.090  -0.163
  199    HA   TRP  24           HA       TRP  24  29.535 -16.980  -0.490
  200    HB2  TRP  24           HB2      TRP  24  31.065 -16.083   1.093
  201    HB3  TRP  24           HB1      TRP  24  29.797 -15.139   1.884
  202    HD1  TRP  24           HD1      TRP  24  30.317 -18.867   1.012
  203    HE1  TRP  24           HE1      TRP  24  29.553 -20.284   3.032
  204    HE3  TRP  24           HE3      TRP  24  28.831 -15.155   4.163
  205    HZ2  TRP  24           HZ2      TRP  24  28.456 -19.883   5.639
  206    HZ3  TRP  24           HZ3      TRP  24  27.928 -15.690   6.412
  207    HH2  TRP  24           HH2      TRP  24  27.740 -18.049   7.152
  208    H    LEU  25           HN       LEU  25  27.691 -14.917   1.734
  209    HA   LEU  25           HA       LEU  25  25.856 -16.437   2.829
  210    HB2  LEU  25           HB2      LEU  25  25.642 -13.759   1.592
  211    HB3  LEU  25           HB1      LEU  25  24.116 -14.551   1.983
  212    HG   LEU  25           HG       LEU  25  26.377 -14.441   3.971
  213   HD11  LEU  25          HD11      LEU  25  25.883 -12.123   3.278
  214   HD12  LEU  25          HD12      LEU  25  25.321 -12.421   4.923
  215   HD13  LEU  25          HD13      LEU  25  24.168 -12.396   3.588
  216   HD21  LEU  25          HD21      LEU  25  23.573 -14.270   4.850
  217   HD22  LEU  25          HD22      LEU  25  24.862 -15.335   5.410
  218   HD23  LEU  25          HD23      LEU  25  23.941 -15.750   3.967
  219    H    PHE  26           HN       PHE  26  25.354 -15.308  -0.527
  220    HA   PHE  26           HA       PHE  26  23.101 -17.028  -0.935
  221    HB2  PHE  26           HB2      PHE  26  24.762 -15.868  -3.153
  222    HB3  PHE  26           HB1      PHE  26  23.024 -16.152  -3.108
  223    HD1  PHE  26           HD2      PHE  26  22.013 -14.961  -0.761
  224    HD2  PHE  26           HD1      PHE  26  25.274 -13.608  -3.213
  225    HE1  PHE  26           HE2      PHE  26  21.650 -12.644   0.037
  226    HE2  PHE  26           HE1      PHE  26  24.906 -11.289  -2.413
  227    HZ   PHE  26           HZ       PHE  26  23.101 -10.808  -0.783
  228    H    LYS  27           HN       LYS  27  26.221 -16.987  -2.621
  229    HA   LYS  27           HA       LYS  27  26.098 -19.350  -3.952
  230    HB2  LYS  27           HB2      LYS  27  28.403 -17.925  -2.669
  231    HB3  LYS  27           HB1      LYS  27  28.659 -19.452  -3.504
  232    HG2  LYS  27           HG2      LYS  27  29.010 -17.477  -4.995
  233    HG3  LYS  27           HG1      LYS  27  27.724 -18.538  -5.564
  234    HD2  LYS  27           HD2      LYS  27  26.027 -17.049  -4.725
  235    HD3  LYS  27           HD1      LYS  27  27.233 -16.062  -3.891
  236    HE2  LYS  27           HE2      LYS  27  26.520 -15.015  -6.015
  237    HE3  LYS  27           HE1      LYS  27  28.232 -15.441  -6.047
  238    HZ1  LYS  27           HZ1      LYS  27  27.875 -16.774  -7.758
  239    HZ2  LYS  27           HZ2      LYS  27  26.261 -16.247  -7.817
  240    HZ3  LYS  27           HZ3      LYS  27  26.674 -17.627  -6.917
  241    H    TYR  28           HN       TYR  28  26.111 -19.002  -0.560
  242    HA   TYR  28           HA       TYR  28  26.818 -21.859  -0.205
  243    HB2  TYR  28           HB2      TYR  28  28.263 -21.053   1.312
  244    HB3  TYR  28           HB1      TYR  28  27.525 -19.452   1.287
  245    HD1  TYR  28           HD1      TYR  28  26.904 -22.931   2.509
  246    HD2  TYR  28           HD2      TYR  28  26.250 -18.731   3.117
  247    HE1  TYR  28           HE1      TYR  28  25.792 -23.418   4.675
  248    HE2  TYR  28           HE2      TYR  28  25.139 -19.216   5.282
  249    HH   TYR  28           HH       TYR  28  24.673 -20.790   6.796
  250    H    LEU  29           HN       LEU  29  24.685 -19.294   1.060
  251    HA   LEU  29           HA       LEU  29  22.968 -21.259   2.306
  252    HB2  LEU  29           HB2      LEU  29  23.516 -18.844   3.134
  253    HB3  LEU  29           HB1      LEU  29  22.259 -18.356   2.000
  254    HG   LEU  29           HG       LEU  29  21.077 -20.477   3.312
  255   HD11  LEU  29          HD11      LEU  29  22.923 -20.552   4.946
  256   HD12  LEU  29          HD12      LEU  29  21.422 -20.034   5.714
  257   HD13  LEU  29          HD13      LEU  29  22.665 -18.848   5.317
  258   HD21  LEU  29          HD21      LEU  29  19.765 -18.705   4.455
  259   HD22  LEU  29          HD22      LEU  29  20.024 -18.332   2.751
  260   HD23  LEU  29          HD23      LEU  29  20.986 -17.521   3.986
  261    H    GLN  30           HN       GLN  30  22.949 -19.221  -0.548
  262    HA   GLN  30           HA       GLN  30  20.213 -19.946  -1.229
  263    HB2  GLN  30           HB2      GLN  30  21.003 -17.689  -1.712
  264    HB3  GLN  30           HB1      GLN  30  22.300 -18.333  -2.712
  265    HG2  GLN  30           HG2      GLN  30  20.925 -18.755  -4.466
  266    HG3  GLN  30           HG1      GLN  30  19.598 -19.279  -3.428
  267   HE21  GLN  30          HE21      GLN  30  21.156 -16.151  -2.897
  268   HE22  GLN  30          HE22      GLN  30  19.849 -15.211  -3.431
  269    H    LYS  31           HN       LYS  31  22.480 -21.948  -1.044
  270    HA   LYS  31           HA       LYS  31  22.105 -23.126  -3.727
  271    HB2  LYS  31           HB2      LYS  31  24.581 -22.412  -2.412
  272    HB3  LYS  31           HB1      LYS  31  24.512 -24.150  -2.691
  273    HG2  LYS  31           HG2      LYS  31  25.497 -23.148  -4.647
  274    HG3  LYS  31           HG1      LYS  31  23.870 -23.654  -5.091
  275    HD2  LYS  31           HD2      LYS  31  23.659 -21.020  -4.036
  276    HD3  LYS  31           HD1      LYS  31  25.014 -21.018  -5.161
  277    HE2  LYS  31           HE2      LYS  31  23.620 -21.938  -6.929
  278    HE3  LYS  31           HE1      LYS  31  22.265 -22.114  -5.816
  279    HZ1  LYS  31           HZ1      LYS  31  23.501 -19.608  -6.795
  280    HZ2  LYS  31           HZ2      LYS  31  22.453 -19.649  -5.458
  281    HZ3  LYS  31           HZ3      LYS  31  21.899 -20.129  -6.990
  282    H    LYS  32           HN       LYS  32  22.802 -23.728  -0.301
  283    HA   LYS  32           HA       LYS  32  22.790 -26.433  -0.110
  284    HB2  LYS  32           HB2      LYS  32  21.340 -26.040   2.029
  285    HB3  LYS  32           HB1      LYS  32  22.959 -25.344   1.941
  286    HG2  LYS  32           HG2      LYS  32  22.085 -23.190   1.316
  287    HG3  LYS  32           HG1      LYS  32  20.459 -23.842   1.125
  288    HD2  LYS  32           HD2      LYS  32  21.378 -24.502   3.758
  289    HD3  LYS  32           HD1      LYS  32  21.653 -22.783   3.490
  290    HE2  LYS  32           HE2      LYS  32  19.326 -22.476   2.811
  291    HE3  LYS  32           HE1      LYS  32  19.028 -24.207   2.976
  292    HZ1  LYS  32           HZ1      LYS  32  20.006 -22.539   5.218
  293    HZ2  LYS  32           HZ2      LYS  32  19.350 -24.103   5.287
  294    HZ3  LYS  32           HZ3      LYS  32  18.355 -22.778   4.915
  Start of MODEL   33
    1    H1   LYS   1           HT1      LYS   1  24.087  16.457  -3.767
    2    H2   LYS   1           HT2      LYS   1  23.201  17.815  -3.260
    3    H3   LYS   1           HT3      LYS   1  23.053  17.248  -4.854
    4    HA   LYS   1           HA       LYS   1  21.304  16.671  -2.957
    5    HB2  LYS   1           HB2      LYS   1  21.283  16.135  -5.441
    6    HB3  LYS   1           HB1      LYS   1  22.163  14.657  -5.048
    7    HG2  LYS   1           HG2      LYS   1  20.304  14.119  -3.402
    8    HG3  LYS   1           HG1      LYS   1  19.401  15.459  -4.108
    9    HD2  LYS   1           HD2      LYS   1  19.755  14.347  -6.371
   10    HD3  LYS   1           HD1      LYS   1  20.343  12.938  -5.489
   11    HE2  LYS   1           HE2      LYS   1  18.177  12.947  -4.195
   12    HE3  LYS   1           HE1      LYS   1  17.596  14.198  -5.295
   13    HZ1  LYS   1           HZ1      LYS   1  18.574  11.525  -6.139
   14    HZ2  LYS   1           HZ2      LYS   1  17.898  12.718  -7.143
   15    HZ3  LYS   1           HZ3      LYS   1  16.940  11.945  -5.974
   16    H    LYS   2           HN       LYS   2  23.580  14.107  -3.941
   17    HA   LYS   2           HA       LYS   2  24.340  12.262  -2.786
   18    HB2  LYS   2           HB2      LYS   2  24.985  14.676  -1.250
   19    HB3  LYS   2           HB1      LYS   2  24.972  13.207  -0.276
   20    HG2  LYS   2           HG2      LYS   2  26.408  13.345  -2.933
   21    HG3  LYS   2           HG1      LYS   2  27.192  13.810  -1.423
   22    HD2  LYS   2           HD2      LYS   2  25.783  11.237  -1.254
   23    HD3  LYS   2           HD1      LYS   2  27.099  11.241  -2.427
   24    HE2  LYS   2           HE2      LYS   2  27.405  12.265   0.406
   25    HE3  LYS   2           HE1      LYS   2  27.782  10.609  -0.070
   26    HZ1  LYS   2           HZ1      LYS   2  29.047  12.117  -1.940
   27    HZ2  LYS   2           HZ2      LYS   2  29.780  11.401  -0.585
   28    HZ3  LYS   2           HZ3      LYS   2  29.267  13.019  -0.521
   29    H    HIS   3           HN       HIS   3  24.217  11.269  -0.352
   30    HA   HIS   3           HA       HIS   3  21.339  11.222   0.347
   31    HB2  HIS   3           HB2      HIS   3  22.279   9.153  -0.798
   32    HB3  HIS   3           HB1      HIS   3  23.259   8.911   0.648
   33    HD2  HIS   3           HD2      HIS   3  21.660   6.608   1.328
   34    HE1  HIS   3           HE1      HIS   3  18.193   8.838   2.236
   35    HE2  HIS   3           HE2      HIS   3  19.273   6.546   2.388
   36    H    THR   4           HN       THR   4  21.279   9.891   2.629
   37    HA   THR   4           HA       THR   4  22.076  11.697   4.587
   38    HB   THR   4           HB       THR   4  20.379  10.133   5.149
   39    HG1  THR   4           HG1      THR   4  22.052  10.623   6.769
   40   HG21  THR   4          HG21      THR   4  22.178   8.271   3.820
   41   HG22  THR   4          HG22      THR   4  20.447   8.129   4.125
   42   HG23  THR   4          HG23      THR   4  21.601   7.627   5.359
   43    H    ILE   5           HN       ILE   5  23.239   8.671   5.544
   44    HA   ILE   5           HA       ILE   5  26.032   9.625   5.358
   45    HB   ILE   5           HB       ILE   5  26.317   7.988   7.343
   46   HG12  ILE   5          HG12      ILE   5  23.529   8.600   8.096
   47   HG13  ILE   5          HG11      ILE   5  23.689   7.416   6.799
   48   HG21  ILE   5          HG21      ILE   5  25.480   9.787   8.924
   49   HG22  ILE   5          HG22      ILE   5  24.821  10.616   7.515
   50   HG23  ILE   5          HG23      ILE   5  26.561  10.361   7.655
   51   HD11  ILE   5          HD11      ILE   5  25.211   7.261   9.409
   52   HD12  ILE   5          HD12      ILE   5  25.134   6.031   8.148
   53   HD13  ILE   5          HD13      ILE   5  23.700   6.406   9.103
   54    H    TRP   6           HN       TRP   6  23.795   7.046   4.726
   55    HA   TRP   6           HA       TRP   6  25.291   4.797   4.434
   56    HB2  TRP   6           HB2      TRP   6  22.911   5.870   3.189
   57    HB3  TRP   6           HB1      TRP   6  23.851   4.938   2.026
   58    HD1  TRP   6           HD1      TRP   6  22.622   2.696   1.957
   59    HE1  TRP   6           HE1      TRP   6  21.989   0.905   3.690
   60    HE3  TRP   6           HE3      TRP   6  23.865   5.158   6.244
   61    HZ2  TRP   6           HZ2      TRP   6  22.008   0.563   6.525
   62    HZ3  TRP   6           HZ3      TRP   6  23.548   4.079   8.452
   63    HH2  TRP   6           HH2      TRP   6  22.621   1.783   8.599
   64    H    GLU   7           HN       GLU   7  24.801   6.954   1.639
   65    HA   GLU   7           HA       GLU   7  26.753   5.987  -0.014
   66    HB2  GLU   7           HB2      GLU   7  25.626   8.723   0.408
   67    HB3  GLU   7           HB1      GLU   7  26.963   8.504  -0.721
   68    HG2  GLU   7           HG2      GLU   7  24.656   6.615  -0.900
   69    HG3  GLU   7           HG1      GLU   7  24.429   8.253  -1.511
   70    H    VAL   8           HN       VAL   8  27.253   7.503   3.012
   71    HA   VAL   8           HA       VAL   8  30.024   8.207   2.356
   72    HB   VAL   8           HB       VAL   8  28.745   8.630   5.044
   73   HG11  VAL   8          HG11      VAL   8  30.642  10.484   3.667
   74   HG12  VAL   8          HG12      VAL   8  31.276   8.969   4.308
   75   HG13  VAL   8          HG13      VAL   8  30.480  10.118   5.384
   76   HG21  VAL   8          HG21      VAL   8  28.566  10.432   2.605
   77   HG22  VAL   8          HG22      VAL   8  28.035  10.859   4.231
   78   HG23  VAL   8          HG23      VAL   8  27.213   9.577   3.343
   79    H    ILE   9           HN       ILE   9  28.152   6.040   4.440
   80    HA   ILE   9           HA       ILE   9  30.658   4.665   5.163
   81    HB   ILE   9           HB       ILE   9  29.797   5.309   7.196
   82   HG12  ILE   9          HG12      ILE   9  29.676   2.635   6.748
   83   HG13  ILE   9          HG11      ILE   9  29.320   3.378   8.295
   84   HG21  ILE   9          HG21      ILE   9  27.306   5.279   7.683
   85   HG22  ILE   9          HG22      ILE   9  27.072   4.991   5.956
   86   HG23  ILE   9          HG23      ILE   9  27.867   6.463   6.511
   87   HD11  ILE   9          HD11      ILE   9  26.975   3.260   7.959
   88   HD12  ILE   9          HD12      ILE   9  27.590   1.702   7.413
   89   HD13  ILE   9          HD13      ILE   9  27.151   2.934   6.238
   90    H    ALA  10           HN       ALA  10  27.268   4.170   4.242
   91    HA   ALA  10           HA       ALA  10  27.524   1.346   3.892
   92    HB1  ALA  10           HB1      ALA  10  25.525   3.256   2.658
   93    HB2  ALA  10           HB2      ALA  10  25.347   2.467   4.225
   94    HB3  ALA  10           HB3      ALA  10  25.368   1.503   2.750
   95    H    GLY  11           HN       GLY  11  26.959   3.835   1.383
   96    HA2  GLY  11           HA2      GLY  11  27.663   2.309  -0.818
   97    HA3  GLY  11           HA1      GLY  11  27.861   4.059  -0.733
   98    H    LEU  12           HN       LEU  12  29.574   3.355   1.765
   99    HA   LEU  12           HA       LEU  12  32.074   3.073   0.260
  100    HB2  LEU  12           HB2      LEU  12  31.652   5.053   1.822
  101    HB3  LEU  12           HB1      LEU  12  31.801   3.898   3.147
  102    HG   LEU  12           HG       LEU  12  34.007   3.231   1.759
  103   HD11  LEU  12          HD11      LEU  12  33.437   5.051   0.074
  104   HD12  LEU  12          HD12      LEU  12  35.057   5.145   0.765
  105   HD13  LEU  12          HD13      LEU  12  33.787   6.222   1.346
  106   HD21  LEU  12          HD21      LEU  12  33.708   5.533   3.714
  107   HD22  LEU  12          HD22      LEU  12  35.244   4.770   3.303
  108   HD23  LEU  12          HD23      LEU  12  33.988   3.839   4.119
  109    H    VAL  13           HN       VAL  13  30.071   1.554   2.669
  110    HA   VAL  13           HA       VAL  13  32.124  -0.545   3.057
  111    HB   VAL  13           HB       VAL  13  29.842   0.258   4.876
  112   HG11  VAL  13          HG11      VAL  13  31.880  -1.972   4.994
  113   HG12  VAL  13          HG12      VAL  13  30.125  -2.104   5.084
  114   HG13  VAL  13          HG13      VAL  13  31.027  -1.395   6.423
  115   HG21  VAL  13          HG21      VAL  13  32.039   1.667   4.671
  116   HG22  VAL  13          HG22      VAL  13  32.786   0.310   5.514
  117   HG23  VAL  13          HG23      VAL  13  31.475   1.208   6.278
  118    H    ALA  14           HN       ALA  14  28.576  -0.118   2.980
  119    HA   ALA  14           HA       ALA  14  27.751  -2.706   2.722
  120    HB1  ALA  14           HB1      ALA  14  26.723  -0.349   1.121
  121    HB2  ALA  14           HB2      ALA  14  26.197  -0.801   2.743
  122    HB3  ALA  14           HB3      ALA  14  25.862  -1.866   1.377
  123    H    LEU  15           HN       LEU  15  28.894  -0.618   0.069
  124    HA   LEU  15           HA       LEU  15  28.669  -2.582  -1.951
  125    HB2  LEU  15           HB2      LEU  15  28.930  -0.150  -2.403
  126    HB3  LEU  15           HB1      LEU  15  30.588  -0.238  -1.810
  127    HG   LEU  15           HG       LEU  15  31.120  -1.900  -3.575
  128   HD11  LEU  15          HD11      LEU  15  28.189  -1.598  -4.080
  129   HD12  LEU  15          HD12      LEU  15  29.203  -3.035  -4.191
  130   HD13  LEU  15          HD13      LEU  15  29.243  -1.828  -5.476
  131   HD21  LEU  15          HD21      LEU  15  30.762  -0.287  -5.542
  132   HD22  LEU  15          HD22      LEU  15  31.635   0.351  -4.148
  133   HD23  LEU  15          HD23      LEU  15  29.935   0.759  -4.386
  134    H    LEU  16           HN       LEU  16  31.104  -1.861   0.441
  135    HA   LEU  16           HA       LEU  16  32.971  -3.798  -0.711
  136    HB2  LEU  16           HB2      LEU  16  33.363  -2.191   1.808
  137    HB3  LEU  16           HB1      LEU  16  34.594  -2.923   0.778
  138    HG   LEU  16           HG       LEU  16  32.782  -0.601   0.064
  139   HD11  LEU  16          HD11      LEU  16  35.799  -0.680   0.083
  140   HD12  LEU  16          HD12      LEU  16  34.886  -0.297   1.542
  141   HD13  LEU  16          HD13      LEU  16  34.738   0.729   0.114
  142   HD21  LEU  16          HD21      LEU  16  32.996  -1.804  -1.952
  143   HD22  LEU  16          HD22      LEU  16  34.641  -2.318  -1.577
  144   HD23  LEU  16          HD23      LEU  16  34.322  -0.643  -2.032
  145    H    THR  17           HN       THR  17  30.299  -4.022   1.091
  146    HA   THR  17           HA       THR  17  31.358  -6.270   2.693
  147    HB   THR  17           HB       THR  17  29.466  -4.084   3.452
  148    HG1  THR  17           HG1      THR  17  31.860  -4.956   4.145
  149   HG21  THR  17          HG21      THR  17  28.840  -5.652   5.412
  150   HG22  THR  17          HG22      THR  17  29.353  -6.960   4.350
  151   HG23  THR  17          HG23      THR  17  28.023  -5.905   3.871
  152    H    PHE  18           HN       PHE  18  28.258  -4.943   1.525
  153    HA   PHE  18           HA       PHE  18  26.661  -7.125   1.518
  154    HB2  PHE  18           HB2      PHE  18  26.312  -4.721   0.511
  155    HB3  PHE  18           HB1      PHE  18  26.745  -5.511  -1.005
  156    HD1  PHE  18           HD2      PHE  18  24.490  -5.884   1.962
  157    HD2  PHE  18           HD1      PHE  18  25.121  -6.708  -2.206
  158    HE1  PHE  18           HE2      PHE  18  22.200  -6.819   1.801
  159    HE2  PHE  18           HE1      PHE  18  22.830  -7.643  -2.368
  160    HZ   PHE  18           HZ       PHE  18  21.369  -7.699  -0.363
  161    H    LEU  19           HN       LEU  19  28.989  -6.344  -1.068
  162    HA   LEU  19           HA       LEU  19  28.512  -8.758  -2.527
  163    HB2  LEU  19           HB2      LEU  19  30.607  -6.602  -2.614
  164    HB3  LEU  19           HB1      LEU  19  30.808  -8.070  -3.567
  165    HG   LEU  19           HG       LEU  19  29.673  -6.179  -4.799
  166   HD11  LEU  19          HD11      LEU  19  28.643  -7.748  -6.050
  167   HD12  LEU  19          HD12      LEU  19  27.493  -8.108  -4.763
  168   HD13  LEU  19          HD13      LEU  19  29.060  -8.915  -4.795
  169   HD21  LEU  19          HD21      LEU  19  27.313  -6.805  -3.019
  170   HD22  LEU  19          HD22      LEU  19  27.473  -5.495  -4.189
  171   HD23  LEU  19          HD23      LEU  19  28.408  -5.461  -2.694
  172    H    ALA  20           HN       ALA  20  31.178  -7.689  -0.407
  173    HA   ALA  20           HA       ALA  20  32.811  -9.891  -0.505
  174    HB1  ALA  20           HB1      ALA  20  33.874  -8.774   1.119
  175    HB2  ALA  20           HB2      ALA  20  32.551  -9.076   2.244
  176    HB3  ALA  20           HB3      ALA  20  32.511  -7.660   1.194
  177    H    PHE  21           HN       PHE  21  30.085  -9.447   1.764
  178    HA   PHE  21           HA       PHE  21  30.248 -12.198   2.639
  179    HB2  PHE  21           HB2      PHE  21  28.318  -9.954   3.246
  180    HB3  PHE  21           HB1      PHE  21  28.175 -11.571   3.935
  181    HD1  PHE  21           HD1      PHE  21  30.612  -8.759   3.525
  182    HD2  PHE  21           HD2      PHE  21  29.376 -12.140   5.870
  183    HE1  PHE  21           HE1      PHE  21  32.292  -8.175   5.254
  184    HE2  PHE  21           HE2      PHE  21  31.056 -11.555   7.598
  185    HZ   PHE  21           HZ       PHE  21  32.514  -9.573   7.288
  186    H    GLY  22           HN       GLY  22  28.232 -10.267   0.487
  187    HA2  GLY  22           HA2      GLY  22  26.116 -12.058   0.089
  188    HA3  GLY  22           HA1      GLY  22  26.672 -10.879  -1.095
  189    H    PHE  23           HN       PHE  23  29.202 -11.760  -1.663
  190    HA   PHE  23           HA       PHE  23  28.818 -13.704  -3.594
  191    HB2  PHE  23           HB2      PHE  23  31.094 -12.348  -2.408
  192    HB3  PHE  23           HB1      PHE  23  31.480 -14.021  -2.806
  193    HD1  PHE  23           HD1      PHE  23  30.413 -14.820  -5.154
  194    HD2  PHE  23           HD2      PHE  23  31.398 -10.772  -4.106
  195    HE1  PHE  23           HE1      PHE  23  30.541 -14.228  -7.559
  196    HE2  PHE  23           HE2      PHE  23  31.527 -10.181  -6.510
  197    HZ   PHE  23           HZ       PHE  23  31.098 -11.909  -8.237
  198    H    TRP  24           HN       TRP  24  29.069 -14.036  -0.212
  199    HA   TRP  24           HA       TRP  24  29.574 -16.926  -0.414
  200    HB2  TRP  24           HB2      TRP  24  31.055 -15.890   1.153
  201    HB3  TRP  24           HB1      TRP  24  29.728 -15.004   1.909
  202    HD1  TRP  24           HD1      TRP  24  30.422 -18.725   1.113
  203    HE1  TRP  24           HE1      TRP  24  29.743 -20.127   3.172
  204    HE3  TRP  24           HE3      TRP  24  28.803 -15.012   4.196
  205    HZ2  TRP  24           HZ2      TRP  24  28.654 -19.717   5.781
  206    HZ3  TRP  24           HZ3      TRP  24  27.947 -15.536   6.466
  207    HH2  TRP  24           HH2      TRP  24  27.870 -17.884   7.260
  208    H    LEU  25           HN       LEU  25  27.762 -15.013   1.937
  209    HA   LEU  25           HA       LEU  25  25.894 -16.510   2.925
  210    HB2  LEU  25           HB2      LEU  25  25.671 -13.801   1.767
  211    HB3  LEU  25           HB1      LEU  25  24.146 -14.617   2.117
  212    HG   LEU  25           HG       LEU  25  26.361 -14.621   4.147
  213   HD11  LEU  25          HD11      LEU  25  24.257 -12.459   3.813
  214   HD12  LEU  25          HD12      LEU  25  25.979 -12.254   3.495
  215   HD13  LEU  25          HD13      LEU  25  25.417 -12.577   5.136
  216   HD21  LEU  25          HD21      LEU  25  24.736 -15.375   5.575
  217   HD22  LEU  25          HD22      LEU  25  23.956 -15.880   4.077
  218   HD23  LEU  25          HD23      LEU  25  23.486 -14.365   4.848
  219    H    PHE  26           HN       PHE  26  25.275 -15.242  -0.361
  220    HA   PHE  26           HA       PHE  26  23.101 -17.059  -0.749
  221    HB2  PHE  26           HB2      PHE  26  24.566 -15.631  -2.954
  222    HB3  PHE  26           HB1      PHE  26  22.862 -16.079  -2.878
  223    HD1  PHE  26           HD2      PHE  26  21.737 -15.177  -0.527
  224    HD2  PHE  26           HD1      PHE  26  24.956 -13.343  -2.702
  225    HE1  PHE  26           HE2      PHE  26  21.193 -12.995   0.508
  226    HE2  PHE  26           HE1      PHE  26  24.413 -11.160  -1.662
  227    HZ   PHE  26           HZ       PHE  26  22.536 -10.987  -0.055
  228    H    LYS  27           HN       LYS  27  26.133 -16.780  -2.607
  229    HA   LYS  27           HA       LYS  27  26.005 -19.152  -3.965
  230    HB2  LYS  27           HB2      LYS  27  28.595 -18.145  -2.789
  231    HB3  LYS  27           HB1      LYS  27  28.347 -18.993  -4.316
  232    HG2  LYS  27           HG2      LYS  27  27.471 -16.174  -3.628
  233    HG3  LYS  27           HG1      LYS  27  28.665 -16.656  -4.832
  234    HD2  LYS  27           HD2      LYS  27  26.710 -18.014  -5.887
  235    HD3  LYS  27           HD1      LYS  27  25.672 -16.972  -4.913
  236    HE2  LYS  27           HE2      LYS  27  27.331 -15.112  -5.989
  237    HE3  LYS  27           HE1      LYS  27  27.323 -16.307  -7.286
  238    HZ1  LYS  27           HZ1      LYS  27  25.513 -14.951  -7.748
  239    HZ2  LYS  27           HZ2      LYS  27  25.042 -14.839  -6.119
  240    HZ3  LYS  27           HZ3      LYS  27  24.807 -16.287  -6.976
  241    H    TYR  28           HN       TYR  28  26.183 -18.827  -0.601
  242    HA   TYR  28           HA       TYR  28  27.145 -21.615  -0.295
  243    HB2  TYR  28           HB2      TYR  28  28.604 -20.645   1.122
  244    HB3  TYR  28           HB1      TYR  28  27.656 -19.167   1.243
  245    HD1  TYR  28           HD1      TYR  28  27.927 -22.659   2.450
  246    HD2  TYR  28           HD2      TYR  28  26.102 -18.817   3.016
  247    HE1  TYR  28           HE1      TYR  28  27.050 -23.400   4.654
  248    HE2  TYR  28           HE2      TYR  28  25.227 -19.550   5.217
  249    HH   TYR  28           HH       TYR  28  24.642 -21.803   6.300
  250    H    LEU  29           HN       LEU  29  24.668 -19.268   0.661
  251    HA   LEU  29           HA       LEU  29  23.186 -21.434   2.007
  252    HB2  LEU  29           HB2      LEU  29  23.700 -19.115   3.079
  253    HB3  LEU  29           HB1      LEU  29  22.374 -18.546   2.063
  254    HG   LEU  29           HG       LEU  29  21.245 -20.780   3.104
  255   HD11  LEU  29          HD11      LEU  29  22.890 -19.635   5.369
  256   HD12  LEU  29          HD12      LEU  29  23.351 -21.097   4.499
  257   HD13  LEU  29          HD13      LEU  29  21.842 -21.052   5.409
  258   HD21  LEU  29          HD21      LEU  29  21.359 -18.031   4.384
  259   HD22  LEU  29          HD22      LEU  29  20.117 -19.244   4.697
  260   HD23  LEU  29          HD23      LEU  29  20.265 -18.526   3.093
  261    H    GLN  30           HN       GLN  30  22.921 -19.072  -0.598
  262    HA   GLN  30           HA       GLN  30  20.166 -19.554  -1.167
  263    HB2  GLN  30           HB2      GLN  30  21.168 -17.501  -1.893
  264    HB3  GLN  30           HB1      GLN  30  22.396 -18.366  -2.814
  265    HG2  GLN  30           HG2      GLN  30  20.818 -19.123  -4.410
  266    HG3  GLN  30           HG1      GLN  30  19.452 -18.690  -3.382
  267   HE21  GLN  30          HE21      GLN  30  20.389 -16.041  -2.608
  268   HE22  GLN  30          HE22      GLN  30  20.351 -15.066  -3.997
  269    H    LYS  31           HN       LYS  31  23.103 -21.200  -2.015
  270    HA   LYS  31           HA       LYS  31  21.773 -22.689  -4.164
  271    HB2  LYS  31           HB2      LYS  31  24.586 -22.247  -3.311
  272    HB3  LYS  31           HB1      LYS  31  24.212 -23.798  -4.062
  273    HG2  LYS  31           HG2      LYS  31  24.895 -22.091  -5.736
  274    HG3  LYS  31           HG1      LYS  31  23.247 -22.660  -6.002
  275    HD2  LYS  31           HD2      LYS  31  22.305 -20.661  -5.372
  276    HD3  LYS  31           HD1      LYS  31  23.590 -20.298  -4.217
  277    HE2  LYS  31           HE2      LYS  31  25.123 -19.773  -6.066
  278    HE3  LYS  31           HE1      LYS  31  23.866 -20.172  -7.236
  279    HZ1  LYS  31           HZ1      LYS  31  23.334 -18.027  -7.099
  280    HZ2  LYS  31           HZ2      LYS  31  24.222 -17.789  -5.672
  281    HZ3  LYS  31           HZ3      LYS  31  22.640 -18.404  -5.600
  282    H    LYS  32           HN       LYS  32  21.581 -22.875  -0.999
  283    HA   LYS  32           HA       LYS  32  21.305 -25.789  -1.018
  284    HB2  LYS  32           HB2      LYS  32  22.630 -24.640   1.389
  285    HB3  LYS  32           HB1      LYS  32  22.800 -26.240   0.665
  286    HG2  LYS  32           HG2      LYS  32  24.082 -25.237  -1.210
  287    HG3  LYS  32           HG1      LYS  32  23.952 -23.656  -0.435
  288    HD2  LYS  32           HD2      LYS  32  25.098 -24.621   1.577
  289    HD3  LYS  32           HD1      LYS  32  25.348 -26.110   0.665
  290    HE2  LYS  32           HE2      LYS  32  26.192 -23.888  -0.953
  291    HE3  LYS  32           HE1      LYS  32  26.954 -23.762   0.631
  292    HZ1  LYS  32           HZ1      LYS  32  26.989 -26.447  -0.218
  293    HZ2  LYS  32           HZ2      LYS  32  28.300 -25.419   0.114
  294    HZ3  LYS  32           HZ3      LYS  32  27.634 -25.472  -1.447
  Start of MODEL   34
    1    H1   LYS   1           HT1      LYS   1  24.088  18.829  -1.016
    2    H2   LYS   1           HT2      LYS   1  23.686  18.287  -2.576
    3    H3   LYS   1           HT3      LYS   1  24.914  17.512  -1.693
    4    HA   LYS   1           HA       LYS   1  23.360  16.671  -0.109
    5    HB2  LYS   1           HB2      LYS   1  20.857  17.118  -0.784
    6    HB3  LYS   1           HB1      LYS   1  21.736  18.327   0.154
    7    HG2  LYS   1           HG2      LYS   1  21.940  19.775  -1.638
    8    HG3  LYS   1           HG1      LYS   1  21.894  18.473  -2.830
    9    HD2  LYS   1           HD2      LYS   1  19.505  18.161  -2.460
   10    HD3  LYS   1           HD1      LYS   1  19.518  19.363  -1.169
   11    HE2  LYS   1           HE2      LYS   1  20.511  20.120  -3.901
   12    HE3  LYS   1           HE1      LYS   1  18.775  20.073  -3.591
   13    HZ1  LYS   1           HZ1      LYS   1  20.799  21.657  -2.105
   14    HZ2  LYS   1           HZ2      LYS   1  19.161  21.537  -1.668
   15    HZ3  LYS   1           HZ3      LYS   1  19.601  22.261  -3.140
   16    H    LYS   2           HN       LYS   2  23.081  14.572  -0.560
   17    HA   LYS   2           HA       LYS   2  22.105  13.792  -3.225
   18    HB2  LYS   2           HB2      LYS   2  23.863  11.874  -3.030
   19    HB3  LYS   2           HB1      LYS   2  24.386  13.462  -3.593
   20    HG2  LYS   2           HG2      LYS   2  25.584  13.894  -1.694
   21    HG3  LYS   2           HG1      LYS   2  24.427  13.062  -0.655
   22    HD2  LYS   2           HD2      LYS   2  25.303  10.913  -1.242
   23    HD3  LYS   2           HD1      LYS   2  26.258  11.589  -2.561
   24    HE2  LYS   2           HE2      LYS   2  27.222  11.099  -0.035
   25    HE3  LYS   2           HE1      LYS   2  27.931  12.246  -1.173
   26    HZ1  LYS   2           HZ1      LYS   2  27.441  13.182   1.059
   27    HZ2  LYS   2           HZ2      LYS   2  25.787  12.946   0.755
   28    HZ3  LYS   2           HZ3      LYS   2  26.689  14.012  -0.215
   29    H    HIS   3           HN       HIS   3  22.797  12.888   0.118
   30    HA   HIS   3           HA       HIS   3  20.342  11.427   0.339
   31    HB2  HIS   3           HB2      HIS   3  21.853   9.805  -0.884
   32    HB3  HIS   3           HB1      HIS   3  22.870   9.785   0.557
   33    HD2  HIS   3           HD2      HIS   3  21.929   6.987   0.789
   34    HE1  HIS   3           HE1      HIS   3  18.158   8.150   2.292
   35    HE2  HIS   3           HE2      HIS   3  19.738   6.188   1.967
   36    H    THR   4           HN       THR   4  22.162   9.709   2.312
   37    HA   THR   4           HA       THR   4  22.114  11.723   4.482
   38    HB   THR   4           HB       THR   4  20.411  10.097   4.930
   39    HG1  THR   4           HG1      THR   4  21.135  10.012   6.878
   40   HG21  THR   4          HG21      THR   4  21.817   7.650   5.151
   41   HG22  THR   4          HG22      THR   4  22.245   8.333   3.582
   42   HG23  THR   4          HG23      THR   4  20.553   8.061   3.997
   43    H    ILE   5           HN       ILE   5  23.277   8.757   5.474
   44    HA   ILE   5           HA       ILE   5  26.075   9.668   5.199
   45    HB   ILE   5           HB       ILE   5  26.388   8.111   7.235
   46   HG12  ILE   5          HG12      ILE   5  23.621   8.718   8.034
   47   HG13  ILE   5          HG11      ILE   5  23.742   7.524   6.742
   48   HG21  ILE   5          HG21      ILE   5  24.966  10.770   7.241
   49   HG22  ILE   5          HG22      ILE   5  26.662  10.429   7.586
   50   HG23  ILE   5          HG23      ILE   5  25.418   9.975   8.750
   51   HD11  ILE   5          HD11      ILE   5  25.107   6.089   8.050
   52   HD12  ILE   5          HD12      ILE   5  23.828   6.621   9.140
   53   HD13  ILE   5          HD13      ILE   5  25.430   7.351   9.236
   54    H    TRP   6           HN       TRP   6  23.803   7.134   4.602
   55    HA   TRP   6           HA       TRP   6  25.278   4.845   4.407
   56    HB2  TRP   6           HB2      TRP   6  22.884   5.878   3.171
   57    HB3  TRP   6           HB1      TRP   6  23.806   4.925   2.009
   58    HD1  TRP   6           HD1      TRP   6  22.613   2.665   2.011
   59    HE1  TRP   6           HE1      TRP   6  22.012   0.914   3.800
   60    HE3  TRP   6           HE3      TRP   6  23.867   5.257   6.218
   61    HZ2  TRP   6           HZ2      TRP   6  22.058   0.652   6.642
   62    HZ3  TRP   6           HZ3      TRP   6  23.579   4.236   8.459
   63    HH2  TRP   6           HH2      TRP   6  22.677   1.936   8.677
   64    H    GLU   7           HN       GLU   7  24.916   7.168   1.715
   65    HA   GLU   7           HA       GLU   7  26.796   6.016   0.010
   66    HB2  GLU   7           HB2      GLU   7  25.350   8.520   0.210
   67    HB3  GLU   7           HB1      GLU   7  26.971   8.763  -0.440
   68    HG2  GLU   7           HG2      GLU   7  25.050   6.653  -1.455
   69    HG3  GLU   7           HG1      GLU   7  25.229   8.247  -2.187
   70    H    VAL   8           HN       VAL   8  27.351   7.392   3.015
   71    HA   VAL   8           HA       VAL   8  30.116   8.156   2.346
   72    HB   VAL   8           HB       VAL   8  28.775   8.624   5.001
   73   HG11  VAL   8          HG11      VAL   8  30.720  10.500   3.783
   74   HG12  VAL   8          HG12      VAL   8  31.360   8.918   4.225
   75   HG13  VAL   8          HG13      VAL   8  30.593   9.931   5.448
   76   HG21  VAL   8          HG21      VAL   8  27.343   9.606   3.237
   77   HG22  VAL   8          HG22      VAL   8  28.749  10.416   2.549
   78   HG23  VAL   8          HG23      VAL   8  28.167  10.867   4.150
   79    H    ILE   9           HN       ILE   9  28.198   6.036   4.431
   80    HA   ILE   9           HA       ILE   9  30.676   4.640   5.207
   81    HB   ILE   9           HB       ILE   9  29.798   5.320   7.220
   82   HG12  ILE   9          HG12      ILE   9  29.624   2.641   6.804
   83   HG13  ILE   9          HG11      ILE   9  29.272   3.412   8.337
   84   HG21  ILE   9          HG21      ILE   9  27.084   5.038   5.948
   85   HG22  ILE   9          HG22      ILE   9  27.901   6.503   6.489
   86   HG23  ILE   9          HG23      ILE   9  27.301   5.350   7.673
   87   HD11  ILE   9          HD11      ILE   9  27.112   2.985   6.267
   88   HD12  ILE   9          HD12      ILE   9  26.927   3.343   7.978
   89   HD13  ILE   9          HD13      ILE   9  27.514   1.764   7.467
   90    H    ALA  10           HN       ALA  10  27.285   4.173   4.266
   91    HA   ALA  10           HA       ALA  10  27.531   1.343   3.934
   92    HB1  ALA  10           HB1      ALA  10  25.523   3.223   2.672
   93    HB2  ALA  10           HB2      ALA  10  25.361   2.512   4.278
   94    HB3  ALA  10           HB3      ALA  10  25.361   1.477   2.852
   95    H    GLY  11           HN       GLY  11  26.970   3.837   1.432
   96    HA2  GLY  11           HA2      GLY  11  27.643   2.300  -0.776
   97    HA3  GLY  11           HA1      GLY  11  27.847   4.051  -0.696
   98    H    LEU  12           HN       LEU  12  29.579   3.321   1.793
   99    HA   LEU  12           HA       LEU  12  32.063   3.022   0.261
  100    HB2  LEU  12           HB2      LEU  12  31.667   5.028   1.799
  101    HB3  LEU  12           HB1      LEU  12  31.835   3.892   3.138
  102    HG   LEU  12           HG       LEU  12  34.014   3.203   1.700
  103   HD11  LEU  12          HD11      LEU  12  33.976   6.196   1.375
  104   HD12  LEU  12          HD12      LEU  12  33.299   5.163   0.116
  105   HD13  LEU  12          HD13      LEU  12  34.997   5.007   0.568
  106   HD21  LEU  12          HD21      LEU  12  33.987   3.823   4.080
  107   HD22  LEU  12          HD22      LEU  12  33.807   5.523   3.648
  108   HD23  LEU  12          HD23      LEU  12  35.295   4.664   3.249
  109    H    VAL  13           HN       VAL  13  30.073   1.544   2.704
  110    HA   VAL  13           HA       VAL  13  32.123  -0.560   3.096
  111    HB   VAL  13           HB       VAL  13  29.865   0.250   4.944
  112   HG11  VAL  13          HG11      VAL  13  30.201  -2.089   5.213
  113   HG12  VAL  13          HG12      VAL  13  31.154  -1.341   6.495
  114   HG13  VAL  13          HG13      VAL  13  31.950  -1.936   5.038
  115   HG21  VAL  13          HG21      VAL  13  32.068   1.680   4.649
  116   HG22  VAL  13          HG22      VAL  13  32.801   0.376   5.580
  117   HG23  VAL  13          HG23      VAL  13  31.474   1.311   6.268
  118    H    ALA  14           HN       ALA  14  28.578  -0.104   3.066
  119    HA   ALA  14           HA       ALA  14  27.727  -2.689   2.859
  120    HB1  ALA  14           HB1      ALA  14  26.710  -0.312   1.283
  121    HB2  ALA  14           HB2      ALA  14  26.161  -0.824   2.878
  122    HB3  ALA  14           HB3      ALA  14  25.846  -1.838   1.469
  123    H    LEU  15           HN       LEU  15  28.880  -0.653   0.171
  124    HA   LEU  15           HA       LEU  15  28.601  -2.643  -1.821
  125    HB2  LEU  15           HB2      LEU  15  28.885  -0.214  -2.304
  126    HB3  LEU  15           HB1      LEU  15  30.552  -0.323  -1.744
  127    HG   LEU  15           HG       LEU  15  31.016  -2.022  -3.497
  128   HD11  LEU  15          HD11      LEU  15  29.102  -1.922  -5.363
  129   HD12  LEU  15          HD12      LEU  15  28.083  -1.662  -3.949
  130   HD13  LEU  15          HD13      LEU  15  29.067  -3.120  -4.070
  131   HD21  LEU  15          HD21      LEU  15  29.947  -0.044  -5.289
  132   HD22  LEU  15          HD22      LEU  15  31.619  -0.271  -4.775
  133   HD23  LEU  15          HD23      LEU  15  30.541   0.759  -3.834
  134    H    LEU  16           HN       LEU  16  31.084  -1.904   0.521
  135    HA   LEU  16           HA       LEU  16  32.921  -3.867  -0.631
  136    HB2  LEU  16           HB2      LEU  16  33.333  -2.261   1.888
  137    HB3  LEU  16           HB1      LEU  16  34.555  -3.010   0.858
  138    HG   LEU  16           HG       LEU  16  32.766  -0.672   0.137
  139   HD11  LEU  16          HD11      LEU  16  35.785  -0.788   0.181
  140   HD12  LEU  16          HD12      LEU  16  34.857  -0.363   1.620
  141   HD13  LEU  16          HD13      LEU  16  34.745   0.636   0.172
  142   HD21  LEU  16          HD21      LEU  16  34.612  -2.411  -1.495
  143   HD22  LEU  16          HD22      LEU  16  34.317  -0.734  -1.953
  144   HD23  LEU  16          HD23      LEU  16  32.975  -1.876  -1.878
  145    H    THR  17           HN       THR  17  30.267  -4.015   1.243
  146    HA   THR  17           HA       THR  17  31.305  -6.288   2.826
  147    HB   THR  17           HB       THR  17  29.432  -4.084   3.569
  148    HG1  THR  17           HG1      THR  17  31.024  -5.465   5.358
  149   HG21  THR  17          HG21      THR  17  28.766  -5.634   5.527
  150   HG22  THR  17          HG22      THR  17  29.274  -6.954   4.476
  151   HG23  THR  17          HG23      THR  17  27.961  -5.886   3.978
  152    H    PHE  18           HN       PHE  18  28.193  -4.959   1.687
  153    HA   PHE  18           HA       PHE  18  26.625  -7.167   1.667
  154    HB2  PHE  18           HB2      PHE  18  26.237  -4.737   0.709
  155    HB3  PHE  18           HB1      PHE  18  26.621  -5.514  -0.827
  156    HD1  PHE  18           HD2      PHE  18  24.460  -5.885   2.205
  157    HD2  PHE  18           HD1      PHE  18  24.978  -6.750  -1.971
  158    HE1  PHE  18           HE2      PHE  18  22.171  -6.838   2.117
  159    HE2  PHE  18           HE1      PHE  18  22.689  -7.703  -2.057
  160    HZ   PHE  18           HZ       PHE  18  21.287  -7.747  -0.013
  161    H    LEU  19           HN       LEU  19  28.855  -6.282  -0.977
  162    HA   LEU  19           HA       LEU  19  28.393  -8.674  -2.467
  163    HB2  LEU  19           HB2      LEU  19  30.462  -6.492  -2.558
  164    HB3  LEU  19           HB1      LEU  19  30.636  -7.929  -3.562
  165    HG   LEU  19           HG       LEU  19  29.444  -6.002  -4.688
  166   HD11  LEU  19          HD11      LEU  19  28.389  -7.540  -5.957
  167   HD12  LEU  19          HD12      LEU  19  27.283  -7.952  -4.649
  168   HD13  LEU  19          HD13      LEU  19  28.853  -8.744  -4.757
  169   HD21  LEU  19          HD21      LEU  19  28.246  -5.375  -2.515
  170   HD22  LEU  19          HD22      LEU  19  27.153  -6.717  -2.850
  171   HD23  LEU  19          HD23      LEU  19  27.260  -5.363  -3.976
  172    H    ALA  20           HN       ALA  20  31.133  -7.607  -0.441
  173    HA   ALA  20           HA       ALA  20  32.792  -9.769  -0.618
  174    HB1  ALA  20           HB1      ALA  20  33.550  -9.257   1.654
  175    HB2  ALA  20           HB2      ALA  20  32.093  -8.304   1.935
  176    HB3  ALA  20           HB3      ALA  20  33.277  -7.771   0.743
  177    H    PHE  21           HN       PHE  21  30.130  -9.460   1.751
  178    HA   PHE  21           HA       PHE  21  30.367 -12.243   2.502
  179    HB2  PHE  21           HB2      PHE  21  28.429 -10.057   3.273
  180    HB3  PHE  21           HB1      PHE  21  28.327 -11.705   3.891
  181    HD1  PHE  21           HD2      PHE  21  30.561  -8.735   3.651
  182    HD2  PHE  21           HD1      PHE  21  29.758 -12.460   5.631
  183    HE1  PHE  21           HE2      PHE  21  32.301  -8.211   5.337
  184    HE2  PHE  21           HE1      PHE  21  31.497 -11.937   7.320
  185    HZ   PHE  21           HZ       PHE  21  32.768  -9.812   7.173
  186    H    GLY  22           HN       GLY  22  28.192 -10.253   0.553
  187    HA2  GLY  22           HA2      GLY  22  26.104 -12.050   0.137
  188    HA3  GLY  22           HA1      GLY  22  26.620 -10.838  -1.030
  189    H    PHE  23           HN       PHE  23  29.144 -11.696  -1.679
  190    HA   PHE  23           HA       PHE  23  28.708 -13.588  -3.655
  191    HB2  PHE  23           HB2      PHE  23  30.998 -12.227  -2.513
  192    HB3  PHE  23           HB1      PHE  23  31.400 -13.885  -2.957
  193    HD1  PHE  23           HD2      PHE  23  30.258 -14.647  -5.291
  194    HD2  PHE  23           HD1      PHE  23  31.253 -10.617  -4.183
  195    HE1  PHE  23           HE2      PHE  23  30.318 -14.003  -7.685
  196    HE2  PHE  23           HE1      PHE  23  31.313  -9.974  -6.576
  197    HZ   PHE  23           HZ       PHE  23  30.845 -11.666  -8.327
  198    H    TRP  24           HN       TRP  24  29.084 -14.025  -0.289
  199    HA   TRP  24           HA       TRP  24  29.630 -16.898  -0.612
  200    HB2  TRP  24           HB2      TRP  24  31.150 -15.878   0.935
  201    HB3  TRP  24           HB1      TRP  24  29.832 -15.060   1.776
  202    HD1  TRP  24           HD1      TRP  24  30.626 -18.716   0.810
  203    HE1  TRP  24           HE1      TRP  24  30.045 -20.227   2.823
  204    HE3  TRP  24           HE3      TRP  24  28.941 -15.197   4.080
  205    HZ2  TRP  24           HZ2      TRP  24  29.002 -19.965   5.469
  206    HZ3  TRP  24           HZ3      TRP  24  28.157 -15.846   6.344
  207    HH2  TRP  24           HH2      TRP  24  28.186 -18.225   7.040
  208    H    LEU  25           HN       LEU  25  27.851 -15.038   1.814
  209    HA   LEU  25           HA       LEU  25  26.063 -16.620   2.851
  210    HB2  LEU  25           HB2      LEU  25  25.756 -13.875   1.794
  211    HB3  LEU  25           HB1      LEU  25  24.261 -14.722   2.193
  212    HG   LEU  25           HG       LEU  25  26.579 -14.737   4.106
  213   HD11  LEU  25          HD11      LEU  25  25.623 -12.756   5.208
  214   HD12  LEU  25          HD12      LEU  25  24.402 -12.631   3.942
  215   HD13  LEU  25          HD13      LEU  25  26.102 -12.368   3.556
  216   HD21  LEU  25          HD21      LEU  25  23.761 -14.582   4.999
  217   HD22  LEU  25          HD22      LEU  25  25.068 -15.618   5.575
  218   HD23  LEU  25          HD23      LEU  25  24.183 -16.047   4.113
  219    H    PHE  26           HN       PHE  26  25.236 -15.211  -0.334
  220    HA   PHE  26           HA       PHE  26  23.067 -17.031  -0.707
  221    HB2  PHE  26           HB2      PHE  26  24.459 -15.541  -2.921
  222    HB3  PHE  26           HB1      PHE  26  22.757 -15.981  -2.795
  223    HD1  PHE  26           HD1      PHE  26  21.755 -15.141  -0.341
  224    HD2  PHE  26           HD2      PHE  26  24.845 -13.254  -2.656
  225    HE1  PHE  26           HE1      PHE  26  21.268 -12.982   0.769
  226    HE2  PHE  26           HE2      PHE  26  24.356 -11.094  -1.545
  227    HZ   PHE  26           HZ       PHE  26  22.571 -10.958   0.169
  228    H    LYS  27           HN       LYS  27  26.135 -16.722  -2.501
  229    HA   LYS  27           HA       LYS  27  25.935 -19.042  -3.993
  230    HB2  LYS  27           HB2      LYS  27  28.551 -18.048  -2.866
  231    HB3  LYS  27           HB1      LYS  27  28.264 -18.854  -4.406
  232    HG2  LYS  27           HG2      LYS  27  27.353 -16.068  -3.624
  233    HG3  LYS  27           HG1      LYS  27  28.561 -16.485  -4.837
  234    HD2  LYS  27           HD2      LYS  27  26.658 -17.845  -5.956
  235    HD3  LYS  27           HD1      LYS  27  25.578 -16.894  -4.937
  236    HE2  LYS  27           HE2      LYS  27  27.176 -14.927  -5.925
  237    HE3  LYS  27           HE1      LYS  27  27.187 -16.058  -7.278
  238    HZ1  LYS  27           HZ1      LYS  27  25.351 -14.482  -7.426
  239    HZ2  LYS  27           HZ2      LYS  27  24.754 -15.018  -5.929
  240    HZ3  LYS  27           HZ3      LYS  27  24.783 -16.071  -7.262
  241    H    TYR  28           HN       TYR  28  25.984 -18.927  -0.659
  242    HA   TYR  28           HA       TYR  28  27.007 -21.706  -0.500
  243    HB2  TYR  28           HB2      TYR  28  28.622 -20.859   0.823
  244    HB3  TYR  28           HB1      TYR  28  27.769 -19.335   1.052
  245    HD1  TYR  28           HD2      TYR  28  27.776 -22.912   2.088
  246    HD2  TYR  28           HD1      TYR  28  26.541 -18.909   3.027
  247    HE1  TYR  28           HE2      TYR  28  27.028 -23.669   4.331
  248    HE2  TYR  28           HE1      TYR  28  25.793 -19.663   5.269
  249    HH   TYR  28           HH       TYR  28  25.138 -22.645   6.077
  250    H    LEU  29           HN       LEU  29  24.684 -19.324   0.652
  251    HA   LEU  29           HA       LEU  29  23.302 -21.406   2.184
  252    HB2  LEU  29           HB2      LEU  29  23.871 -19.074   3.145
  253    HB3  LEU  29           HB1      LEU  29  22.551 -18.490   2.134
  254    HG   LEU  29           HG       LEU  29  21.592 -20.800   3.494
  255   HD11  LEU  29          HD11      LEU  29  21.870 -20.094   5.838
  256   HD12  LEU  29          HD12      LEU  29  22.920 -18.776   5.319
  257   HD13  LEU  29          HD13      LEU  29  23.431 -20.450   5.101
  258   HD21  LEU  29          HD21      LEU  29  20.059 -19.106   4.503
  259   HD22  LEU  29          HD22      LEU  29  20.222 -18.922   2.756
  260   HD23  LEU  29          HD23      LEU  29  21.083 -17.831   3.844
  261    H    GLN  30           HN       GLN  30  22.981 -19.292  -0.580
  262    HA   GLN  30           HA       GLN  30  20.168 -19.956  -0.971
  263    HB2  GLN  30           HB2      GLN  30  20.769 -17.693  -1.446
  264    HB3  GLN  30           HB1      GLN  30  22.109 -18.198  -2.471
  265    HG2  GLN  30           HG2      GLN  30  20.728 -18.849  -4.211
  266    HG3  GLN  30           HG1      GLN  30  19.342 -19.112  -3.153
  267   HE21  GLN  30          HE21      GLN  30  20.984 -16.157  -2.473
  268   HE22  GLN  30          HE22      GLN  30  19.917 -15.125  -3.292
  269    H    LYS  31           HN       LYS  31  23.147 -21.316  -1.769
  270    HA   LYS  31           HA       LYS  31  22.055 -22.627  -4.180
  271    HB2  LYS  31           HB2      LYS  31  24.807 -21.932  -3.268
  272    HB3  LYS  31           HB1      LYS  31  24.611 -23.406  -4.216
  273    HG2  LYS  31           HG2      LYS  31  25.059 -21.433  -5.655
  274    HG3  LYS  31           HG1      LYS  31  23.487 -22.157  -5.993
  275    HD2  LYS  31           HD2      LYS  31  22.318 -20.429  -4.887
  276    HD3  LYS  31           HD1      LYS  31  23.755 -19.891  -4.020
  277    HE2  LYS  31           HE2      LYS  31  24.754 -19.175  -6.187
  278    HE3  LYS  31           HE1      LYS  31  23.260 -19.640  -7.001
  279    HZ1  LYS  31           HZ1      LYS  31  22.108 -18.093  -5.417
  280    HZ2  LYS  31           HZ2      LYS  31  23.102 -17.346  -6.575
  281    HZ3  LYS  31           HZ3      LYS  31  23.639 -17.516  -4.972
  282    H    LYS  32           HN       LYS  32  20.741 -23.698  -2.344
  283    HA   LYS  32           HA       LYS  32  22.077 -26.248  -1.717
  284    HB2  LYS  32           HB2      LYS  32  20.678 -24.378   0.176
  285    HB3  LYS  32           HB1      LYS  32  20.666 -26.116   0.482
  286    HG2  LYS  32           HG2      LYS  32  22.834 -26.111   1.142
  287    HG3  LYS  32           HG1      LYS  32  23.331 -25.086  -0.206
  288    HD2  LYS  32           HD2      LYS  32  23.651 -23.953   1.971
  289    HD3  LYS  32           HD1      LYS  32  22.490 -23.114   0.940
  290    HE2  LYS  32           HE2      LYS  32  20.803 -23.441   2.403
  291    HE3  LYS  32           HE1      LYS  32  21.217 -25.145   2.608
  292    HZ1  LYS  32           HZ1      LYS  32  22.576 -22.858   3.930
  293    HZ2  LYS  32           HZ2      LYS  32  22.989 -24.493   4.119
  294    HZ3  LYS  32           HZ3      LYS  32  21.487 -23.925   4.671
  Start of MODEL   35
    1    H1   LYS   1           HT1      LYS   1  21.141  17.340  -2.034
    2    H2   LYS   1           HT2      LYS   1  21.312  16.908  -0.399
    3    H3   LYS   1           HT3      LYS   1  20.300  18.200  -0.838
    4    HA   LYS   1           HA       LYS   1  19.070  16.149  -0.274
    5    HB2  LYS   1           HB2      LYS   1  18.549  18.004  -2.177
    6    HB3  LYS   1           HB1      LYS   1  18.591  16.551  -3.177
    7    HG2  LYS   1           HG2      LYS   1  17.003  15.474  -1.537
    8    HG3  LYS   1           HG1      LYS   1  16.853  17.043  -0.745
    9    HD2  LYS   1           HD2      LYS   1  15.215  17.511  -2.224
   10    HD3  LYS   1           HD1      LYS   1  16.474  17.605  -3.454
   11    HE2  LYS   1           HE2      LYS   1  16.227  15.194  -3.901
   12    HE3  LYS   1           HE1      LYS   1  14.977  15.088  -2.661
   13    HZ1  LYS   1           HZ1      LYS   1  14.402  15.469  -5.191
   14    HZ2  LYS   1           HZ2      LYS   1  14.641  17.095  -4.758
   15    HZ3  LYS   1           HZ3      LYS   1  13.473  16.160  -3.951
   16    H    LYS   2           HN       LYS   2  21.872  15.408  -1.245
   17    HA   LYS   2           HA       LYS   2  21.706  13.453  -3.262
   18    HB2  LYS   2           HB2      LYS   2  23.828  14.422  -2.375
   19    HB3  LYS   2           HB1      LYS   2  23.592  13.492  -0.895
   20    HG2  LYS   2           HG2      LYS   2  23.259  11.704  -3.091
   21    HG3  LYS   2           HG1      LYS   2  24.742  12.617  -3.368
   22    HD2  LYS   2           HD2      LYS   2  24.052  11.182  -0.786
   23    HD3  LYS   2           HD1      LYS   2  25.144  10.562  -2.024
   24    HE2  LYS   2           HE2      LYS   2  25.960  13.224  -1.452
   25    HE3  LYS   2           HE1      LYS   2  25.719  12.413   0.095
   26    HZ1  LYS   2           HZ1      LYS   2  27.867  11.838  -0.436
   27    HZ2  LYS   2           HZ2      LYS   2  27.554  11.722  -2.101
   28    HZ3  LYS   2           HZ3      LYS   2  27.011  10.507  -1.043
   29    H    HIS   3           HN       HIS   3  22.175  12.765   0.206
   30    HA   HIS   3           HA       HIS   3  19.985  10.909   0.311
   31    HB2  HIS   3           HB2      HIS   3  21.796   9.656  -0.967
   32    HB3  HIS   3           HB1      HIS   3  22.744   9.699   0.521
   33    HD2  HIS   3           HD2      HIS   3  22.280   6.786   0.579
   34    HE1  HIS   3           HE1      HIS   3  18.281   7.203   1.864
   35    HE2  HIS   3           HE2      HIS   3  20.196   5.561   1.563
   36    H    THR   4           HN       THR   4  22.070   9.428   2.221
   37    HA   THR   4           HA       THR   4  21.780  11.335   4.467
   38    HB   THR   4           HB       THR   4  20.122   9.646   4.831
   39    HG1  THR   4           HG1      THR   4  21.047   9.921   6.736
   40   HG21  THR   4          HG21      THR   4  20.348   7.653   3.823
   41   HG22  THR   4          HG22      THR   4  21.583   7.233   5.007
   42   HG23  THR   4          HG23      THR   4  22.046   7.978   3.476
   43    H    ILE   5           HN       ILE   5  23.019   8.383   5.412
   44    HA   ILE   5           HA       ILE   5  25.790   9.398   5.232
   45    HB   ILE   5           HB       ILE   5  26.106   7.814   7.245
   46   HG12  ILE   5          HG12      ILE   5  23.295   8.304   7.975
   47   HG13  ILE   5          HG11      ILE   5  23.501   7.137   6.669
   48   HG21  ILE   5          HG21      ILE   5  24.936   9.626   8.743
   49   HG22  ILE   5          HG22      ILE   5  24.659  10.444   7.205
   50   HG23  ILE   5          HG23      ILE   5  26.304  10.089   7.731
   51   HD11  ILE   5          HD11      ILE   5  23.552   6.200   9.056
   52   HD12  ILE   5          HD12      ILE   5  25.124   6.987   9.208
   53   HD13  ILE   5          HD13      ILE   5  24.879   5.731   7.993
   54    H    TRP   6           HN       TRP   6  23.627   6.810   4.505
   55    HA   TRP   6           HA       TRP   6  25.187   4.574   4.314
   56    HB2  TRP   6           HB2      TRP   6  22.788   5.547   3.041
   57    HB3  TRP   6           HB1      TRP   6  23.771   4.656   1.879
   58    HD1  TRP   6           HD1      TRP   6  22.658   2.356   1.800
   59    HE1  TRP   6           HE1      TRP   6  22.075   0.544   3.531
   60    HE3  TRP   6           HE3      TRP   6  23.720   4.885   6.097
   61    HZ2  TRP   6           HZ2      TRP   6  22.064   0.213   6.367
   62    HZ3  TRP   6           HZ3      TRP   6  23.415   3.799   8.305
   63    HH2  TRP   6           HH2      TRP   6  22.589   1.466   8.445
   64    H    GLU   7           HN       GLU   7  24.851   7.003   1.717
   65    HA   GLU   7           HA       GLU   7  26.803   5.926   0.018
   66    HB2  GLU   7           HB2      GLU   7  25.222   8.333   0.197
   67    HB3  GLU   7           HB1      GLU   7  26.859   8.705  -0.344
   68    HG2  GLU   7           HG2      GLU   7  25.138   6.519  -1.540
   69    HG3  GLU   7           HG1      GLU   7  25.279   8.139  -2.217
   70    H    VAL   8           HN       VAL   8  27.234   7.182   3.068
   71    HA   VAL   8           HA       VAL   8  29.978   8.102   2.500
   72    HB   VAL   8           HB       VAL   8  28.526   8.454   5.117
   73   HG11  VAL   8          HG11      VAL   8  30.221   9.956   5.616
   74   HG12  VAL   8          HG12      VAL   8  30.537  10.322   3.919
   75   HG13  VAL   8          HG13      VAL   8  31.105   8.804   4.614
   76   HG21  VAL   8          HG21      VAL   8  27.873  10.695   4.303
   77   HG22  VAL   8          HG22      VAL   8  27.135   9.434   3.318
   78   HG23  VAL   8          HG23      VAL   8  28.539  10.314   2.716
   79    H    ILE   9           HN       ILE   9  28.072   5.855   4.451
   80    HA   ILE   9           HA       ILE   9  30.571   4.529   5.279
   81    HB   ILE   9           HB       ILE   9  29.612   5.125   7.281
   82   HG12  ILE   9          HG12      ILE   9  29.536   2.455   6.792
   83   HG13  ILE   9          HG11      ILE   9  29.109   3.174   8.331
   84   HG21  ILE   9          HG21      ILE   9  26.947   4.798   5.918
   85   HG22  ILE   9          HG22      ILE   9  27.701   6.270   6.525
   86   HG23  ILE   9          HG23      ILE   9  27.103   5.066   7.658
   87   HD11  ILE   9          HD11      ILE   9  26.782   3.041   7.897
   88   HD12  ILE   9          HD12      ILE   9  27.434   1.496   7.358
   89   HD13  ILE   9          HD13      ILE   9  27.032   2.737   6.181
   90    H    ALA  10           HN       ALA  10  27.227   3.976   4.219
   91    HA   ALA  10           HA       ALA  10  27.584   1.164   3.825
   92    HB1  ALA  10           HB1      ALA  10  25.364   2.252   4.141
   93    HB2  ALA  10           HB2      ALA  10  25.440   1.243   2.697
   94    HB3  ALA  10           HB3      ALA  10  25.540   2.996   2.552
   95    H    GLY  11           HN       GLY  11  26.995   3.700   1.373
   96    HA2  GLY  11           HA2      GLY  11  27.778   2.250  -0.855
   97    HA3  GLY  11           HA1      GLY  11  27.917   4.004  -0.723
   98    H    LEU  12           HN       LEU  12  29.614   3.273   1.786
   99    HA   LEU  12           HA       LEU  12  32.144   3.094   0.309
  100    HB2  LEU  12           HB2      LEU  12  31.638   5.052   1.879
  101    HB3  LEU  12           HB1      LEU  12  31.820   3.893   3.197
  102    HG   LEU  12           HG       LEU  12  34.054   3.312   1.808
  103   HD11  LEU  12          HD11      LEU  12  35.000   5.169   0.723
  104   HD12  LEU  12          HD12      LEU  12  33.889   6.302   1.492
  105   HD13  LEU  12          HD13      LEU  12  33.314   5.237   0.209
  106   HD21  LEU  12          HD21      LEU  12  33.683   5.587   3.782
  107   HD22  LEU  12          HD22      LEU  12  35.236   4.855   3.381
  108   HD23  LEU  12          HD23      LEU  12  33.991   3.896   4.179
  109    H    VAL  13           HN       VAL  13  30.148   1.496   2.673
  110    HA   VAL  13           HA       VAL  13  32.257  -0.553   3.052
  111    HB   VAL  13           HB       VAL  13  29.962   0.134   4.906
  112   HG11  VAL  13          HG11      VAL  13  31.276  -1.411   6.441
  113   HG12  VAL  13          HG12      VAL  13  32.198  -1.903   5.020
  114   HG13  VAL  13          HG13      VAL  13  30.461  -2.204   5.092
  115   HG21  VAL  13          HG21      VAL  13  32.104   1.679   4.631
  116   HG22  VAL  13          HG22      VAL  13  32.873   0.411   5.582
  117   HG23  VAL  13          HG23      VAL  13  31.490   1.286   6.236
  118    H    ALA  14           HN       ALA  14  28.698  -0.196   3.023
  119    HA   ALA  14           HA       ALA  14  27.929  -2.802   2.767
  120    HB1  ALA  14           HB1      ALA  14  26.816  -0.477   1.178
  121    HB2  ALA  14           HB2      ALA  14  26.341  -0.920   2.818
  122    HB3  ALA  14           HB3      ALA  14  25.995  -2.009   1.473
  123    H    LEU  15           HN       LEU  15  29.158  -0.701   0.183
  124    HA   LEU  15           HA       LEU  15  28.880  -2.639  -1.884
  125    HB2  LEU  15           HB2      LEU  15  29.129  -0.190  -2.296
  126    HB3  LEU  15           HB1      LEU  15  30.796  -0.295  -1.735
  127    HG   LEU  15           HG       LEU  15  31.280  -1.946  -3.531
  128   HD11  LEU  15          HD11      LEU  15  29.373  -1.800  -5.404
  129   HD12  LEU  15          HD12      LEU  15  28.347  -1.591  -3.987
  130   HD13  LEU  15          HD13      LEU  15  29.340  -3.038  -4.148
  131   HD21  LEU  15          HD21      LEU  15  30.333  -0.023  -5.360
  132   HD22  LEU  15          HD22      LEU  15  31.924  -0.069  -4.600
  133   HD23  LEU  15          HD23      LEU  15  30.619   0.856  -3.859
  134    H    LEU  16           HN       LEU  16  31.351  -1.886   0.475
  135    HA   LEU  16           HA       LEU  16  33.238  -3.780  -0.698
  136    HB2  LEU  16           HB2      LEU  16  33.549  -2.277   1.898
  137    HB3  LEU  16           HB1      LEU  16  34.814  -2.958   0.873
  138    HG   LEU  16           HG       LEU  16  32.995  -0.632   0.190
  139   HD11  LEU  16          HD11      LEU  16  34.992  -0.296   1.762
  140   HD12  LEU  16          HD12      LEU  16  34.961   0.713   0.315
  141   HD13  LEU  16          HD13      LEU  16  36.012  -0.703   0.381
  142   HD21  LEU  16          HD21      LEU  16  34.622  -0.568  -1.841
  143   HD22  LEU  16          HD22      LEU  16  33.308  -1.745  -1.862
  144   HD23  LEU  16          HD23      LEU  16  34.942  -2.256  -1.440
  145    H    THR  17           HN       THR  17  30.570  -3.966   1.219
  146    HA   THR  17           HA       THR  17  31.599  -6.307   2.704
  147    HB   THR  17           HB       THR  17  29.689  -4.146   3.459
  148    HG1  THR  17           HG1      THR  17  30.934  -4.124   5.204
  149   HG21  THR  17          HG21      THR  17  29.489  -7.045   4.269
  150   HG22  THR  17          HG22      THR  17  28.199  -5.962   3.743
  151   HG23  THR  17          HG23      THR  17  28.934  -5.753   5.331
  152    H    PHE  18           HN       PHE  18  28.474  -5.016   1.559
  153    HA   PHE  18           HA       PHE  18  27.012  -7.309   1.408
  154    HB2  PHE  18           HB2      PHE  18  26.425  -4.865   0.703
  155    HB3  PHE  18           HB1      PHE  18  26.914  -5.400  -0.907
  156    HD1  PHE  18           HD2      PHE  18  24.544  -5.980   1.881
  157    HD2  PHE  18           HD1      PHE  18  25.595  -6.977  -2.163
  158    HE1  PHE  18           HE2      PHE  18  22.356  -7.110   1.590
  159    HE2  PHE  18           HE1      PHE  18  23.409  -8.107  -2.454
  160    HZ   PHE  18           HZ       PHE  18  21.786  -8.173  -0.576
  161    H    LEU  19           HN       LEU  19  29.389  -6.177  -0.969
  162    HA   LEU  19           HA       LEU  19  28.940  -8.368  -2.773
  163    HB2  LEU  19           HB2      LEU  19  31.006  -6.190  -2.559
  164    HB3  LEU  19           HB1      LEU  19  31.200  -7.500  -3.720
  165    HG   LEU  19           HG       LEU  19  30.043  -5.454  -4.647
  166   HD11  LEU  19          HD11      LEU  19  28.980  -6.819  -6.098
  167   HD12  LEU  19          HD12      LEU  19  27.871  -7.390  -4.852
  168   HD13  LEU  19          HD13      LEU  19  29.445  -8.158  -5.047
  169   HD21  LEU  19          HD21      LEU  19  27.862  -4.862  -3.904
  170   HD22  LEU  19          HD22      LEU  19  28.806  -5.076  -2.429
  171   HD23  LEU  19          HD23      LEU  19  27.700  -6.343  -2.959
  172    H    ALA  20           HN       ALA  20  30.848  -7.880   0.062
  173    HA   ALA  20           HA       ALA  20  32.689 -10.053  -0.533
  174    HB1  ALA  20           HB1      ALA  20  32.666  -7.837   1.236
  175    HB2  ALA  20           HB2      ALA  20  33.951  -9.023   1.004
  176    HB3  ALA  20           HB3      ALA  20  32.715  -9.292   2.232
  177    H    PHE  21           HN       PHE  21  30.050  -9.413   1.764
  178    HA   PHE  21           HA       PHE  21  30.080 -12.140   2.736
  179    HB2  PHE  21           HB2      PHE  21  28.289  -9.767   3.274
  180    HB3  PHE  21           HB1      PHE  21  28.040 -11.351   4.009
  181    HD1  PHE  21           HD2      PHE  21  30.761  -8.829   3.449
  182    HD2  PHE  21           HD1      PHE  21  29.097 -11.827   6.038
  183    HE1  PHE  21           HE2      PHE  21  32.477  -8.304   5.159
  184    HE2  PHE  21           HE1      PHE  21  30.813 -11.302   7.747
  185    HZ   PHE  21           HZ       PHE  21  32.505  -9.541   7.306
  186    H    GLY  22           HN       GLY  22  27.957 -10.111   0.739
  187    HA2  GLY  22           HA2      GLY  22  25.874 -11.930   0.328
  188    HA3  GLY  22           HA1      GLY  22  26.337 -10.660  -0.801
  189    H    PHE  23           HN       PHE  23  28.911 -11.494  -1.476
  190    HA   PHE  23           HA       PHE  23  28.412 -13.324  -3.523
  191    HB2  PHE  23           HB2      PHE  23  30.317 -12.049  -3.890
  192    HB3  PHE  23           HB1      PHE  23  30.888 -12.241  -2.232
  193    HD1  PHE  23           HD2      PHE  23  30.302 -14.125  -5.404
  194    HD2  PHE  23           HD1      PHE  23  32.405 -13.944  -1.664
  195    HE1  PHE  23           HE2      PHE  23  31.692 -16.058  -6.093
  196    HE2  PHE  23           HE1      PHE  23  33.794 -15.877  -2.353
  197    HZ   PHE  23           HZ       PHE  23  33.438 -16.936  -4.569
  198    H    TRP  24           HN       TRP  24  28.699 -13.841  -0.216
  199    HA   TRP  24           HA       TRP  24  29.387 -16.685  -0.604
  200    HB2  TRP  24           HB2      TRP  24  30.959 -15.668   0.894
  201    HB3  TRP  24           HB1      TRP  24  29.665 -14.902   1.816
  202    HD1  TRP  24           HD1      TRP  24  30.347 -18.532   0.669
  203    HE1  TRP  24           HE1      TRP  24  29.928 -20.101   2.676
  204    HE3  TRP  24           HE3      TRP  24  29.067 -15.098   4.204
  205    HZ2  TRP  24           HZ2      TRP  24  29.151 -19.913   5.419
  206    HZ3  TRP  24           HZ3      TRP  24  28.490 -15.812   6.510
  207    HH2  TRP  24           HH2      TRP  24  28.531 -18.214   7.119
  208    H    LEU  25           HN       LEU  25  27.722 -14.945   1.978
  209    HA   LEU  25           HA       LEU  25  25.991 -16.568   3.031
  210    HB2  LEU  25           HB2      LEU  25  25.638 -13.786   2.114
  211    HB3  LEU  25           HB1      LEU  25  24.154 -14.647   2.527
  212    HG   LEU  25           HG       LEU  25  26.563 -14.711   4.338
  213   HD11  LEU  25          HD11      LEU  25  24.275 -12.722   4.441
  214   HD12  LEU  25          HD12      LEU  25  25.917 -12.336   3.928
  215   HD13  LEU  25          HD13      LEU  25  25.607 -12.839   5.591
  216   HD21  LEU  25          HD21      LEU  25  25.194 -15.833   5.757
  217   HD22  LEU  25          HD22      LEU  25  24.144 -16.071   4.362
  218   HD23  LEU  25          HD23      LEU  25  23.852 -14.728   5.465
  219    H    PHE  26           HN       PHE  26  25.090 -15.092  -0.106
  220    HA   PHE  26           HA       PHE  26  22.896 -16.916  -0.426
  221    HB2  PHE  26           HB2      PHE  26  24.129 -15.323  -2.658
  222    HB3  PHE  26           HB1      PHE  26  22.442 -15.784  -2.435
  223    HD1  PHE  26           HD2      PHE  26  21.623 -15.038   0.125
  224    HD2  PHE  26           HD1      PHE  26  24.485 -13.038  -2.379
  225    HE1  PHE  26           HE2      PHE  26  21.185 -12.916   1.322
  226    HE2  PHE  26           HE1      PHE  26  24.048 -10.914  -1.177
  227    HZ   PHE  26           HZ       PHE  26  22.404 -10.855   0.676
  228    H    LYS  27           HN       LYS  27  25.923 -16.465  -2.258
  229    HA   LYS  27           HA       LYS  27  25.628 -18.741  -3.855
  230    HB2  LYS  27           HB2      LYS  27  28.305 -17.638  -2.993
  231    HB3  LYS  27           HB1      LYS  27  27.909 -18.464  -4.493
  232    HG2  LYS  27           HG2      LYS  27  26.578 -15.842  -3.776
  233    HG3  LYS  27           HG1      LYS  27  28.147 -15.873  -4.552
  234    HD2  LYS  27           HD2      LYS  27  25.854 -17.437  -5.709
  235    HD3  LYS  27           HD1      LYS  27  26.032 -15.719  -6.043
  236    HE2  LYS  27           HE2      LYS  27  27.774 -16.062  -7.445
  237    HE3  LYS  27           HE1      LYS  27  28.534 -17.231  -6.366
  238    HZ1  LYS  27           HZ1      LYS  27  26.416 -18.613  -7.168
  239    HZ2  LYS  27           HZ2      LYS  27  27.915 -18.660  -7.966
  240    HZ3  LYS  27           HZ3      LYS  27  26.669 -17.662  -8.549
  241    H    TYR  28           HN       TYR  28  25.798 -18.787  -0.604
  242    HA   TYR  28           HA       TYR  28  27.096 -21.449  -0.587
  243    HB2  TYR  28           HB2      TYR  28  28.582 -20.566   0.860
  244    HB3  TYR  28           HB1      TYR  28  27.612 -19.118   1.109
  245    HD1  TYR  28           HD1      TYR  28  27.510 -22.788   1.891
  246    HD2  TYR  28           HD2      TYR  28  26.648 -18.792   3.206
  247    HE1  TYR  28           HE1      TYR  28  26.750 -23.671   4.082
  248    HE2  TYR  28           HE2      TYR  28  25.889 -19.672   5.394
  249    HH   TYR  28           HH       TYR  28  25.037 -21.765   6.336
  250    H    LEU  29           HN       LEU  29  24.684 -19.346   0.971
  251    HA   LEU  29           HA       LEU  29  23.373 -21.696   2.121
  252    HB2  LEU  29           HB2      LEU  29  23.759 -19.219   3.143
  253    HB3  LEU  29           HB1      LEU  29  22.150 -19.022   2.446
  254    HG   LEU  29           HG       LEU  29  22.989 -21.211   4.370
  255   HD11  LEU  29          HD11      LEU  29  21.240 -20.013   5.812
  256   HD12  LEU  29          HD12      LEU  29  21.375 -18.673   4.671
  257   HD13  LEU  29          HD13      LEU  29  22.784 -19.185   5.603
  258   HD21  LEU  29          HD21      LEU  29  20.351 -21.404   4.363
  259   HD22  LEU  29          HD22      LEU  29  21.299 -22.208   3.111
  260   HD23  LEU  29          HD23      LEU  29  20.509 -20.668   2.768
  261    H    GLN  30           HN       GLN  30  22.709 -19.077  -0.170
  262    HA   GLN  30           HA       GLN  30  20.054 -20.030  -0.766
  263    HB2  GLN  30           HB2      GLN  30  20.545 -17.667  -1.002
  264    HB3  GLN  30           HB1      GLN  30  21.831 -18.015  -2.153
  265    HG2  GLN  30           HG2      GLN  30  20.398 -18.418  -3.867
  266    HG3  GLN  30           HG1      GLN  30  19.175 -19.133  -2.819
  267   HE21  GLN  30          HE21      GLN  30  20.505 -15.995  -1.948
  268   HE22  GLN  30          HE22      GLN  30  19.129 -15.091  -2.364
  269    H    LYS  31           HN       LYS  31  23.221 -20.839  -1.762
  270    HA   LYS  31           HA       LYS  31  22.185 -22.275  -4.135
  271    HB2  LYS  31           HB2      LYS  31  24.781 -20.905  -3.560
  272    HB3  LYS  31           HB1      LYS  31  24.794 -22.318  -4.613
  273    HG2  LYS  31           HG2      LYS  31  24.515 -20.132  -5.833
  274    HG3  LYS  31           HG1      LYS  31  23.221 -21.293  -6.130
  275    HD2  LYS  31           HD2      LYS  31  21.680 -20.109  -4.844
  276    HD3  LYS  31           HD1      LYS  31  22.931 -19.310  -3.891
  277    HE2  LYS  31           HE2      LYS  31  22.929 -18.735  -6.808
  278    HE3  LYS  31           HE1      LYS  31  21.584 -18.073  -5.880
  279    HZ1  LYS  31           HZ1      LYS  31  22.904 -16.575  -4.947
  280    HZ2  LYS  31           HZ2      LYS  31  24.100 -17.018  -6.068
  281    HZ3  LYS  31           HZ3      LYS  31  24.068 -17.734  -4.528
  282    H    LYS  32           HN       LYS  32  21.512 -23.790  -2.273
  283    HA   LYS  32           HA       LYS  32  23.526 -25.890  -2.139
  284    HB2  LYS  32           HB2      LYS  32  23.266 -26.180   0.297
  285    HB3  LYS  32           HB1      LYS  32  23.966 -24.610  -0.100
  286    HG2  LYS  32           HG2      LYS  32  22.334 -23.751   1.214
  287    HG3  LYS  32           HG1      LYS  32  21.258 -24.081  -0.146
  288    HD2  LYS  32           HD2      LYS  32  20.984 -26.431   0.836
  289    HD3  LYS  32           HD1      LYS  32  21.757 -25.800   2.290
  290    HE2  LYS  32           HE2      LYS  32  19.685 -25.150   2.921
  291    HE3  LYS  32           HE1      LYS  32  19.854 -23.873   1.719
  292    HZ1  LYS  32           HZ1      LYS  32  18.974 -25.527   0.071
  293    HZ2  LYS  32           HZ2      LYS  32  17.857 -24.992   1.234
  294    HZ3  LYS  32           HZ3      LYS  32  18.576 -26.524   1.383
  Start of MODEL   36
    1    H1   LYS   1           HT1      LYS   1  23.804  18.645   1.974
    2    H2   LYS   1           HT2      LYS   1  24.096  17.024   1.560
    3    H3   LYS   1           HT3      LYS   1  22.505  17.617   1.611
    4    HA   LYS   1           HA       LYS   1  22.728  18.824  -0.330
    5    HB2  LYS   1           HB2      LYS   1  24.965  19.779   0.524
    6    HB3  LYS   1           HB1      LYS   1  25.718  18.404  -0.283
    7    HG2  LYS   1           HG2      LYS   1  24.471  19.097  -2.385
    8    HG3  LYS   1           HG1      LYS   1  24.040  20.584  -1.543
    9    HD2  LYS   1           HD2      LYS   1  26.004  21.403  -2.315
   10    HD3  LYS   1           HD1      LYS   1  26.764  20.388  -1.087
   11    HE2  LYS   1           HE2      LYS   1  27.828  19.837  -3.163
   12    HE3  LYS   1           HE1      LYS   1  26.731  18.503  -2.800
   13    HZ1  LYS   1           HZ1      LYS   1  26.770  20.075  -5.077
   14    HZ2  LYS   1           HZ2      LYS   1  25.366  20.522  -4.229
   15    HZ3  LYS   1           HZ3      LYS   1  25.622  18.898  -4.657
   16    H    LYS   2           HN       LYS   2  24.594  15.981   0.534
   17    HA   LYS   2           HA       LYS   2  24.237  14.849  -2.153
   18    HB2  LYS   2           HB2      LYS   2  26.431  14.453  -1.450
   19    HB3  LYS   2           HB1      LYS   2  25.946  14.141   0.217
   20    HG2  LYS   2           HG2      LYS   2  25.133  11.989  -0.292
   21    HG3  LYS   2           HG1      LYS   2  25.015  12.342  -2.016
   22    HD2  LYS   2           HD2      LYS   2  26.954  10.873  -1.484
   23    HD3  LYS   2           HD1      LYS   2  27.454  12.406  -2.201
   24    HE2  LYS   2           HE2      LYS   2  28.129  13.289  -0.092
   25    HE3  LYS   2           HE1      LYS   2  27.308  12.001   0.791
   26    HZ1  LYS   2           HZ1      LYS   2  29.735  11.691   0.632
   27    HZ2  LYS   2           HZ2      LYS   2  29.594  11.575  -1.056
   28    HZ3  LYS   2           HZ3      LYS   2  28.861  10.412  -0.057
   29    H    HIS   3           HN       HIS   3  24.008  13.517   1.147
   30    HA   HIS   3           HA       HIS   3  21.283  12.737   0.914
   31    HB2  HIS   3           HB2      HIS   3  21.381  10.547   0.238
   32    HB3  HIS   3           HB1      HIS   3  22.792  11.138  -0.637
   33    HD2  HIS   3           HD2      HIS   3  22.374   8.032   0.958
   34    HE1  HIS   3           HE1      HIS   3  25.785   9.410   3.018
   35    HE2  HIS   3           HE2      HIS   3  24.371   7.368   2.502
   36    H    THR   4           HN       THR   4  21.511  10.353   2.550
   37    HA   THR   4           HA       THR   4  21.830  11.598   5.106
   38    HB   THR   4           HB       THR   4  20.206   9.894   5.064
   39    HG1  THR   4           HG1      THR   4  21.349   8.144   6.315
   40   HG21  THR   4          HG21      THR   4  20.813   8.755   3.017
   41   HG22  THR   4          HG22      THR   4  20.752   7.559   4.309
   42   HG23  THR   4          HG23      THR   4  22.305   8.157   3.738
   43    H    ILE   5           HN       ILE   5  23.142   8.506   5.305
   44    HA   ILE   5           HA       ILE   5  25.911   9.550   5.331
   45    HB   ILE   5           HB       ILE   5  26.213   7.877   7.261
   46   HG12  ILE   5          HG12      ILE   5  23.414   8.357   8.034
   47   HG13  ILE   5          HG11      ILE   5  23.599   7.257   6.668
   48   HG21  ILE   5          HG21      ILE   5  25.319   9.584   8.900
   49   HG22  ILE   5          HG22      ILE   5  24.619  10.436   7.524
   50   HG23  ILE   5          HG23      ILE   5  26.368  10.249   7.647
   51   HD11  ILE   5          HD11      ILE   5  24.964   5.767   7.909
   52   HD12  ILE   5          HD12      ILE   5  23.652   6.199   9.007
   53   HD13  ILE   5          HD13      ILE   5  25.236   6.954   9.184
   54    H    TRP   6           HN       TRP   6  23.707   6.978   4.565
   55    HA   TRP   6           HA       TRP   6  25.207   4.742   4.242
   56    HB2  TRP   6           HB2      TRP   6  22.888   5.873   2.938
   57    HB3  TRP   6           HB1      TRP   6  23.867   4.965   1.789
   58    HD1  TRP   6           HD1      TRP   6  22.574   2.765   1.609
   59    HE1  TRP   6           HE1      TRP   6  21.881   0.920   3.262
   60    HE3  TRP   6           HE3      TRP   6  23.790   5.035   6.011
   61    HZ2  TRP   6           HZ2      TRP   6  21.848   0.466   6.081
   62    HZ3  TRP   6           HZ3      TRP   6  23.420   3.876   8.168
   63    HH2  TRP   6           HH2      TRP   6  22.450   1.596   8.211
   64    H    GLU   7           HN       GLU   7  24.843   6.881   1.422
   65    HA   GLU   7           HA       GLU   7  26.919   5.902  -0.070
   66    HB2  GLU   7           HB2      GLU   7  25.881   8.724   0.141
   67    HB3  GLU   7           HB1      GLU   7  27.065   8.226  -1.063
   68    HG2  GLU   7           HG2      GLU   7  24.786   6.400  -0.905
   69    HG3  GLU   7           HG1      GLU   7  24.309   8.043  -1.331
   70    H    VAL   8           HN       VAL   8  27.233   7.483   2.943
   71    HA   VAL   8           HA       VAL   8  30.004   8.266   2.368
   72    HB   VAL   8           HB       VAL   8  28.453   8.763   4.918
   73   HG11  VAL   8          HG11      VAL   8  30.402   9.528   5.715
   74   HG12  VAL   8          HG12      VAL   8  30.552  10.623   4.341
   75   HG13  VAL   8          HG13      VAL   8  31.203   8.988   4.240
   76   HG21  VAL   8          HG21      VAL   8  29.064  11.053   3.210
   77   HG22  VAL   8          HG22      VAL   8  27.540  10.609   3.971
   78   HG23  VAL   8          HG23      VAL   8  27.986   9.909   2.413
   79    H    ILE   9           HN       ILE   9  28.115   5.971   4.256
   80    HA   ILE   9           HA       ILE   9  30.635   4.691   5.111
   81    HB   ILE   9           HB       ILE   9  29.712   5.309   7.125
   82   HG12  ILE   9          HG12      ILE   9  29.673   2.641   6.671
   83   HG13  ILE   9          HG11      ILE   9  29.246   3.364   8.207
   84   HG21  ILE   9          HG21      ILE   9  27.211   5.206   7.553
   85   HG22  ILE   9          HG22      ILE   9  27.030   4.938   5.817
   86   HG23  ILE   9          HG23      ILE   9  27.779   6.416   6.413
   87   HD11  ILE   9          HD11      ILE   9  26.920   3.177   7.797
   88   HD12  ILE   9          HD12      ILE   9  27.598   1.643   7.256
   89   HD13  ILE   9          HD13      ILE   9  27.158   2.872   6.081
   90    H    ALA  10           HN       ALA  10  27.291   4.149   4.078
   91    HA   ALA  10           HA       ALA  10  27.578   1.324   3.756
   92    HB1  ALA  10           HB1      ALA  10  25.615   3.218   2.443
   93    HB2  ALA  10           HB2      ALA  10  25.379   2.424   4.000
   94    HB3  ALA  10           HB3      ALA  10  25.465   1.464   2.526
   95    H    GLY  11           HN       GLY  11  27.099   3.804   1.223
   96    HA2  GLY  11           HA2      GLY  11  27.883   2.278  -0.951
   97    HA3  GLY  11           HA1      GLY  11  28.075   4.029  -0.859
   98    H    LEU  12           HN       LEU  12  29.701   3.325   1.698
   99    HA   LEU  12           HA       LEU  12  32.249   3.038   0.279
  100    HB2  LEU  12           HB2      LEU  12  31.790   5.034   1.798
  101    HB3  LEU  12           HB1      LEU  12  31.871   3.897   3.145
  102    HG   LEU  12           HG       LEU  12  34.128   3.196   1.841
  103   HD11  LEU  12          HD11      LEU  12  33.538   5.130   0.200
  104   HD12  LEU  12          HD12      LEU  12  35.196   5.009   0.789
  105   HD13  LEU  12          HD13      LEU  12  34.093   6.189   1.498
  106   HD21  LEU  12          HD21      LEU  12  33.720   5.452   3.823
  107   HD22  LEU  12          HD22      LEU  12  35.301   4.781   3.429
  108   HD23  LEU  12          HD23      LEU  12  34.078   3.765   4.186
  109    H    VAL  13           HN       VAL  13  30.175   1.549   2.650
  110    HA   VAL  13           HA       VAL  13  32.200  -0.570   3.081
  111    HB   VAL  13           HB       VAL  13  29.921   0.259   4.893
  112   HG11  VAL  13          HG11      VAL  13  30.225  -2.066   5.205
  113   HG12  VAL  13          HG12      VAL  13  31.219  -1.330   6.462
  114   HG13  VAL  13          HG13      VAL  13  31.972  -1.952   4.993
  115   HG21  VAL  13          HG21      VAL  13  31.536   1.277   6.266
  116   HG22  VAL  13          HG22      VAL  13  32.088   1.712   4.649
  117   HG23  VAL  13          HG23      VAL  13  32.865   0.391   5.521
  118    H    ALA  14           HN       ALA  14  28.658  -0.083   3.027
  119    HA   ALA  14           HA       ALA  14  27.797  -2.665   2.782
  120    HB1  ALA  14           HB1      ALA  14  26.791  -0.255   1.243
  121    HB2  ALA  14           HB2      ALA  14  26.239  -0.790   2.831
  122    HB3  ALA  14           HB3      ALA  14  25.920  -1.781   1.406
  123    H    LEU  15           HN       LEU  15  28.966  -0.587   0.134
  124    HA   LEU  15           HA       LEU  15  28.683  -2.544  -1.892
  125    HB2  LEU  15           HB2      LEU  15  28.974  -0.110  -2.338
  126    HB3  LEU  15           HB1      LEU  15  30.640  -0.230  -1.773
  127    HG   LEU  15           HG       LEU  15  31.110  -1.902  -3.548
  128   HD11  LEU  15          HD11      LEU  15  29.205  -1.774  -5.422
  129   HD12  LEU  15          HD12      LEU  15  28.179  -1.531  -4.008
  130   HD13  LEU  15          HD13      LEU  15  29.160  -2.989  -4.144
  131   HD21  LEU  15          HD21      LEU  15  30.646   0.881  -3.844
  132   HD22  LEU  15          HD22      LEU  15  30.044   0.110  -5.309
  133   HD23  LEU  15          HD23      LEU  15  31.715  -0.138  -4.807
  134    H    LEU  16           HN       LEU  16  31.156  -1.849   0.472
  135    HA   LEU  16           HA       LEU  16  32.984  -3.814  -0.698
  136    HB2  LEU  16           HB2      LEU  16  33.420  -2.220   1.822
  137    HB3  LEU  16           HB1      LEU  16  34.632  -2.967   0.781
  138    HG   LEU  16           HG       LEU  16  32.855  -0.611   0.092
  139   HD11  LEU  16          HD11      LEU  16  34.988  -0.362   1.545
  140   HD12  LEU  16          HD12      LEU  16  34.831   0.683   0.133
  141   HD13  LEU  16          HD13      LEU  16  35.869  -0.742   0.065
  142   HD21  LEU  16          HD21      LEU  16  34.661  -2.358  -1.577
  143   HD22  LEU  16          HD22      LEU  16  34.370  -0.675  -2.021
  144   HD23  LEU  16          HD23      LEU  16  33.022  -1.811  -1.931
  145    H    THR  17           HN       THR  17  30.318  -4.015   1.106
  146    HA   THR  17           HA       THR  17  31.355  -6.276   2.703
  147    HB   THR  17           HB       THR  17  29.505  -4.061   3.480
  148    HG1  THR  17           HG1      THR  17  31.752  -4.256   4.117
  149   HG21  THR  17          HG21      THR  17  29.353  -6.937   4.375
  150   HG22  THR  17          HG22      THR  17  28.036  -5.860   3.908
  151   HG23  THR  17          HG23      THR  17  28.869  -5.622   5.443
  152    H    PHE  18           HN       PHE  18  28.259  -4.902   1.572
  153    HA   PHE  18           HA       PHE  18  26.643  -7.072   1.573
  154    HB2  PHE  18           HB2      PHE  18  26.294  -4.657   0.592
  155    HB3  PHE  18           HB1      PHE  18  26.700  -5.436  -0.937
  156    HD1  PHE  18           HD2      PHE  18  24.484  -5.815   2.057
  157    HD2  PHE  18           HD1      PHE  18  25.053  -6.621  -2.122
  158    HE1  PHE  18           HE2      PHE  18  22.186  -6.737   1.923
  159    HE2  PHE  18           HE1      PHE  18  22.756  -7.543  -2.258
  160    HZ   PHE  18           HZ       PHE  18  21.321  -7.601  -0.236
  161    H    LEU  19           HN       LEU  19  28.955  -6.293  -1.029
  162    HA   LEU  19           HA       LEU  19  28.433  -8.696  -2.499
  163    HB2  LEU  19           HB2      LEU  19  30.549  -6.561  -2.610
  164    HB3  LEU  19           HB1      LEU  19  30.704  -8.020  -3.584
  165    HG   LEU  19           HG       LEU  19  29.568  -6.093  -4.764
  166   HD11  LEU  19          HD11      LEU  19  28.915  -8.821  -4.783
  167   HD12  LEU  19          HD12      LEU  19  28.490  -7.632  -6.011
  168   HD13  LEU  19          HD13      LEU  19  27.361  -7.991  -4.707
  169   HD21  LEU  19          HD21      LEU  19  27.390  -5.391  -4.090
  170   HD22  LEU  19          HD22      LEU  19  28.363  -5.388  -2.620
  171   HD23  LEU  19          HD23      LEU  19  27.245  -6.714  -2.933
  172    H    ALA  20           HN       ALA  20  31.131  -7.649  -0.413
  173    HA   ALA  20           HA       ALA  20  32.763  -9.848  -0.546
  174    HB1  ALA  20           HB1      ALA  20  33.839  -8.773   1.098
  175    HB2  ALA  20           HB2      ALA  20  32.503  -9.048   2.215
  176    HB3  ALA  20           HB3      ALA  20  32.496  -7.633   1.163
  177    H    PHE  21           HN       PHE  21  30.067  -9.431   1.767
  178    HA   PHE  21           HA       PHE  21  30.235 -12.193   2.604
  179    HB2  PHE  21           HB2      PHE  21  28.305  -9.958   3.245
  180    HB3  PHE  21           HB1      PHE  21  28.167 -11.583   3.917
  181    HD1  PHE  21           HD1      PHE  21  30.585  -8.752   3.535
  182    HD2  PHE  21           HD2      PHE  21  29.393 -12.183   5.828
  183    HE1  PHE  21           HE1      PHE  21  32.279  -8.189   5.257
  184    HE2  PHE  21           HE2      PHE  21  31.087 -11.619   7.551
  185    HZ   PHE  21           HZ       PHE  21  32.529  -9.622   7.265
  186    H    GLY  22           HN       GLY  22  28.163 -10.225   0.531
  187    HA2  GLY  22           HA2      GLY  22  26.059 -12.002   0.101
  188    HA3  GLY  22           HA1      GLY  22  26.620 -10.815  -1.072
  189    H    PHE  23           HN       PHE  23  29.162 -11.730  -1.622
  190    HA   PHE  23           HA       PHE  23  28.734 -13.653  -3.578
  191    HB2  PHE  23           HB2      PHE  23  31.023 -12.288  -2.434
  192    HB3  PHE  23           HB1      PHE  23  31.413 -13.959  -2.836
  193    HD1  PHE  23           HD2      PHE  23  30.297 -14.765  -5.163
  194    HD2  PHE  23           HD1      PHE  23  31.305 -10.717  -4.140
  195    HE1  PHE  23           HE2      PHE  23  30.384 -14.176  -7.571
  196    HE2  PHE  23           HE1      PHE  23  31.393 -10.129  -6.545
  197    HZ   PHE  23           HZ       PHE  23  30.932 -11.859  -8.262
  198    H    TRP  24           HN       TRP  24  28.933 -14.028  -0.214
  199    HA   TRP  24           HA       TRP  24  29.495 -16.910  -0.457
  200    HB2  TRP  24           HB2      TRP  24  31.009 -15.891   1.090
  201    HB3  TRP  24           HB1      TRP  24  29.697 -15.023   1.890
  202    HD1  TRP  24           HD1      TRP  24  30.363 -18.727   1.000
  203    HE1  TRP  24           HE1      TRP  24  29.732 -20.172   3.045
  204    HE3  TRP  24           HE3      TRP  24  28.846 -15.077   4.208
  205    HZ2  TRP  24           HZ2      TRP  24  28.716 -19.815   5.691
  206    HZ3  TRP  24           HZ3      TRP  24  28.047 -15.648   6.489
  207    HH2  TRP  24           HH2      TRP  24  27.981 -18.012   7.233
  208    H    LEU  25           HN       LEU  25  27.703 -14.970   1.903
  209    HA   LEU  25           HA       LEU  25  25.880 -16.499   2.957
  210    HB2  LEU  25           HB2      LEU  25  25.617 -13.786   1.806
  211    HB3  LEU  25           HB1      LEU  25  24.109 -14.603   2.220
  212    HG   LEU  25           HG       LEU  25  26.417 -14.566   4.155
  213   HD11  LEU  25          HD11      LEU  25  24.242 -12.466   3.903
  214   HD12  LEU  25          HD12      LEU  25  25.944 -12.217   3.518
  215   HD13  LEU  25          HD13      LEU  25  25.456 -12.548   5.179
  216   HD21  LEU  25          HD21      LEU  25  24.898 -15.412   5.631
  217   HD22  LEU  25          HD22      LEU  25  23.998 -15.857   4.181
  218   HD23  LEU  25          HD23      LEU  25  23.604 -14.369   5.044
  219    H    PHE  26           HN       PHE  26  25.235 -15.246  -0.331
  220    HA   PHE  26           HA       PHE  26  23.030 -17.056  -0.708
  221    HB2  PHE  26           HB2      PHE  26  24.470 -15.624  -2.926
  222    HB3  PHE  26           HB1      PHE  26  22.759 -16.031  -2.804
  223    HD1  PHE  26           HD1      PHE  26  21.783 -15.117  -0.349
  224    HD2  PHE  26           HD2      PHE  26  24.857 -13.329  -2.759
  225    HE1  PHE  26           HE1      PHE  26  21.322 -12.919   0.694
  226    HE2  PHE  26           HE2      PHE  26  24.394 -11.130  -1.716
  227    HZ   PHE  26           HZ       PHE  26  22.631 -10.925   0.013
  228    H    LYS  27           HN       LYS  27  26.095 -16.736  -2.504
  229    HA   LYS  27           HA       LYS  27  25.999 -19.062  -3.948
  230    HB2  LYS  27           HB2      LYS  27  28.554 -18.069  -2.686
  231    HB3  LYS  27           HB1      LYS  27  28.351 -18.886  -4.235
  232    HG2  LYS  27           HG2      LYS  27  27.422 -16.092  -3.514
  233    HG3  LYS  27           HG1      LYS  27  28.663 -16.533  -4.685
  234    HD2  LYS  27           HD2      LYS  27  26.793 -17.871  -5.869
  235    HD3  LYS  27           HD1      LYS  27  25.680 -16.932  -4.873
  236    HE2  LYS  27           HE2      LYS  27  27.786 -15.734  -6.700
  237    HE3  LYS  27           HE1      LYS  27  26.073 -15.878  -7.095
  238    HZ1  LYS  27           HZ1      LYS  27  27.317 -13.849  -5.672
  239    HZ2  LYS  27           HZ2      LYS  27  26.369 -14.702  -4.551
  240    HZ3  LYS  27           HZ3      LYS  27  25.656 -14.050  -5.948
  241    H    TYR  28           HN       TYR  28  26.093 -18.872  -0.565
  242    HA   TYR  28           HA       TYR  28  27.097 -21.654  -0.364
  243    HB2  TYR  28           HB2      TYR  28  28.471 -20.801   1.193
  244    HB3  TYR  28           HB1      TYR  28  27.589 -19.279   1.257
  245    HD1  TYR  28           HD1      TYR  28  27.201 -22.872   2.257
  246    HD2  TYR  28           HD2      TYR  28  26.393 -18.759   3.193
  247    HE1  TYR  28           HE1      TYR  28  26.167 -23.562   4.406
  248    HE2  TYR  28           HE2      TYR  28  25.358 -19.447   5.337
  249    HH   TYR  28           HH       TYR  28  25.608 -22.691   6.538
  250    H    LEU  29           HN       LEU  29  24.734 -19.401   1.085
  251    HA   LEU  29           HA       LEU  29  23.203 -21.623   2.157
  252    HB2  LEU  29           HB2      LEU  29  23.579 -19.132   3.080
  253    HB3  LEU  29           HB1      LEU  29  22.095 -18.867   2.164
  254    HG   LEU  29           HG       LEU  29  22.502 -20.991   4.293
  255   HD11  LEU  29          HD11      LEU  29  22.312 -18.838   5.339
  256   HD12  LEU  29          HD12      LEU  29  20.729 -19.603   5.466
  257   HD13  LEU  29          HD13      LEU  29  21.010 -18.357   4.251
  258   HD21  LEU  29          HD21      LEU  29  20.280 -20.347   2.370
  259   HD22  LEU  29          HD22      LEU  29  19.892 -21.019   3.953
  260   HD23  LEU  29          HD23      LEU  29  20.920 -21.922   2.840
  261    H    GLN  30           HN       GLN  30  22.780 -19.102  -0.307
  262    HA   GLN  30           HA       GLN  30  20.175 -19.984  -1.095
  263    HB2  GLN  30           HB2      GLN  30  20.910 -17.691  -1.490
  264    HB3  GLN  30           HB1      GLN  30  22.203 -18.268  -2.538
  265    HG2  GLN  30           HG2      GLN  30  20.805 -18.671  -4.282
  266    HG3  GLN  30           HG1      GLN  30  19.506 -19.244  -3.238
  267   HE21  GLN  30          HE21      GLN  30  20.966 -16.115  -2.554
  268   HE22  GLN  30          HE22      GLN  30  19.653 -15.182  -3.088
  269    H    LYS  31           HN       LYS  31  23.325 -21.135  -1.677
  270    HA   LYS  31           HA       LYS  31  22.402 -22.704  -4.010
  271    HB2  LYS  31           HB2      LYS  31  25.021 -21.471  -3.307
  272    HB3  LYS  31           HB1      LYS  31  25.045 -23.015  -4.159
  273    HG2  LYS  31           HG2      LYS  31  25.060 -21.063  -5.714
  274    HG3  LYS  31           HG1      LYS  31  23.651 -22.101  -5.939
  275    HD2  LYS  31           HD2      LYS  31  22.193 -20.564  -4.974
  276    HD3  LYS  31           HD1      LYS  31  23.469 -19.793  -4.029
  277    HE2  LYS  31           HE2      LYS  31  24.157 -18.468  -5.783
  278    HE3  LYS  31           HE1      LYS  31  23.696 -19.657  -7.002
  279    HZ1  LYS  31           HZ1      LYS  31  22.104 -17.579  -5.740
  280    HZ2  LYS  31           HZ2      LYS  31  21.320 -19.065  -5.998
  281    HZ3  LYS  31           HZ3      LYS  31  22.005 -18.224  -7.305
  282    H    LYS  32           HN       LYS  32  21.444 -24.309  -2.669
  283    HA   LYS  32           HA       LYS  32  23.427 -26.140  -1.492
  284    HB2  LYS  32           HB2      LYS  32  21.548 -24.635  -0.008
  285    HB3  LYS  32           HB1      LYS  32  20.963 -26.298  -0.027
  286    HG2  LYS  32           HG2      LYS  32  23.173 -27.090   0.730
  287    HG3  LYS  32           HG1      LYS  32  23.764 -25.429   0.747
  288    HD2  LYS  32           HD2      LYS  32  21.273 -26.041   2.281
  289    HD3  LYS  32           HD1      LYS  32  22.813 -26.567   2.958
  290    HE2  LYS  32           HE2      LYS  32  23.688 -24.284   2.817
  291    HE3  LYS  32           HE1      LYS  32  22.190 -23.738   2.064
  292    HZ1  LYS  32           HZ1      LYS  32  22.459 -24.887   4.788
  293    HZ2  LYS  32           HZ2      LYS  32  20.996 -24.424   4.062
  294    HZ3  LYS  32           HZ3      LYS  32  22.179 -23.256   4.416
  Start of MODEL   37
    1    H1   LYS   1           HT1      LYS   1  24.311  16.415   2.151
    2    H2   LYS   1           HT2      LYS   1  23.779  17.892   1.498
    3    H3   LYS   1           HT3      LYS   1  24.866  17.879   2.804
    4    HA   LYS   1           HA       LYS   1  25.973  18.401   0.697
    5    HB2  LYS   1           HB2      LYS   1  26.713  16.521   2.678
    6    HB3  LYS   1           HB1      LYS   1  27.192  15.821   1.131
    7    HG2  LYS   1           HG2      LYS   1  28.388  17.882   0.544
    8    HG3  LYS   1           HG1      LYS   1  27.878  18.625   2.061
    9    HD2  LYS   1           HD2      LYS   1  29.246  15.990   2.264
   10    HD3  LYS   1           HD1      LYS   1  30.246  17.365   1.793
   11    HE2  LYS   1           HE2      LYS   1  29.562  18.606   3.770
   12    HE3  LYS   1           HE1      LYS   1  28.422  17.337   4.214
   13    HZ1  LYS   1           HZ1      LYS   1  30.162  15.845   4.655
   14    HZ2  LYS   1           HZ2      LYS   1  30.640  17.307   5.378
   15    HZ3  LYS   1           HZ3      LYS   1  31.320  16.825   3.898
   16    H    LYS   2           HN       LYS   2  24.455  15.196   0.846
   17    HA   LYS   2           HA       LYS   2  23.854  15.266  -1.970
   18    HB2  LYS   2           HB2      LYS   2  25.082  13.042  -2.360
   19    HB3  LYS   2           HB1      LYS   2  26.064  14.506  -2.321
   20    HG2  LYS   2           HG2      LYS   2  27.137  13.879  -0.423
   21    HG3  LYS   2           HG1      LYS   2  25.655  13.283   0.325
   22    HD2  LYS   2           HD2      LYS   2  25.822  11.177  -0.749
   23    HD3  LYS   2           HD1      LYS   2  27.001  11.775  -1.917
   24    HE2  LYS   2           HE2      LYS   2  27.790  10.342   0.163
   25    HE3  LYS   2           HE1      LYS   2  28.752  11.711  -0.395
   26    HZ1  LYS   2           HZ1      LYS   2  26.962  11.533   1.937
   27    HZ2  LYS   2           HZ2      LYS   2  27.278  13.042   1.223
   28    HZ3  LYS   2           HZ3      LYS   2  28.554  12.112   1.850
   29    H    HIS   3           HN       HIS   3  23.993  13.505   1.068
   30    HA   HIS   3           HA       HIS   3  21.282  12.650   0.859
   31    HB2  HIS   3           HB2      HIS   3  21.446  10.470   0.184
   32    HB3  HIS   3           HB1      HIS   3  22.872  11.075  -0.655
   33    HD2  HIS   3           HD2      HIS   3  22.411   7.998   1.036
   34    HE1  HIS   3           HE1      HIS   3  25.824   9.439   3.052
   35    HE2  HIS   3           HE2      HIS   3  24.399   7.386   2.615
   36    H    THR   4           HN       THR   4  21.528  10.332   2.544
   37    HA   THR   4           HA       THR   4  21.865  11.628   5.073
   38    HB   THR   4           HB       THR   4  20.225   9.938   5.072
   39    HG1  THR   4           HG1      THR   4  21.026   9.369   6.908
   40   HG21  THR   4          HG21      THR   4  20.826   8.748   3.047
   41   HG22  THR   4          HG22      THR   4  20.744   7.585   4.367
   42   HG23  THR   4          HG23      THR   4  22.307   8.148   3.788
   43    H    ILE   5           HN       ILE   5  23.149   8.531   5.344
   44    HA   ILE   5           HA       ILE   5  25.927   9.563   5.365
   45    HB   ILE   5           HB       ILE   5  26.214   7.878   7.285
   46   HG12  ILE   5          HG12      ILE   5  23.411   8.361   8.045
   47   HG13  ILE   5          HG11      ILE   5  23.604   7.265   6.675
   48   HG21  ILE   5          HG21      ILE   5  24.917  10.560   7.320
   49   HG22  ILE   5          HG22      ILE   5  26.454  10.047   8.015
   50   HG23  ILE   5          HG23      ILE   5  24.941   9.658   8.836
   51   HD11  ILE   5          HD11      ILE   5  24.960   5.769   7.920
   52   HD12  ILE   5          HD12      ILE   5  23.642   6.198   9.012
   53   HD13  ILE   5          HD13      ILE   5  25.226   6.952   9.200
   54    H    TRP   6           HN       TRP   6  23.721   6.996   4.579
   55    HA   TRP   6           HA       TRP   6  25.220   4.762   4.248
   56    HB2  TRP   6           HB2      TRP   6  22.906   5.899   2.943
   57    HB3  TRP   6           HB1      TRP   6  23.891   4.998   1.791
   58    HD1  TRP   6           HD1      TRP   6  22.599   2.799   1.591
   59    HE1  TRP   6           HE1      TRP   6  21.895   0.943   3.229
   60    HE3  TRP   6           HE3      TRP   6  23.794   5.039   6.017
   61    HZ2  TRP   6           HZ2      TRP   6  21.847   0.471   6.044
   62    HZ3  TRP   6           HZ3      TRP   6  23.411   3.866   8.163
   63    HH2  TRP   6           HH2      TRP   6  22.439   1.584   8.185
   64    H    GLU   7           HN       GLU   7  24.863   6.908   1.432
   65    HA   GLU   7           HA       GLU   7  26.938   5.953  -0.066
   66    HB2  GLU   7           HB2      GLU   7  26.000   8.809   0.203
   67    HB3  GLU   7           HB1      GLU   7  27.097   8.247  -1.053
   68    HG2  GLU   7           HG2      GLU   7  25.361   6.549  -1.709
   69    HG3  GLU   7           HG1      GLU   7  24.258   7.314  -0.565
   70    H    VAL   8           HN       VAL   8  27.245   7.544   2.964
   71    HA   VAL   8           HA       VAL   8  30.030   8.282   2.412
   72    HB   VAL   8           HB       VAL   8  28.476   8.766   4.961
   73   HG11  VAL   8          HG11      VAL   8  30.427   9.510   5.771
   74   HG12  VAL   8          HG12      VAL   8  30.589  10.615   4.406
   75   HG13  VAL   8          HG13      VAL   8  31.229   8.975   4.294
   76   HG21  VAL   8          HG21      VAL   8  27.575  10.626   4.027
   77   HG22  VAL   8          HG22      VAL   8  28.027   9.942   2.465
   78   HG23  VAL   8          HG23      VAL   8  29.106  11.070   3.279
   79    H    ILE   9           HN       ILE   9  28.119   5.992   4.285
   80    HA   ILE   9           HA       ILE   9  30.628   4.683   5.127
   81    HB   ILE   9           HB       ILE   9  29.707   5.296   7.144
   82   HG12  ILE   9          HG12      ILE   9  29.657   2.630   6.671
   83   HG13  ILE   9          HG11      ILE   9  29.237   3.346   8.214
   84   HG21  ILE   9          HG21      ILE   9  27.776   6.415   6.438
   85   HG22  ILE   9          HG22      ILE   9  27.208   5.202   7.573
   86   HG23  ILE   9          HG23      ILE   9  27.023   4.941   5.836
   87   HD11  ILE   9          HD11      ILE   9  26.909   3.172   7.806
   88   HD12  ILE   9          HD12      ILE   9  27.578   1.637   7.257
   89   HD13  ILE   9          HD13      ILE   9  27.143   2.874   6.087
   90    H    ALA  10           HN       ALA  10  27.278   4.166   4.095
   91    HA   ALA  10           HA       ALA  10  27.549   1.344   3.753
   92    HB1  ALA  10           HB1      ALA  10  25.602   3.259   2.448
   93    HB2  ALA  10           HB2      ALA  10  25.357   2.446   3.995
   94    HB3  ALA  10           HB3      ALA  10  25.445   1.504   2.508
   95    H    GLY  11           HN       GLY  11  27.105   3.844   1.234
   96    HA2  GLY  11           HA2      GLY  11  27.884   2.320  -0.945
   97    HA3  GLY  11           HA1      GLY  11  28.086   4.070  -0.845
   98    H    LEU  12           HN       LEU  12  29.696   3.332   1.717
   99    HA   LEU  12           HA       LEU  12  32.248   3.039   0.302
  100    HB2  LEU  12           HB2      LEU  12  31.788   5.031   1.835
  101    HB3  LEU  12           HB1      LEU  12  31.877   3.884   3.173
  102    HG   LEU  12           HG       LEU  12  34.129   3.182   1.896
  103   HD11  LEU  12          HD11      LEU  12  33.765   4.855   0.096
  104   HD12  LEU  12          HD12      LEU  12  35.245   5.175   0.998
  105   HD13  LEU  12          HD13      LEU  12  33.802   6.141   1.305
  106   HD21  LEU  12          HD21      LEU  12  34.078   3.842   4.223
  107   HD22  LEU  12          HD22      LEU  12  33.732   5.518   3.791
  108   HD23  LEU  12          HD23      LEU  12  35.309   4.820   3.422
  109    H    VAL  13           HN       VAL  13  30.153   1.551   2.653
  110    HA   VAL  13           HA       VAL  13  32.167  -0.576   3.097
  111    HB   VAL  13           HB       VAL  13  29.872   0.264   4.881
  112   HG11  VAL  13          HG11      VAL  13  31.545  -2.145   4.728
  113   HG12  VAL  13          HG12      VAL  13  30.029  -1.882   5.589
  114   HG13  VAL  13          HG13      VAL  13  31.555  -1.383   6.318
  115   HG21  VAL  13          HG21      VAL  13  31.495   1.222   6.300
  116   HG22  VAL  13          HG22      VAL  13  32.047   1.692   4.693
  117   HG23  VAL  13          HG23      VAL  13  32.816   0.344   5.529
  118    H    ALA  14           HN       ALA  14  28.629  -0.081   2.996
  119    HA   ALA  14           HA       ALA  14  27.761  -2.658   2.733
  120    HB1  ALA  14           HB1      ALA  14  26.774  -0.284   1.129
  121    HB2  ALA  14           HB2      ALA  14  26.245  -0.719   2.754
  122    HB3  ALA  14           HB3      ALA  14  25.886  -1.784   1.395
  123    H    LEU  15           HN       LEU  15  28.970  -0.580   0.101
  124    HA   LEU  15           HA       LEU  15  28.713  -2.538  -1.929
  125    HB2  LEU  15           HB2      LEU  15  29.009  -0.105  -2.373
  126    HB3  LEU  15           HB1      LEU  15  30.666  -0.221  -1.782
  127    HG   LEU  15           HG       LEU  15  31.166  -1.893  -3.550
  128   HD11  LEU  15          HD11      LEU  15  28.240  -1.536  -4.050
  129   HD12  LEU  15          HD12      LEU  15  29.229  -2.990  -4.170
  130   HD13  LEU  15          HD13      LEU  15  29.287  -1.777  -5.450
  131   HD21  LEU  15          HD21      LEU  15  31.780  -0.130  -4.809
  132   HD22  LEU  15          HD22      LEU  15  30.702   0.889  -3.855
  133   HD23  LEU  15          HD23      LEU  15  30.111   0.115  -5.327
  134    H    LEU  16           HN       LEU  16  31.154  -1.842   0.468
  135    HA   LEU  16           HA       LEU  16  32.997  -3.811  -0.678
  136    HB2  LEU  16           HB2      LEU  16  33.403  -2.209   1.845
  137    HB3  LEU  16           HB1      LEU  16  34.626  -2.960   0.819
  138    HG   LEU  16           HG       LEU  16  32.856  -0.607   0.104
  139   HD11  LEU  16          HD11      LEU  16  34.829   0.690   0.169
  140   HD12  LEU  16          HD12      LEU  16  35.870  -0.731   0.112
  141   HD13  LEU  16          HD13      LEU  16  34.974  -0.354   1.582
  142   HD21  LEU  16          HD21      LEU  16  33.050  -1.812  -1.914
  143   HD22  LEU  16          HD22      LEU  16  34.688  -2.353  -1.539
  144   HD23  LEU  16          HD23      LEU  16  34.394  -0.673  -1.991
  145    H    THR  17           HN       THR  17  30.306  -4.021   1.072
  146    HA   THR  17           HA       THR  17  31.321  -6.270   2.698
  147    HB   THR  17           HB       THR  17  29.469  -4.051   3.445
  148    HG1  THR  17           HG1      THR  17  30.840  -3.902   5.050
  149   HG21  THR  17          HG21      THR  17  28.793  -5.602   5.402
  150   HG22  THR  17          HG22      THR  17  29.290  -6.923   4.344
  151   HG23  THR  17          HG23      THR  17  27.985  -5.842   3.853
  152    H    PHE  18           HN       PHE  18  28.241  -4.897   1.526
  153    HA   PHE  18           HA       PHE  18  26.621  -7.063   1.513
  154    HB2  PHE  18           HB2      PHE  18  26.290  -4.651   0.516
  155    HB3  PHE  18           HB1      PHE  18  26.713  -5.440  -1.005
  156    HD1  PHE  18           HD1      PHE  18  24.465  -5.805   1.968
  157    HD2  PHE  18           HD2      PHE  18  25.076  -6.621  -2.205
  158    HE1  PHE  18           HE1      PHE  18  22.168  -6.728   1.812
  159    HE2  PHE  18           HE2      PHE  18  22.780  -7.545  -2.361
  160    HZ   PHE  18           HZ       PHE  18  21.325  -7.598  -0.353
  161    H    LEU  19           HN       LEU  19  28.967  -6.303  -1.064
  162    HA   LEU  19           HA       LEU  19  28.458  -8.712  -2.528
  163    HB2  LEU  19           HB2      LEU  19  30.576  -6.579  -2.624
  164    HB3  LEU  19           HB1      LEU  19  30.745  -8.045  -3.586
  165    HG   LEU  19           HG       LEU  19  29.625  -6.124  -4.793
  166   HD11  LEU  19          HD11      LEU  19  28.974  -8.855  -4.802
  167   HD12  LEU  19          HD12      LEU  19  28.574  -7.677  -6.048
  168   HD13  LEU  19          HD13      LEU  19  27.421  -8.023  -4.762
  169   HD21  LEU  19          HD21      LEU  19  28.387  -5.412  -2.671
  170   HD22  LEU  19          HD22      LEU  19  27.275  -6.741  -2.995
  171   HD23  LEU  19          HD23      LEU  19  27.436  -5.425  -4.156
  172    H    ALA  20           HN       ALA  20  31.145  -7.655  -0.429
  173    HA   ALA  20           HA       ALA  20  32.772  -9.855  -0.520
  174    HB1  ALA  20           HB1      ALA  20  32.478  -7.632   1.175
  175    HB2  ALA  20           HB2      ALA  20  33.823  -8.770   1.135
  176    HB3  ALA  20           HB3      ALA  20  32.472  -9.042   2.233
  177    H    PHE  21           HN       PHE  21  30.046  -9.428   1.752
  178    HA   PHE  21           HA       PHE  21  30.200 -12.188   2.600
  179    HB2  PHE  21           HB2      PHE  21  28.268  -9.948   3.218
  180    HB3  PHE  21           HB1      PHE  21  28.122 -11.570   3.894
  181    HD1  PHE  21           HD1      PHE  21  30.539  -8.737   3.529
  182    HD2  PHE  21           HD2      PHE  21  29.339 -12.172   5.811
  183    HE1  PHE  21           HE1      PHE  21  32.219  -8.172   5.262
  184    HE2  PHE  21           HE2      PHE  21  31.019 -11.607   7.546
  185    HZ   PHE  21           HZ       PHE  21  32.459  -9.606   7.271
  186    H    GLY  22           HN       GLY  22  28.139 -10.225   0.510
  187    HA2  GLY  22           HA2      GLY  22  26.038 -12.000   0.067
  188    HA3  GLY  22           HA1      GLY  22  26.612 -10.821  -1.107
  189    H    PHE  23           HN       PHE  23  29.136 -11.728  -1.668
  190    HA   PHE  23           HA       PHE  23  28.728 -13.663  -3.608
  191    HB2  PHE  23           HB2      PHE  23  31.013 -12.310  -2.432
  192    HB3  PHE  23           HB1      PHE  23  31.396 -13.978  -2.858
  193    HD1  PHE  23           HD2      PHE  23  30.300 -14.745  -5.204
  194    HD2  PHE  23           HD1      PHE  23  31.299 -10.712  -4.110
  195    HE1  PHE  23           HE2      PHE  23  30.408 -14.119  -7.601
  196    HE2  PHE  23           HE1      PHE  23  31.406 -10.088  -6.506
  197    HZ   PHE  23           HZ       PHE  23  30.960 -11.793  -8.252
  198    H    TRP  24           HN       TRP  24  28.939 -14.027  -0.235
  199    HA   TRP  24           HA       TRP  24  29.484 -16.911  -0.471
  200    HB2  TRP  24           HB2      TRP  24  30.999 -15.892   1.072
  201    HB3  TRP  24           HB1      TRP  24  29.690 -15.012   1.866
  202    HD1  TRP  24           HD1      TRP  24  30.329 -18.728   1.004
  203    HE1  TRP  24           HE1      TRP  24  29.699 -20.150   3.064
  204    HE3  TRP  24           HE3      TRP  24  28.858 -15.040   4.191
  205    HZ2  TRP  24           HZ2      TRP  24  28.703 -19.765   5.713
  206    HZ3  TRP  24           HZ3      TRP  24  28.069 -15.586   6.479
  207    HH2  TRP  24           HH2      TRP  24  27.990 -17.942   7.242
  208    H    LEU  25           HN       LEU  25  27.690 -14.964   1.883
  209    HA   LEU  25           HA       LEU  25  25.869 -16.483   2.944
  210    HB2  LEU  25           HB2      LEU  25  25.598 -13.783   1.769
  211    HB3  LEU  25           HB1      LEU  25  24.092 -14.600   2.189
  212    HG   LEU  25           HG       LEU  25  26.402 -14.534   4.125
  213   HD11  LEU  25          HD11      LEU  25  24.206 -12.454   3.869
  214   HD12  LEU  25          HD12      LEU  25  25.903 -12.193   3.464
  215   HD13  LEU  25          HD13      LEU  25  25.434 -12.515   5.133
  216   HD21  LEU  25          HD21      LEU  25  24.893 -15.389   5.603
  217   HD22  LEU  25          HD22      LEU  25  23.986 -15.839   4.160
  218   HD23  LEU  25          HD23      LEU  25  23.591 -14.351   5.022
  219    H    PHE  26           HN       PHE  26  25.231 -15.266  -0.357
  220    HA   PHE  26           HA       PHE  26  23.025 -17.079  -0.717
  221    HB2  PHE  26           HB2      PHE  26  24.463 -15.662  -2.946
  222    HB3  PHE  26           HB1      PHE  26  22.752 -16.070  -2.819
  223    HD1  PHE  26           HD1      PHE  26  21.767 -15.139  -0.382
  224    HD2  PHE  26           HD2      PHE  26  24.858 -13.367  -2.784
  225    HE1  PHE  26           HE1      PHE  26  21.305 -12.935   0.650
  226    HE2  PHE  26           HE2      PHE  26  24.394 -11.162  -1.751
  227    HZ   PHE  26           HZ       PHE  26  22.623 -10.948  -0.032
  228    H    LYS  27           HN       LYS  27  26.087 -16.771  -2.521
  229    HA   LYS  27           HA       LYS  27  25.986 -19.118  -3.934
  230    HB2  LYS  27           HB2      LYS  27  28.546 -18.095  -2.710
  231    HB3  LYS  27           HB1      LYS  27  28.335 -18.937  -4.244
  232    HG2  LYS  27           HG2      LYS  27  27.400 -16.135  -3.558
  233    HG3  LYS  27           HG1      LYS  27  28.627 -16.589  -4.739
  234    HD2  LYS  27           HD2      LYS  27  26.722 -17.973  -5.845
  235    HD3  LYS  27           HD1      LYS  27  25.643 -16.962  -4.883
  236    HE2  LYS  27           HE2      LYS  27  27.290 -15.063  -5.915
  237    HE3  LYS  27           HE1      LYS  27  27.318 -16.246  -7.223
  238    HZ1  LYS  27           HZ1      LYS  27  25.346 -15.494  -7.840
  239    HZ2  LYS  27           HZ2      LYS  27  25.258 -14.458  -6.496
  240    HZ3  LYS  27           HZ3      LYS  27  24.688 -16.055  -6.380
  241    H    TYR  28           HN       TYR  28  26.100 -18.883  -0.557
  242    HA   TYR  28           HA       TYR  28  27.125 -21.654  -0.323
  243    HB2  TYR  28           HB2      TYR  28  28.490 -20.766   1.224
  244    HB3  TYR  28           HB1      TYR  28  27.588 -19.256   1.275
  245    HD1  TYR  28           HD1      TYR  28  27.227 -22.845   2.298
  246    HD2  TYR  28           HD2      TYR  28  26.405 -18.731   3.216
  247    HE1  TYR  28           HE1      TYR  28  26.202 -23.528   4.453
  248    HE2  TYR  28           HE2      TYR  28  25.381 -19.411   5.366
  249    HH   TYR  28           HH       TYR  28  24.219 -21.682   6.210
  250    H    LEU  29           HN       LEU  29  24.740 -19.407   1.102
  251    HA   LEU  29           HA       LEU  29  23.229 -21.638   2.192
  252    HB2  LEU  29           HB2      LEU  29  23.587 -19.127   3.090
  253    HB3  LEU  29           HB1      LEU  29  22.083 -18.900   2.197
  254    HG   LEU  29           HG       LEU  29  22.575 -20.989   4.339
  255   HD11  LEU  29          HD11      LEU  29  22.324 -18.838   5.369
  256   HD12  LEU  29          HD12      LEU  29  20.758 -19.642   5.505
  257   HD13  LEU  29          HD13      LEU  29  21.009 -18.399   4.277
  258   HD21  LEU  29          HD21      LEU  29  21.015 -21.990   2.909
  259   HD22  LEU  29          HD22      LEU  29  20.311 -20.443   2.434
  260   HD23  LEU  29          HD23      LEU  29  19.967 -21.117   4.029
  261    H    GLN  30           HN       GLN  30  22.822 -19.164  -0.316
  262    HA   GLN  30           HA       GLN  30  20.209 -20.069  -1.084
  263    HB2  GLN  30           HB2      GLN  30  20.910 -17.760  -1.467
  264    HB3  GLN  30           HB1      GLN  30  22.198 -18.311  -2.533
  265    HG2  GLN  30           HG2      GLN  30  20.786 -18.715  -4.263
  266    HG3  GLN  30           HG1      GLN  30  19.513 -19.330  -3.211
  267   HE21  GLN  30          HE21      GLN  30  20.946 -16.170  -2.560
  268   HE22  GLN  30          HE22      GLN  30  19.597 -15.260  -3.042
  269    H    LYS  31           HN       LYS  31  23.361 -21.201  -1.641
  270    HA   LYS  31           HA       LYS  31  22.445 -22.805  -3.955
  271    HB2  LYS  31           HB2      LYS  31  25.046 -21.456  -3.376
  272    HB3  LYS  31           HB1      LYS  31  25.077 -22.986  -4.250
  273    HG2  LYS  31           HG2      LYS  31  24.952 -21.078  -5.810
  274    HG3  LYS  31           HG1      LYS  31  23.504 -22.078  -5.915
  275    HD2  LYS  31           HD2      LYS  31  22.159 -20.467  -4.993
  276    HD3  LYS  31           HD1      LYS  31  23.435 -19.849  -3.945
  277    HE2  LYS  31           HE2      LYS  31  24.516 -18.772  -5.874
  278    HE3  LYS  31           HE1      LYS  31  23.268 -19.412  -6.942
  279    HZ1  LYS  31           HZ1      LYS  31  21.666 -18.045  -6.037
  280    HZ2  LYS  31           HZ2      LYS  31  23.032 -17.033  -6.028
  281    HZ3  LYS  31           HZ3      LYS  31  22.525 -17.794  -4.596
  282    H    LYS  32           HN       LYS  32  21.594 -24.125  -2.058
  283    HA   LYS  32           HA       LYS  32  23.516 -26.243  -1.535
  284    HB2  LYS  32           HB2      LYS  32  23.084 -26.253   0.898
  285    HB3  LYS  32           HB1      LYS  32  23.879 -24.767   0.380
  286    HG2  LYS  32           HG2      LYS  32  22.207 -23.699   1.473
  287    HG3  LYS  32           HG1      LYS  32  21.205 -24.143   0.090
  288    HD2  LYS  32           HD2      LYS  32  20.562 -26.239   1.228
  289    HD3  LYS  32           HD1      LYS  32  21.553 -25.787   2.615
  290    HE2  LYS  32           HE2      LYS  32  19.957 -24.411   3.419
  291    HE3  LYS  32           HE1      LYS  32  19.730 -23.645   1.847
  292    HZ1  LYS  32           HZ1      LYS  32  17.748 -24.844   2.680
  293    HZ2  LYS  32           HZ2      LYS  32  18.621 -26.299   2.578
  294    HZ3  LYS  32           HZ3      LYS  32  18.291 -25.401   1.173
  Start of MODEL   38
    1    H1   LYS   1           HT1      LYS   1  25.163  17.329  -0.582
    2    H2   LYS   1           HT2      LYS   1  26.448  17.347   0.528
    3    H3   LYS   1           HT3      LYS   1  25.216  18.512   0.632
    4    HA   LYS   1           HA       LYS   1  25.330  16.190   2.040
    5    HB2  LYS   1           HB2      LYS   1  22.896  16.765   2.528
    6    HB3  LYS   1           HB1      LYS   1  24.049  18.077   2.770
    7    HG2  LYS   1           HG2      LYS   1  23.443  19.126   0.720
    8    HG3  LYS   1           HG1      LYS   1  22.575  17.697   0.159
    9    HD2  LYS   1           HD2      LYS   1  21.609  18.735   2.737
   10    HD3  LYS   1           HD1      LYS   1  21.398  19.856   1.391
   11    HE2  LYS   1           HE2      LYS   1  20.247  18.123   0.093
   12    HE3  LYS   1           HE1      LYS   1  20.504  16.958   1.393
   13    HZ1  LYS   1           HZ1      LYS   1  18.587  17.661   2.224
   14    HZ2  LYS   1           HZ2      LYS   1  18.500  18.967   1.139
   15    HZ3  LYS   1           HZ3      LYS   1  19.349  19.128   2.603
   16    H    LYS   2           HN       LYS   2  25.765  15.078  -0.366
   17    HA   LYS   2           HA       LYS   2  23.574  14.150  -1.839
   18    HB2  LYS   2           HB2      LYS   2  25.926  13.902  -2.561
   19    HB3  LYS   2           HB1      LYS   2  26.180  12.708  -1.287
   20    HG2  LYS   2           HG2      LYS   2  23.823  12.034  -2.823
   21    HG3  LYS   2           HG1      LYS   2  25.210  12.232  -3.894
   22    HD2  LYS   2           HD2      LYS   2  26.522  10.695  -2.441
   23    HD3  LYS   2           HD1      LYS   2  25.090  10.453  -1.438
   24    HE2  LYS   2           HE2      LYS   2  25.424   8.657  -3.166
   25    HE3  LYS   2           HE1      LYS   2  23.877   9.490  -3.303
   26    HZ1  LYS   2           HZ1      LYS   2  25.990  10.748  -4.785
   27    HZ2  LYS   2           HZ2      LYS   2  24.422  10.325  -5.279
   28    HZ3  LYS   2           HZ3      LYS   2  25.666   9.168  -5.306
   29    H    HIS   3           HN       HIS   3  21.926  12.903  -1.271
   30    HA   HIS   3           HA       HIS   3  20.585  11.589   0.078
   31    HB2  HIS   3           HB2      HIS   3  21.015   9.465  -0.534
   32    HB3  HIS   3           HB1      HIS   3  22.416  10.130  -1.372
   33    HD2  HIS   3           HD2      HIS   3  22.000   7.245   0.767
   34    HE1  HIS   3           HE1      HIS   3  25.480   9.004   2.380
   35    HE2  HIS   3           HE2      HIS   3  24.063   6.896   2.326
   36    H    THR   4           HN       THR   4  21.110   9.666   2.001
   37    HA   THR   4           HA       THR   4  21.594  11.304   4.294
   38    HB   THR   4           HB       THR   4  20.016   9.578   4.613
   39    HG1  THR   4           HG1      THR   4  20.880   9.223   6.468
   40   HG21  THR   4          HG21      THR   4  20.609   7.163   4.244
   41   HG22  THR   4          HG22      THR   4  22.110   7.695   3.495
   42   HG23  THR   4          HG23      THR   4  20.565   8.118   2.763
   43    H    ILE   5           HN       ILE   5  22.991   8.346   4.966
   44    HA   ILE   5           HA       ILE   5  25.729   9.434   4.651
   45    HB   ILE   5           HB       ILE   5  26.181   8.027   6.756
   46   HG12  ILE   5          HG12      ILE   5  23.399   8.496   7.597
   47   HG13  ILE   5          HG11      ILE   5  23.574   7.244   6.367
   48   HG21  ILE   5          HG21      ILE   5  24.482  10.532   6.795
   49   HG22  ILE   5          HG22      ILE   5  26.244  10.440   6.829
   50   HG23  ILE   5          HG23      ILE   5  25.305   9.888   8.217
   51   HD11  ILE   5          HD11      ILE   5  23.770   6.481   8.810
   52   HD12  ILE   5          HD12      ILE   5  25.324   7.317   8.823
   53   HD13  ILE   5          HD13      ILE   5  25.055   5.971   7.716
   54    H    TRP   6           HN       TRP   6  23.584   6.728   4.308
   55    HA   TRP   6           HA       TRP   6  25.158   4.519   4.188
   56    HB2  TRP   6           HB2      TRP   6  22.717   5.383   2.912
   57    HB3  TRP   6           HB1      TRP   6  23.670   4.390   1.811
   58    HD1  TRP   6           HD1      TRP   6  22.499   2.123   1.967
   59    HE1  TRP   6           HE1      TRP   6  21.992   0.459   3.862
   60    HE3  TRP   6           HE3      TRP   6  23.822   4.958   5.997
   61    HZ2  TRP   6           HZ2      TRP   6  22.132   0.344   6.711
   62    HZ3  TRP   6           HZ3      TRP   6  23.626   4.048   8.291
   63    HH2  TRP   6           HH2      TRP   6  22.782   1.745   8.656
   64    H    GLU   7           HN       GLU   7  24.577   6.348   1.175
   65    HA   GLU   7           HA       GLU   7  26.604   5.225  -0.307
   66    HB2  GLU   7           HB2      GLU   7  25.458   8.007  -0.403
   67    HB3  GLU   7           HB1      GLU   7  26.620   7.411  -1.583
   68    HG2  GLU   7           HG2      GLU   7  24.415   5.543  -1.092
   69    HG3  GLU   7           HG1      GLU   7  23.878   7.093  -1.738
   70    H    VAL   8           HN       VAL   8  27.024   7.117   2.482
   71    HA   VAL   8           HA       VAL   8  29.723   7.946   1.660
   72    HB   VAL   8           HB       VAL   8  28.290   8.665   4.224
   73   HG11  VAL   8          HG11      VAL   8  30.025  10.446   4.276
   74   HG12  VAL   8          HG12      VAL   8  30.770   9.725   2.850
   75   HG13  VAL   8          HG13      VAL   8  30.717   8.827   4.367
   76   HG21  VAL   8          HG21      VAL   8  28.711  10.776   2.248
   77   HG22  VAL   8          HG22      VAL   8  27.245  10.355   3.130
   78   HG23  VAL   8          HG23      VAL   8  27.648   9.510   1.637
   79    H    ILE   9           HN       ILE   9  28.025   5.854   3.929
   80    HA   ILE   9           HA       ILE   9  30.630   4.750   4.775
   81    HB   ILE   9           HB       ILE   9  29.777   5.547   6.754
   82   HG12  ILE   9          HG12      ILE   9  29.793   2.842   6.592
   83   HG13  ILE   9          HG11      ILE   9  29.418   3.721   8.059
   84   HG21  ILE   9          HG21      ILE   9  27.302   5.433   7.308
   85   HG22  ILE   9          HG22      ILE   9  27.050   4.970   5.623
   86   HG23  ILE   9          HG23      ILE   9  27.780   6.525   6.015
   87   HD11  ILE   9          HD11      ILE   9  27.774   1.870   7.387
   88   HD12  ILE   9          HD12      ILE   9  27.245   2.953   6.107
   89   HD13  ILE   9          HD13      ILE   9  27.081   3.438   7.788
   90    H    ALA  10           HN       ALA  10  27.264   3.966   3.992
   91    HA   ALA  10           HA       ALA  10  27.668   1.139   3.949
   92    HB1  ALA  10           HB1      ALA  10  25.493   1.051   2.848
   93    HB2  ALA  10           HB2      ALA  10  25.561   2.783   2.526
   94    HB3  ALA  10           HB3      ALA  10  25.435   2.199   4.186
   95    H    GLY  11           HN       GLY  11  26.978   3.326   1.202
   96    HA2  GLY  11           HA2      GLY  11  27.719   1.597  -0.835
   97    HA3  GLY  11           HA1      GLY  11  27.834   3.353  -0.943
   98    H    LEU  12           HN       LEU  12  29.606   2.973   1.596
   99    HA   LEU  12           HA       LEU  12  32.097   2.646   0.080
  100    HB2  LEU  12           HB2      LEU  12  31.613   4.781   1.395
  101    HB3  LEU  12           HB1      LEU  12  31.820   3.806   2.851
  102    HG   LEU  12           HG       LEU  12  34.031   3.081   1.414
  103   HD11  LEU  12          HD11      LEU  12  33.342   4.883  -0.269
  104   HD12  LEU  12          HD12      LEU  12  34.990   4.991   0.351
  105   HD13  LEU  12          HD13      LEU  12  33.737   6.060   0.983
  106   HD21  LEU  12          HD21      LEU  12  35.254   4.621   2.931
  107   HD22  LEU  12          HD22      LEU  12  33.980   3.746   3.781
  108   HD23  LEU  12          HD23      LEU  12  33.735   5.429   3.315
  109    H    VAL  13           HN       VAL  13  30.196   1.321   2.679
  110    HA   VAL  13           HA       VAL  13  32.379  -0.580   3.313
  111    HB   VAL  13           HB       VAL  13  30.001   0.273   4.975
  112   HG11  VAL  13          HG11      VAL  13  31.949  -1.991   5.205
  113   HG12  VAL  13          HG12      VAL  13  30.232  -1.947   5.605
  114   HG13  VAL  13          HG13      VAL  13  31.407  -1.187   6.678
  115   HG21  VAL  13          HG21      VAL  13  32.127   1.746   4.736
  116   HG22  VAL  13          HG22      VAL  13  32.936   0.475   5.654
  117   HG23  VAL  13          HG23      VAL  13  31.584   1.353   6.367
  118    H    ALA  14           HN       ALA  14  28.820  -0.428   3.035
  119    HA   ALA  14           HA       ALA  14  28.185  -3.083   3.075
  120    HB1  ALA  14           HB1      ALA  14  27.099  -0.855   1.358
  121    HB2  ALA  14           HB2      ALA  14  26.393  -1.563   2.810
  122    HB3  ALA  14           HB3      ALA  14  26.421  -2.481   1.304
  123    H    LEU  15           HN       LEU  15  29.327  -1.259   0.235
  124    HA   LEU  15           HA       LEU  15  29.350  -3.449  -1.551
  125    HB2  LEU  15           HB2      LEU  15  31.149  -1.012  -1.576
  126    HB3  LEU  15           HB1      LEU  15  30.776  -2.056  -2.950
  127    HG   LEU  15           HG       LEU  15  28.756  -0.422  -1.391
  128   HD11  LEU  15          HD11      LEU  15  30.540   0.599  -3.144
  129   HD12  LEU  15          HD12      LEU  15  28.889   1.206  -3.008
  130   HD13  LEU  15          HD13      LEU  15  29.303   0.054  -4.277
  131   HD21  LEU  15          HD21      LEU  15  27.492  -2.184  -2.220
  132   HD22  LEU  15          HD22      LEU  15  28.563  -2.439  -3.601
  133   HD23  LEU  15          HD23      LEU  15  27.437  -1.081  -3.597
  134    H    LEU  16           HN       LEU  16  31.569  -2.304   0.865
  135    HA   LEU  16           HA       LEU  16  33.600  -4.267   0.085
  136    HB2  LEU  16           HB2      LEU  16  33.767  -2.298   2.358
  137    HB3  LEU  16           HB1      LEU  16  35.089  -3.098   1.508
  138    HG   LEU  16           HG       LEU  16  33.207  -1.013   0.372
  139   HD11  LEU  16          HD11      LEU  16  35.063   0.437   0.354
  140   HD12  LEU  16          HD12      LEU  16  36.215  -0.888   0.523
  141   HD13  LEU  16          HD13      LEU  16  35.225  -0.399   1.899
  142   HD21  LEU  16          HD21      LEU  16  34.863  -1.261  -1.614
  143   HD22  LEU  16          HD22      LEU  16  33.598  -2.477  -1.431
  144   HD23  LEU  16          HD23      LEU  16  35.245  -2.830  -0.904
  145    H    THR  17           HN       THR  17  30.839  -4.447   1.674
  146    HA   THR  17           HA       THR  17  31.832  -6.519   3.499
  147    HB   THR  17           HB       THR  17  30.066  -4.200   4.289
  148    HG1  THR  17           HG1      THR  17  32.304  -5.263   5.625
  149   HG21  THR  17          HG21      THR  17  30.037  -5.512   6.523
  150   HG22  THR  17          HG22      THR  17  30.450  -6.916   5.537
  151   HG23  THR  17          HG23      THR  17  28.946  -6.040   5.242
  152    H    PHE  18           HN       PHE  18  28.676  -4.958   2.997
  153    HA   PHE  18           HA       PHE  18  27.079  -7.178   3.109
  154    HB2  PHE  18           HB2      PHE  18  26.490  -4.658   2.740
  155    HB3  PHE  18           HB1      PHE  18  26.512  -5.089   1.031
  156    HD1  PHE  18           HD2      PHE  18  25.197  -6.410   4.290
  157    HD2  PHE  18           HD1      PHE  18  24.522  -5.870   0.081
  158    HE1  PHE  18           HE2      PHE  18  22.940  -7.411   4.523
  159    HE2  PHE  18           HE1      PHE  18  22.266  -6.870   0.315
  160    HZ   PHE  18           HZ       PHE  18  21.474  -7.641   2.535
  161    H    LEU  19           HN       LEU  19  28.650  -5.866   0.193
  162    HA   LEU  19           HA       LEU  19  27.729  -7.989  -1.505
  163    HB2  LEU  19           HB2      LEU  19  29.709  -5.747  -1.779
  164    HB3  LEU  19           HB1      LEU  19  29.639  -7.012  -3.001
  165    HG   LEU  19           HG       LEU  19  28.195  -4.989  -3.491
  166   HD11  LEU  19          HD11      LEU  19  26.909  -6.382  -4.710
  167   HD12  LEU  19          HD12      LEU  19  26.116  -7.002  -3.264
  168   HD13  LEU  19          HD13      LEU  19  27.621  -7.728  -3.822
  169   HD21  LEU  19          HD21      LEU  19  27.555  -4.791  -1.008
  170   HD22  LEU  19          HD22      LEU  19  26.394  -6.078  -1.325
  171   HD23  LEU  19          HD23      LEU  19  26.267  -4.545  -2.185
  172    H    ALA  20           HN       ALA  20  30.900  -7.176  -0.088
  173    HA   ALA  20           HA       ALA  20  32.459  -9.203  -1.039
  174    HB1  ALA  20           HB1      ALA  20  33.307  -9.166   1.537
  175    HB2  ALA  20           HB2      ALA  20  32.392  -7.658   1.481
  176    HB3  ALA  20           HB3      ALA  20  33.722  -7.925   0.354
  177    H    PHE  21           HN       PHE  21  30.460  -9.424   1.918
  178    HA   PHE  21           HA       PHE  21  30.871 -12.287   2.074
  179    HB2  PHE  21           HB2      PHE  21  29.203 -10.353   3.691
  180    HB3  PHE  21           HB1      PHE  21  29.264 -12.087   4.011
  181    HD1  PHE  21           HD2      PHE  21  31.547  -9.162   3.460
  182    HD2  PHE  21           HD1      PHE  21  30.910 -12.915   5.452
  183    HE1  PHE  21           HE2      PHE  21  33.662  -8.853   4.718
  184    HE2  PHE  21           HE1      PHE  21  33.025 -12.604   6.709
  185    HZ   PHE  21           HZ       PHE  21  34.400 -10.574   6.342
  186    H    GLY  22           HN       GLY  22  28.292 -10.067   1.128
  187    HA2  GLY  22           HA2      GLY  22  26.148 -11.834   0.935
  188    HA3  GLY  22           HA1      GLY  22  26.365 -10.415  -0.083
  189    H    PHE  23           HN       PHE  23  28.630 -11.057  -1.493
  190    HA   PHE  23           HA       PHE  23  27.678 -12.585  -3.605
  191    HB2  PHE  23           HB2      PHE  23  30.204 -11.361  -2.857
  192    HB3  PHE  23           HB1      PHE  23  30.450 -12.886  -3.706
  193    HD1  PHE  23           HD2      PHE  23  28.729 -13.236  -5.760
  194    HD2  PHE  23           HD1      PHE  23  30.008  -9.449  -4.182
  195    HE1  PHE  23           HE2      PHE  23  28.152 -12.144  -7.911
  196    HE2  PHE  23           HE1      PHE  23  29.431  -8.358  -6.331
  197    HZ   PHE  23           HZ       PHE  23  28.501  -9.707  -8.197
  198    H    TRP  24           HN       TRP  24  28.847 -13.599  -0.575
  199    HA   TRP  24           HA       TRP  24  29.294 -16.342  -1.548
  200    HB2  TRP  24           HB2      TRP  24  31.185 -15.567  -0.307
  201    HB3  TRP  24           HB1      TRP  24  30.157 -14.942   0.984
  202    HD1  TRP  24           HD1      TRP  24  30.526 -18.364  -0.781
  203    HE1  TRP  24           HE1      TRP  24  30.498 -20.208   1.026
  204    HE3  TRP  24           HE3      TRP  24  30.004 -15.487   3.387
  205    HZ2  TRP  24           HZ2      TRP  24  30.281 -20.423   3.865
  206    HZ3  TRP  24           HZ3      TRP  24  29.888 -16.531   5.637
  207    HH2  TRP  24           HH2      TRP  24  30.025 -18.993   5.879
  208    H    LEU  25           HN       LEU  25  28.248 -15.011   1.563
  209    HA   LEU  25           HA       LEU  25  26.795 -16.810   2.750
  210    HB2  LEU  25           HB2      LEU  25  26.206 -13.949   2.280
  211    HB3  LEU  25           HB1      LEU  25  24.885 -14.920   2.929
  212    HG   LEU  25           HG       LEU  25  27.651 -15.108   4.109
  213   HD11  LEU  25          HD11      LEU  25  27.017 -13.380   5.738
  214   HD12  LEU  25          HD12      LEU  25  25.485 -13.133   4.897
  215   HD13  LEU  25          HD13      LEU  25  27.005 -12.713   4.106
  216   HD21  LEU  25          HD21      LEU  25  26.620 -16.306   5.754
  217   HD22  LEU  25          HD22      LEU  25  25.344 -16.524   4.557
  218   HD23  LEU  25          HD23      LEU  25  25.208 -15.251   5.769
  219    H    PHE  26           HN       PHE  26  25.241 -14.990   0.093
  220    HA   PHE  26           HA       PHE  26  23.021 -16.816  -0.008
  221    HB2  PHE  26           HB2      PHE  26  23.769 -14.905  -2.207
  222    HB3  PHE  26           HB1      PHE  26  22.164 -15.425  -1.695
  223    HD1  PHE  26           HD2      PHE  26  21.924 -15.053   1.063
  224    HD2  PHE  26           HD1      PHE  26  24.194 -12.669  -1.697
  225    HE1  PHE  26           HE2      PHE  26  21.782 -13.125   2.611
  226    HE2  PHE  26           HE1      PHE  26  24.050 -10.740  -0.148
  227    HZ   PHE  26           HZ       PHE  26  22.850 -10.970   2.008
  228    H    LYS  27           HN       LYS  27  25.440 -15.983  -2.494
  229    HA   LYS  27           HA       LYS  27  24.931 -18.003  -4.278
  230    HB2  LYS  27           HB2      LYS  27  27.740 -17.106  -3.634
  231    HB3  LYS  27           HB1      LYS  27  27.095 -17.632  -5.188
  232    HG2  LYS  27           HG2      LYS  27  26.412 -15.082  -3.697
  233    HG3  LYS  27           HG1      LYS  27  27.244 -15.223  -5.245
  234    HD2  LYS  27           HD2      LYS  27  25.096 -16.452  -6.036
  235    HD3  LYS  27           HD1      LYS  27  24.344 -15.730  -4.613
  236    HE2  LYS  27           HE2      LYS  27  25.634 -13.564  -5.639
  237    HE3  LYS  27           HE1      LYS  27  25.256 -14.445  -7.120
  238    HZ1  LYS  27           HZ1      LYS  27  23.393 -13.132  -6.725
  239    HZ2  LYS  27           HZ2      LYS  27  23.399 -13.439  -5.054
  240    HZ3  LYS  27           HZ3      LYS  27  22.936 -14.659  -6.141
  241    H    TYR  28           HN       TYR  28  26.001 -18.445  -1.096
  242    HA   TYR  28           HA       TYR  28  27.038 -21.148  -1.742
  243    HB2  TYR  28           HB2      TYR  28  28.794 -20.518  -0.493
  244    HB3  TYR  28           HB1      TYR  28  27.955 -19.096   0.119
  245    HD1  TYR  28           HD1      TYR  28  27.884 -22.831   0.443
  246    HD2  TYR  28           HD2      TYR  28  27.377 -19.033   2.378
  247    HE1  TYR  28           HE1      TYR  28  27.519 -23.984   2.611
  248    HE2  TYR  28           HE2      TYR  28  27.011 -20.182   4.544
  249    HH   TYR  28           HH       TYR  28  26.091 -22.858   5.070
  250    H    LEU  29           HN       LEU  29  25.175 -19.366   0.732
  251    HA   LEU  29           HA       LEU  29  24.027 -21.848   1.716
  252    HB2  LEU  29           HB2      LEU  29  24.637 -19.548   2.974
  253    HB3  LEU  29           HB1      LEU  29  22.940 -19.236   2.608
  254    HG   LEU  29           HG       LEU  29  24.024 -21.676   4.047
  255   HD11  LEU  29          HD11      LEU  29  22.632 -20.693   5.932
  256   HD12  LEU  29          HD12      LEU  29  22.505 -19.224   4.965
  257   HD13  LEU  29          HD13      LEU  29  24.084 -19.781   5.518
  258   HD21  LEU  29          HD21      LEU  29  21.438 -21.887   4.464
  259   HD22  LEU  29          HD22      LEU  29  22.116 -22.463   2.942
  260   HD23  LEU  29          HD23      LEU  29  21.310 -20.896   3.012
  261    H    GLN  30           HN       GLN  30  22.933 -18.950  -0.011
  262    HA   GLN  30           HA       GLN  30  20.205 -19.826  -0.185
  263    HB2  GLN  30           HB2      GLN  30  20.776 -17.452  -0.259
  264    HB3  GLN  30           HB1      GLN  30  21.706 -17.705  -1.733
  265    HG2  GLN  30           HG2      GLN  30  19.857 -17.831  -3.045
  266    HG3  GLN  30           HG1      GLN  30  18.934 -18.715  -1.829
  267   HE21  GLN  30          HE21      GLN  30  20.506 -15.674  -0.966
  268   HE22  GLN  30          HE22      GLN  30  19.078 -14.764  -0.848
  269    H    LYS  31           HN       LYS  31  23.062 -20.647  -1.825
  270    HA   LYS  31           HA       LYS  31  21.516 -21.804  -4.070
  271    HB2  LYS  31           HB2      LYS  31  24.181 -20.454  -3.977
  272    HB3  LYS  31           HB1      LYS  31  23.952 -21.776  -5.123
  273    HG2  LYS  31           HG2      LYS  31  23.395 -19.605  -6.154
  274    HG3  LYS  31           HG1      LYS  31  21.973 -20.641  -6.053
  275    HD2  LYS  31           HD2      LYS  31  20.955 -19.321  -4.479
  276    HD3  LYS  31           HD1      LYS  31  22.480 -18.860  -3.725
  277    HE2  LYS  31           HE2      LYS  31  22.974 -17.360  -5.610
  278    HE3  LYS  31           HE1      LYS  31  21.471 -17.838  -6.397
  279    HZ1  LYS  31           HZ1      LYS  31  20.218 -16.915  -4.606
  280    HZ2  LYS  31           HZ2      LYS  31  21.316 -15.733  -5.137
  281    HZ3  LYS  31           HZ3      LYS  31  21.619 -16.594  -3.706
  282    H    LYS  32           HN       LYS  32  21.237 -23.523  -2.327
  283    HA   LYS  32           HA       LYS  32  23.223 -25.592  -2.814
  284    HB2  LYS  32           HB2      LYS  32  23.499 -26.113  -0.415
  285    HB3  LYS  32           HB1      LYS  32  24.118 -24.510  -0.810
  286    HG2  LYS  32           HG2      LYS  32  22.827 -23.778   0.899
  287    HG3  LYS  32           HG1      LYS  32  21.472 -23.993  -0.211
  288    HD2  LYS  32           HD2      LYS  32  21.183 -26.312   0.599
  289    HD3  LYS  32           HD1      LYS  32  22.521 -26.078   1.725
  290    HE2  LYS  32           HE2      LYS  32  21.191 -25.015   3.203
  291    HE3  LYS  32           HE1      LYS  32  20.572 -23.935   1.955
  292    HZ1  LYS  32           HZ1      LYS  32  19.658 -26.735   2.124
  293    HZ2  LYS  32           HZ2      LYS  32  18.889 -25.405   1.399
  294    HZ3  LYS  32           HZ3      LYS  32  18.952 -25.535   3.092
  Start of MODEL   39
    1    H1   LYS   1           HT1      LYS   1  24.293  17.860  -0.203
    2    H2   LYS   1           HT2      LYS   1  24.627  16.453  -1.095
    3    H3   LYS   1           HT3      LYS   1  24.079  16.335   0.508
    4    HA   LYS   1           HA       LYS   1  21.932  16.692  -0.021
    5    HB2  LYS   1           HB2      LYS   1  21.403  18.055  -2.174
    6    HB3  LYS   1           HB1      LYS   1  22.046  18.920  -0.776
    7    HG2  LYS   1           HG2      LYS   1  24.263  18.940  -1.707
    8    HG3  LYS   1           HG1      LYS   1  23.792  17.837  -3.000
    9    HD2  LYS   1           HD2      LYS   1  22.188  19.560  -3.833
   10    HD3  LYS   1           HD1      LYS   1  22.791  20.670  -2.604
   11    HE2  LYS   1           HE2      LYS   1  25.141  20.056  -3.641
   12    HE3  LYS   1           HE1      LYS   1  24.173  19.622  -5.049
   13    HZ1  LYS   1           HZ1      LYS   1  24.453  21.809  -5.480
   14    HZ2  LYS   1           HZ2      LYS   1  24.640  22.236  -3.845
   15    HZ3  LYS   1           HZ3      LYS   1  23.090  21.951  -4.479
   16    H    LYS   2           HN       LYS   2  23.834  14.633  -0.919
   17    HA   LYS   2           HA       LYS   2  22.696  13.794  -3.495
   18    HB2  LYS   2           HB2      LYS   2  24.463  11.927  -3.189
   19    HB3  LYS   2           HB1      LYS   2  25.032  13.557  -3.551
   20    HG2  LYS   2           HG2      LYS   2  25.992  13.811  -1.505
   21    HG3  LYS   2           HG1      LYS   2  24.664  12.999  -0.676
   22    HD2  LYS   2           HD2      LYS   2  25.520  10.814  -1.409
   23    HD3  LYS   2           HD1      LYS   2  26.836  11.611  -2.275
   24    HE2  LYS   2           HE2      LYS   2  27.828  11.004  -0.226
   25    HE3  LYS   2           HE1      LYS   2  27.394  12.696   0.019
   26    HZ1  LYS   2           HZ1      LYS   2  25.148  11.427   0.760
   27    HZ2  LYS   2           HZ2      LYS   2  26.369  11.923   1.832
   28    HZ3  LYS   2           HZ3      LYS   2  26.329  10.321   1.267
   29    H    HIS   3           HN       HIS   3  22.950  12.826  -0.114
   30    HA   HIS   3           HA       HIS   3  20.535  11.313  -0.230
   31    HB2  HIS   3           HB2      HIS   3  22.140   9.742  -1.363
   32    HB3  HIS   3           HB1      HIS   3  23.060   9.689   0.141
   33    HD2  HIS   3           HD2      HIS   3  22.181   6.886   0.298
   34    HE1  HIS   3           HE1      HIS   3  18.253   7.915   1.447
   35    HE2  HIS   3           HE2      HIS   3  19.918   6.008   1.259
   36    H    THR   4           HN       THR   4  22.277   9.543   1.826
   37    HA   THR   4           HA       THR   4  21.938  11.440   4.078
   38    HB   THR   4           HB       THR   4  20.226   9.758   4.259
   39    HG1  THR   4           HG1      THR   4  20.791   9.792   6.266
   40   HG21  THR   4          HG21      THR   4  20.517   7.735   3.332
   41   HG22  THR   4          HG22      THR   4  21.718   7.350   4.560
   42   HG23  THR   4          HG23      THR   4  22.218   8.097   3.041
   43    H    ILE   5           HN       ILE   5  23.038   8.495   5.126
   44    HA   ILE   5           HA       ILE   5  25.842   9.428   5.117
   45    HB   ILE   5           HB       ILE   5  25.982   7.835   7.142
   46   HG12  ILE   5          HG12      ILE   5  23.136   8.391   7.672
   47   HG13  ILE   5          HG11      ILE   5  23.410   7.215   6.386
   48   HG21  ILE   5          HG21      ILE   5  26.200  10.093   7.667
   49   HG22  ILE   5          HG22      ILE   5  24.734   9.679   8.555
   50   HG23  ILE   5          HG23      ILE   5  24.619  10.506   7.001
   51   HD11  ILE   5          HD11      ILE   5  23.269   6.295   8.783
   52   HD12  ILE   5          HD12      ILE   5  24.850   7.034   9.032
   53   HD13  ILE   5          HD13      ILE   5  24.645   5.780   7.811
   54    H    TRP   6           HN       TRP   6  23.669   6.897   4.238
   55    HA   TRP   6           HA       TRP   6  25.181   4.621   4.151
   56    HB2  TRP   6           HB2      TRP   6  22.896   5.646   2.730
   57    HB3  TRP   6           HB1      TRP   6  23.935   4.751   1.623
   58    HD1  TRP   6           HD1      TRP   6  22.815   2.460   1.449
   59    HE1  TRP   6           HE1      TRP   6  22.091   0.644   3.122
   60    HE3  TRP   6           HE3      TRP   6  23.593   4.952   5.828
   61    HZ2  TRP   6           HZ2      TRP   6  21.873   0.296   5.948
   62    HZ3  TRP   6           HZ3      TRP   6  23.119   3.858   8.001
   63    HH2  TRP   6           HH2      TRP   6  22.259   1.533   8.067
   64    H    GLU   7           HN       GLU   7  25.086   7.063   1.548
   65    HA   GLU   7           HA       GLU   7  27.115   5.941  -0.026
   66    HB2  GLU   7           HB2      GLU   7  25.589   8.385   0.062
   67    HB3  GLU   7           HB1      GLU   7  27.269   8.721  -0.359
   68    HG2  GLU   7           HG2      GLU   7  25.585   6.586  -1.691
   69    HG3  GLU   7           HG1      GLU   7  25.812   8.207  -2.344
   70    H    VAL   8           HN       VAL   8  27.374   7.184   3.056
   71    HA   VAL   8           HA       VAL   8  30.175   8.024   2.675
   72    HB   VAL   8           HB       VAL   8  28.554   8.417   5.185
   73   HG11  VAL   8          HG11      VAL   8  30.812  10.069   4.045
   74   HG12  VAL   8          HG12      VAL   8  31.109   8.667   5.072
   75   HG13  VAL   8          HG13      VAL   8  30.208  10.045   5.701
   76   HG21  VAL   8          HG21      VAL   8  27.320   9.439   3.303
   77   HG22  VAL   8          HG22      VAL   8  28.790  10.261   2.784
   78   HG23  VAL   8          HG23      VAL   8  28.042  10.683   4.323
   79    H    ILE   9           HN       ILE   9  28.086   5.827   4.491
   80    HA   ILE   9           HA       ILE   9  30.489   4.447   5.497
   81    HB   ILE   9           HB       ILE   9  29.395   5.053   7.424
   82   HG12  ILE   9          HG12      ILE   9  29.284   2.386   6.915
   83   HG13  ILE   9          HG11      ILE   9  28.766   3.111   8.422
   84   HG21  ILE   9          HG21      ILE   9  27.578   6.248   6.529
   85   HG22  ILE   9          HG22      ILE   9  26.866   5.059   7.609
   86   HG23  ILE   9          HG23      ILE   9  26.834   4.798   5.861
   87   HD11  ILE   9          HD11      ILE   9  27.121   1.481   7.322
   88   HD12  ILE   9          HD12      ILE   9  26.841   2.735   6.123
   89   HD13  ILE   9          HD13      ILE   9  26.473   3.043   7.816
   90    H    ALA  10           HN       ALA  10  27.222   3.966   4.192
   91    HA   ALA  10           HA       ALA  10  27.548   1.149   3.803
   92    HB1  ALA  10           HB1      ALA  10  25.486   1.274   2.543
   93    HB2  ALA  10           HB2      ALA  10  25.637   3.025   2.394
   94    HB3  ALA  10           HB3      ALA  10  25.337   2.295   3.973
   95    H    GLY  11           HN       GLY  11  27.162   3.699   1.327
   96    HA2  GLY  11           HA2      GLY  11  28.068   2.249  -0.850
   97    HA3  GLY  11           HA1      GLY  11  28.234   3.998  -0.698
   98    H    LEU  12           HN       LEU  12  29.753   3.254   1.906
   99    HA   LEU  12           HA       LEU  12  32.367   3.022   0.596
  100    HB2  LEU  12           HB2      LEU  12  31.804   4.977   2.149
  101    HB3  LEU  12           HB1      LEU  12  31.865   3.804   3.464
  102    HG   LEU  12           HG       LEU  12  34.175   3.166   2.275
  103   HD11  LEU  12          HD11      LEU  12  34.156   6.143   1.859
  104   HD12  LEU  12          HD12      LEU  12  33.571   5.082   0.577
  105   HD13  LEU  12          HD13      LEU  12  35.230   4.931   1.161
  106   HD21  LEU  12          HD21      LEU  12  33.995   3.820   4.605
  107   HD22  LEU  12          HD22      LEU  12  33.681   5.496   4.154
  108   HD23  LEU  12          HD23      LEU  12  35.270   4.787   3.864
  109    H    VAL  13           HN       VAL  13  30.199   1.456   2.829
  110    HA   VAL  13           HA       VAL  13  32.218  -0.664   3.272
  111    HB   VAL  13           HB       VAL  13  29.905   0.080   5.075
  112   HG11  VAL  13          HG11      VAL  13  30.405  -2.274   5.248
  113   HG12  VAL  13          HG12      VAL  13  31.132  -1.478   6.643
  114   HG13  VAL  13          HG13      VAL  13  32.138  -1.955   5.277
  115   HG21  VAL  13          HG21      VAL  13  31.301   1.523   6.116
  116   HG22  VAL  13          HG22      VAL  13  32.406   1.333   4.755
  117   HG23  VAL  13          HG23      VAL  13  32.581   0.312   6.183
  118    H    ALA  14           HN       ALA  14  28.673  -0.184   3.213
  119    HA   ALA  14           HA       ALA  14  27.837  -2.766   2.884
  120    HB1  ALA  14           HB1      ALA  14  26.268  -0.894   3.001
  121    HB2  ALA  14           HB2      ALA  14  25.939  -1.864   1.565
  122    HB3  ALA  14           HB3      ALA  14  26.795  -0.329   1.416
  123    H    LEU  15           HN       LEU  15  29.150  -0.620   0.380
  124    HA   LEU  15           HA       LEU  15  28.815  -2.494  -1.744
  125    HB2  LEU  15           HB2      LEU  15  29.105  -0.044  -2.104
  126    HB3  LEU  15           HB1      LEU  15  30.768  -0.184  -1.541
  127    HG   LEU  15           HG       LEU  15  31.237  -1.798  -3.372
  128   HD11  LEU  15          HD11      LEU  15  29.288  -2.860  -4.010
  129   HD12  LEU  15          HD12      LEU  15  29.334  -1.599  -5.242
  130   HD13  LEU  15          HD13      LEU  15  28.307  -1.407  -3.821
  131   HD21  LEU  15          HD21      LEU  15  31.022  -0.132  -5.251
  132   HD22  LEU  15          HD22      LEU  15  31.739   0.534  -3.784
  133   HD23  LEU  15          HD23      LEU  15  30.053   0.874  -4.175
  134    H    LEU  16           HN       LEU  16  31.299  -1.846   0.631
  135    HA   LEU  16           HA       LEU  16  33.138  -3.764  -0.590
  136    HB2  LEU  16           HB2      LEU  16  33.517  -2.302   2.022
  137    HB3  LEU  16           HB1      LEU  16  34.752  -2.995   0.970
  138    HG   LEU  16           HG       LEU  16  32.984  -0.612   0.355
  139   HD11  LEU  16          HD11      LEU  16  35.055  -0.405   1.887
  140   HD12  LEU  16          HD12      LEU  16  34.959   0.686   0.504
  141   HD13  LEU  16          HD13      LEU  16  35.999  -0.737   0.434
  142   HD21  LEU  16          HD21      LEU  16  34.851  -2.263  -1.343
  143   HD22  LEU  16          HD22      LEU  16  34.568  -0.562  -1.709
  144   HD23  LEU  16          HD23      LEU  16  33.222  -1.701  -1.722
  145    H    THR  17           HN       THR  17  30.450  -3.994   1.215
  146    HA   THR  17           HA       THR  17  31.436  -6.348   2.706
  147    HB   THR  17           HB       THR  17  29.578  -4.159   3.520
  148    HG1  THR  17           HG1      THR  17  30.897  -5.414   5.460
  149   HG21  THR  17          HG21      THR  17  28.071  -5.957   3.807
  150   HG22  THR  17          HG22      THR  17  28.842  -5.790   5.382
  151   HG23  THR  17          HG23      THR  17  29.356  -7.068   4.283
  152    H    PHE  18           HN       PHE  18  28.350  -4.939   1.594
  153    HA   PHE  18           HA       PHE  18  26.822  -7.196   1.423
  154    HB2  PHE  18           HB2      PHE  18  26.280  -4.722   0.803
  155    HB3  PHE  18           HB1      PHE  18  26.736  -5.212  -0.830
  156    HD1  PHE  18           HD2      PHE  18  24.392  -5.831   1.969
  157    HD2  PHE  18           HD1      PHE  18  25.366  -6.721  -2.119
  158    HE1  PHE  18           HE2      PHE  18  22.176  -6.903   1.674
  159    HE2  PHE  18           HE1      PHE  18  23.151  -7.793  -2.414
  160    HZ   PHE  18           HZ       PHE  18  21.554  -7.885  -0.517
  161    H    LEU  19           HN       LEU  19  29.210  -6.068  -0.938
  162    HA   LEU  19           HA       LEU  19  28.666  -8.184  -2.812
  163    HB2  LEU  19           HB2      LEU  19  30.800  -6.073  -2.565
  164    HB3  LEU  19           HB1      LEU  19  30.919  -7.341  -3.782
  165    HG   LEU  19           HG       LEU  19  29.814  -5.229  -4.605
  166   HD11  LEU  19          HD11      LEU  19  27.565  -7.087  -4.791
  167   HD12  LEU  19          HD12      LEU  19  29.108  -7.884  -5.090
  168   HD13  LEU  19          HD13      LEU  19  28.632  -6.492  -6.061
  169   HD21  LEU  19          HD21      LEU  19  27.478  -6.075  -2.887
  170   HD22  LEU  19          HD22      LEU  19  27.692  -4.565  -3.773
  171   HD23  LEU  19          HD23      LEU  19  28.657  -4.887  -2.333
  172    H    ALA  20           HN       ALA  20  30.506  -7.922   0.059
  173    HA   ALA  20           HA       ALA  20  32.298 -10.120  -0.669
  174    HB1  ALA  20           HB1      ALA  20  33.667  -9.163   0.825
  175    HB2  ALA  20           HB2      ALA  20  32.471  -9.398   2.100
  176    HB3  ALA  20           HB3      ALA  20  32.445  -7.928   1.127
  177    H    PHE  21           HN       PHE  21  29.777  -9.378   1.725
  178    HA   PHE  21           HA       PHE  21  29.710 -12.104   2.688
  179    HB2  PHE  21           HB2      PHE  21  28.056  -9.648   3.278
  180    HB3  PHE  21           HB1      PHE  21  27.729 -11.220   4.007
  181    HD1  PHE  21           HD2      PHE  21  30.585  -8.862   3.403
  182    HD2  PHE  21           HD1      PHE  21  28.799 -11.771   6.011
  183    HE1  PHE  21           HE2      PHE  21  32.372  -8.460   5.073
  184    HE2  PHE  21           HE1      PHE  21  30.587 -11.370   7.682
  185    HZ   PHE  21           HZ       PHE  21  32.372  -9.715   7.210
  186    H    GLY  22           HN       GLY  22  27.769 -10.024   0.596
  187    HA2  GLY  22           HA2      GLY  22  25.560 -11.769   0.281
  188    HA3  GLY  22           HA1      GLY  22  26.022 -10.486  -0.833
  189    H    PHE  23           HN       PHE  23  28.451 -11.250  -1.757
  190    HA   PHE  23           HA       PHE  23  27.878 -13.117  -3.729
  191    HB2  PHE  23           HB2      PHE  23  29.696 -11.697  -4.160
  192    HB3  PHE  23           HB1      PHE  23  30.438 -12.034  -2.595
  193    HD1  PHE  23           HD1      PHE  23  29.551 -13.596  -5.862
  194    HD2  PHE  23           HD2      PHE  23  31.973 -13.793  -2.322
  195    HE1  PHE  23           HE1      PHE  23  30.865 -15.444  -6.864
  196    HE2  PHE  23           HE2      PHE  23  33.286 -15.639  -3.323
  197    HZ   PHE  23           HZ       PHE  23  32.732 -16.470  -5.596
  198    H    TRP  24           HN       TRP  24  28.708 -13.545  -0.438
  199    HA   TRP  24           HA       TRP  24  29.492 -16.343  -0.844
  200    HB2  TRP  24           HB2      TRP  24  30.953 -15.145   0.640
  201    HB3  TRP  24           HB1      TRP  24  29.586 -14.532   1.574
  202    HD1  TRP  24           HD1      TRP  24  30.795 -18.036   0.468
  203    HE1  TRP  24           HE1      TRP  24  30.556 -19.639   2.476
  204    HE3  TRP  24           HE3      TRP  24  28.892 -14.820   3.926
  205    HZ2  TRP  24           HZ2      TRP  24  29.671 -19.559   5.191
  206    HZ3  TRP  24           HZ3      TRP  24  28.357 -15.601   6.221
  207    HH2  TRP  24           HH2      TRP  24  28.744 -17.966   6.855
  208    H    LEU  25           HN       LEU  25  27.669 -14.787   1.746
  209    HA   LEU  25           HA       LEU  25  26.137 -16.577   2.834
  210    HB2  LEU  25           HB2      LEU  25  25.465 -13.861   1.886
  211    HB3  LEU  25           HB1      LEU  25  24.095 -14.877   2.335
  212    HG   LEU  25           HG       LEU  25  26.512 -14.674   4.114
  213   HD11  LEU  25          HD11      LEU  25  25.391 -12.862   5.341
  214   HD12  LEU  25          HD12      LEU  25  24.084 -12.857   4.157
  215   HD13  LEU  25          HD13      LEU  25  25.710 -12.370   3.678
  216   HD21  LEU  25          HD21      LEU  25  24.274 -16.259   4.204
  217   HD22  LEU  25          HD22      LEU  25  23.775 -14.894   5.201
  218   HD23  LEU  25          HD23      LEU  25  25.226 -15.806   5.617
  219    H    PHE  26           HN       PHE  26  24.977 -15.215  -0.263
  220    HA   PHE  26           HA       PHE  26  22.979 -17.224  -0.547
  221    HB2  PHE  26           HB2      PHE  26  24.102 -15.603  -2.819
  222    HB3  PHE  26           HB1      PHE  26  22.457 -16.197  -2.602
  223    HD1  PHE  26           HD1      PHE  26  21.579 -15.457  -0.032
  224    HD2  PHE  26           HD2      PHE  26  24.232 -13.283  -2.622
  225    HE1  PHE  26           HE1      PHE  26  20.971 -13.349   1.114
  226    HE2  PHE  26           HE2      PHE  26  23.624 -11.174  -1.471
  227    HZ   PHE  26           HZ       PHE  26  21.995 -11.207   0.397
  228    H    LYS  27           HN       LYS  27  25.862 -16.628  -2.558
  229    HA   LYS  27           HA       LYS  27  25.747 -19.009  -3.992
  230    HB2  LYS  27           HB2      LYS  27  28.385 -17.762  -3.239
  231    HB3  LYS  27           HB1      LYS  27  27.945 -18.575  -4.734
  232    HG2  LYS  27           HG2      LYS  27  26.815 -15.904  -3.823
  233    HG3  LYS  27           HG1      LYS  27  28.103 -16.100  -4.997
  234    HD2  LYS  27           HD2      LYS  27  25.292 -17.199  -5.301
  235    HD3  LYS  27           HD1      LYS  27  25.917 -15.758  -6.091
  236    HE2  LYS  27           HE2      LYS  27  26.322 -17.289  -7.766
  237    HE3  LYS  27           HE1      LYS  27  27.832 -17.450  -6.868
  238    HZ1  LYS  27           HZ1      LYS  27  26.067 -19.454  -7.434
  239    HZ2  LYS  27           HZ2      LYS  27  25.759 -19.098  -5.802
  240    HZ3  LYS  27           HZ3      LYS  27  27.327 -19.522  -6.300
  241    H    TYR  28           HN       TYR  28  26.039 -18.863  -0.715
  242    HA   TYR  28           HA       TYR  28  27.475 -21.452  -0.643
  243    HB2  TYR  28           HB2      TYR  28  29.047 -20.359   0.549
  244    HB3  TYR  28           HB1      TYR  28  27.986 -18.991   0.876
  245    HD1  TYR  28           HD1      TYR  28  28.539 -22.568   1.815
  246    HD2  TYR  28           HD2      TYR  28  27.013 -18.732   2.994
  247    HE1  TYR  28           HE1      TYR  28  28.132 -23.433   4.106
  248    HE2  TYR  28           HE2      TYR  28  26.603 -19.595   5.283
  249    HH   TYR  28           HH       TYR  28  27.612 -21.506   6.730
  250    H    LEU  29           HN       LEU  29  24.925 -19.420   0.702
  251    HA   LEU  29           HA       LEU  29  23.912 -21.744   2.212
  252    HB2  LEU  29           HB2      LEU  29  24.318 -19.272   3.148
  253    HB3  LEU  29           HB1      LEU  29  22.683 -19.054   2.527
  254    HG   LEU  29           HG       LEU  29  23.555 -21.240   4.444
  255   HD11  LEU  29          HD11      LEU  29  22.023 -19.944   6.010
  256   HD12  LEU  29          HD12      LEU  29  22.070 -18.634   4.832
  257   HD13  LEU  29          HD13      LEU  29  23.555 -19.160   5.625
  258   HD21  LEU  29          HD21      LEU  29  20.906 -21.258   4.635
  259   HD22  LEU  29          HD22      LEU  29  21.719 -22.174   3.369
  260   HD23  LEU  29          HD23      LEU  29  21.003 -20.605   3.001
  261    H    GLN  30           HN       GLN  30  22.964 -19.299  -0.160
  262    HA   GLN  30           HA       GLN  30  20.258 -20.168  -0.399
  263    HB2  GLN  30           HB2      GLN  30  20.793 -17.950  -1.093
  264    HB3  GLN  30           HB1      GLN  30  22.035 -18.525  -2.202
  265    HG2  GLN  30           HG2      GLN  30  20.525 -19.225  -3.779
  266    HG3  GLN  30           HG1      GLN  30  19.271 -19.565  -2.588
  267   HE21  GLN  30          HE21      GLN  30  20.744 -16.461  -2.164
  268   HE22  GLN  30          HE22      GLN  30  19.514 -15.547  -2.890
  269    H    LYS  31           HN       LYS  31  23.238 -21.359  -1.678
  270    HA   LYS  31           HA       LYS  31  21.874 -22.882  -3.781
  271    HB2  LYS  31           HB2      LYS  31  24.682 -22.123  -3.189
  272    HB3  LYS  31           HB1      LYS  31  24.436 -23.677  -3.982
  273    HG2  LYS  31           HG2      LYS  31  24.717 -21.871  -5.641
  274    HG3  LYS  31           HG1      LYS  31  23.105 -22.578  -5.744
  275    HD2  LYS  31           HD2      LYS  31  22.116 -20.731  -4.592
  276    HD3  LYS  31           HD1      LYS  31  23.688 -20.115  -4.086
  277    HE2  LYS  31           HE2      LYS  31  23.978 -19.001  -6.032
  278    HE3  LYS  31           HE1      LYS  31  23.495 -20.401  -6.988
  279    HZ1  LYS  31           HZ1      LYS  31  21.620 -19.321  -7.395
  280    HZ2  LYS  31           HZ2      LYS  31  21.977 -18.110  -6.258
  281    HZ3  LYS  31           HZ3      LYS  31  21.199 -19.537  -5.765
  282    H    LYS  32           HN       LYS  32  21.811 -23.331  -0.704
  283    HA   LYS  32           HA       LYS  32  22.802 -26.099  -0.650
  284    HB2  LYS  32           HB2      LYS  32  21.712 -24.373   1.586
  285    HB3  LYS  32           HB1      LYS  32  22.397 -25.984   1.778
  286    HG2  LYS  32           HG2      LYS  32  23.916 -23.654   0.571
  287    HG3  LYS  32           HG1      LYS  32  23.994 -24.079   2.278
  288    HD2  LYS  32           HD2      LYS  32  25.653 -25.510   1.758
  289    HD3  LYS  32           HD1      LYS  32  24.461 -26.498   0.918
  290    HE2  LYS  32           HE2      LYS  32  24.826 -25.007  -1.110
  291    HE3  LYS  32           HE1      LYS  32  26.197 -24.309  -0.249
  292    HZ1  LYS  32           HZ1      LYS  32  27.187 -26.000  -1.413
  293    HZ2  LYS  32           HZ2      LYS  32  25.847 -27.035  -1.290
  294    HZ3  LYS  32           HZ3      LYS  32  26.855 -26.784   0.053
  Start of MODEL   40
    1    H1   LYS   1           HT1      LYS   1  21.514  18.160  -2.676
    2    H2   LYS   1           HT2      LYS   1  22.395  16.725  -2.456
    3    H3   LYS   1           HT3      LYS   1  21.667  17.490  -1.126
    4    HA   LYS   1           HA       LYS   1  19.734  16.488  -1.461
    5    HB2  LYS   1           HB2      LYS   1  19.807  18.135  -3.622
    6    HB3  LYS   1           HB1      LYS   1  19.761  16.569  -4.431
    7    HG2  LYS   1           HG2      LYS   1  17.803  17.474  -2.292
    8    HG3  LYS   1           HG1      LYS   1  17.483  17.479  -4.025
    9    HD2  LYS   1           HD2      LYS   1  17.887  15.028  -4.091
   10    HD3  LYS   1           HD1      LYS   1  18.123  15.038  -2.344
   11    HE2  LYS   1           HE2      LYS   1  15.697  16.413  -2.819
   12    HE3  LYS   1           HE1      LYS   1  15.652  14.963  -3.824
   13    HZ1  LYS   1           HZ1      LYS   1  15.354  15.180  -1.031
   14    HZ2  LYS   1           HZ2      LYS   1  16.715  14.223  -1.369
   15    HZ3  LYS   1           HZ3      LYS   1  15.200  13.803  -2.011
   16    H    LYS   2           HN       LYS   2  22.180  15.075  -1.340
   17    HA   LYS   2           HA       LYS   2  22.069  12.929  -3.296
   18    HB2  LYS   2           HB2      LYS   2  24.262  13.573  -2.583
   19    HB3  LYS   2           HB1      LYS   2  23.814  13.437  -0.881
   20    HG2  LYS   2           HG2      LYS   2  23.886  11.126  -0.903
   21    HG3  LYS   2           HG1      LYS   2  23.471  11.024  -2.614
   22    HD2  LYS   2           HD2      LYS   2  25.844  10.394  -2.165
   23    HD3  LYS   2           HD1      LYS   2  25.703  11.783  -3.243
   24    HE2  LYS   2           HE2      LYS   2  25.840  12.376  -0.332
   25    HE3  LYS   2           HE1      LYS   2  27.320  11.783  -1.086
   26    HZ1  LYS   2           HZ1      LYS   2  27.585  13.921  -1.645
   27    HZ2  LYS   2           HZ2      LYS   2  25.941  14.300  -1.446
   28    HZ3  LYS   2           HZ3      LYS   2  26.480  13.574  -2.885
   29    H    HIS   3           HN       HIS   3  22.516  12.475   0.171
   30    HA   HIS   3           HA       HIS   3  19.966  11.188   0.556
   31    HB2  HIS   3           HB2      HIS   3  21.270   9.449  -0.686
   32    HB3  HIS   3           HB1      HIS   3  22.447   9.456   0.628
   33    HD2  HIS   3           HD2      HIS   3  21.481   6.709   1.124
   34    HE1  HIS   3           HE1      HIS   3  17.911   8.038   2.940
   35    HE2  HIS   3           HE2      HIS   3  19.411   6.026   2.560
   36    H    THR   4           HN       THR   4  21.969   9.467   2.434
   37    HA   THR   4           HA       THR   4  21.981  11.492   4.597
   38    HB   THR   4           HB       THR   4  20.362   9.787   5.128
   39    HG1  THR   4           HG1      THR   4  22.188  10.427   6.657
   40   HG21  THR   4          HG21      THR   4  21.959   7.437   5.325
   41   HG22  THR   4          HG22      THR   4  22.193   8.104   3.709
   42   HG23  THR   4          HG23      THR   4  20.571   7.720   4.278
   43    H    ILE   5           HN       ILE   5  23.305   8.650   5.634
   44    HA   ILE   5           HA       ILE   5  26.049   9.621   5.122
   45    HB   ILE   5           HB       ILE   5  26.546   8.129   7.170
   46   HG12  ILE   5          HG12      ILE   5  23.815   8.679   8.130
   47   HG13  ILE   5          HG11      ILE   5  23.897   7.445   6.874
   48   HG21  ILE   5          HG21      ILE   5  26.779  10.454   7.457
   49   HG22  ILE   5          HG22      ILE   5  25.604  10.008   8.694
   50   HG23  ILE   5          HG23      ILE   5  25.060  10.749   7.189
   51   HD11  ILE   5          HD11      ILE   5  25.381   6.097   8.139
   52   HD12  ILE   5          HD12      ILE   5  24.164   6.636   9.296
   53   HD13  ILE   5          HD13      ILE   5  25.748   7.412   9.255
   54    H    TRP   6           HN       TRP   6  23.831   7.002   4.728
   55    HA   TRP   6           HA       TRP   6  25.359   4.755   4.493
   56    HB2  TRP   6           HB2      TRP   6  22.872   5.695   3.368
   57    HB3  TRP   6           HB1      TRP   6  23.756   4.740   2.178
   58    HD1  TRP   6           HD1      TRP   6  22.626   2.448   2.300
   59    HE1  TRP   6           HE1      TRP   6  22.176   0.727   4.158
   60    HE3  TRP   6           HE3      TRP   6  24.040   5.174   6.368
   61    HZ2  TRP   6           HZ2      TRP   6  22.389   0.534   6.999
   62    HZ3  TRP   6           HZ3      TRP   6  23.907   4.199   8.644
   63    HH2  TRP   6           HH2      TRP   6  23.083   1.883   8.965
   64    H    GLU   7           HN       GLU   7  24.759   6.972   1.757
   65    HA   GLU   7           HA       GLU   7  26.580   5.853  -0.021
   66    HB2  GLU   7           HB2      GLU   7  25.072   8.312   0.210
   67    HB3  GLU   7           HB1      GLU   7  26.651   8.597  -0.523
   68    HG2  GLU   7           HG2      GLU   7  24.748   6.414  -1.409
   69    HG3  GLU   7           HG1      GLU   7  24.848   7.998  -2.177
   70    H    VAL   8           HN       VAL   8  27.259   7.348   2.917
   71    HA   VAL   8           HA       VAL   8  29.960   8.156   2.069
   72    HB   VAL   8           HB       VAL   8  28.767   8.652   4.788
   73   HG11  VAL   8          HG11      VAL   8  30.572  10.016   5.095
   74   HG12  VAL   8          HG12      VAL   8  30.576  10.555   3.416
   75   HG13  VAL   8          HG13      VAL   8  31.290   9.001   3.844
   76   HG21  VAL   8          HG21      VAL   8  28.041  10.855   3.927
   77   HG22  VAL   8          HG22      VAL   8  27.203   9.549   3.090
   78   HG23  VAL   8          HG23      VAL   8  28.542  10.384   2.302
   79    H    ILE   9           HN       ILE   9  28.234   6.032   4.312
   80    HA   ILE   9           HA       ILE   9  30.797   4.732   4.970
   81    HB   ILE   9           HB       ILE   9  30.022   5.439   7.015
   82   HG12  ILE   9          HG12      ILE   9  29.910   2.745   6.676
   83   HG13  ILE   9          HG11      ILE   9  29.630   3.546   8.208
   84   HG21  ILE   9          HG21      ILE   9  27.245   5.038   5.922
   85   HG22  ILE   9          HG22      ILE   9  28.047   6.542   6.372
   86   HG23  ILE   9          HG23      ILE   9  27.560   5.405   7.620
   87   HD11  ILE   9          HD11      ILE   9  27.270   3.399   8.000
   88   HD12  ILE   9          HD12      ILE   9  27.872   1.823   7.494
   89   HD13  ILE   9          HD13      ILE   9  27.358   2.997   6.291
   90    H    ALA  10           HN       ALA  10  27.368   4.137   4.256
   91    HA   ALA  10           HA       ALA  10  27.677   1.308   3.984
   92    HB1  ALA  10           HB1      ALA  10  25.501   2.417   4.429
   93    HB2  ALA  10           HB2      ALA  10  25.446   1.358   3.021
   94    HB3  ALA  10           HB3      ALA  10  25.546   3.106   2.805
   95    H    GLY  11           HN       GLY  11  26.888   3.705   1.450
   96    HA2  GLY  11           HA2      GLY  11  27.467   2.121  -0.750
   97    HA3  GLY  11           HA1      GLY  11  27.621   3.879  -0.732
   98    H    LEU  12           HN       LEU  12  29.532   3.282   1.654
   99    HA   LEU  12           HA       LEU  12  31.921   3.003  -0.029
  100    HB2  LEU  12           HB2      LEU  12  31.561   5.048   1.468
  101    HB3  LEU  12           HB1      LEU  12  31.850   3.964   2.828
  102    HG   LEU  12           HG       LEU  12  33.960   3.283   1.315
  103   HD11  LEU  12          HD11      LEU  12  33.100   5.064  -0.377
  104   HD12  LEU  12          HD12      LEU  12  34.819   5.053   0.019
  105   HD13  LEU  12          HD13      LEU  12  33.749   6.239   0.766
  106   HD21  LEU  12          HD21      LEU  12  34.111   4.051   3.622
  107   HD22  LEU  12          HD22      LEU  12  33.738   5.704   3.132
  108   HD23  LEU  12          HD23      LEU  12  35.263   4.963   2.648
  109    H    VAL  13           HN       VAL  13  30.141   1.560   2.594
  110    HA   VAL  13           HA       VAL  13  32.263  -0.484   2.899
  111    HB   VAL  13           HB       VAL  13  30.149   0.333   4.908
  112   HG11  VAL  13          HG11      VAL  13  32.382  -1.712   4.954
  113   HG12  VAL  13          HG12      VAL  13  30.655  -2.004   5.165
  114   HG13  VAL  13          HG13      VAL  13  31.562  -1.143   6.409
  115   HG21  VAL  13          HG21      VAL  13  32.257   1.840   4.358
  116   HG22  VAL  13          HG22      VAL  13  33.116   0.613   5.288
  117   HG23  VAL  13          HG23      VAL  13  31.807   1.529   6.034
  118    H    ALA  14           HN       ALA  14  28.718  -0.103   3.204
  119    HA   ALA  14           HA       ALA  14  27.916  -2.708   3.150
  120    HB1  ALA  14           HB1      ALA  14  26.665  -0.473   1.532
  121    HB2  ALA  14           HB2      ALA  14  26.354  -0.795   3.237
  122    HB3  ALA  14           HB3      ALA  14  25.870  -1.972   2.015
  123    H    LEU  15           HN       LEU  15  28.938  -0.764   0.364
  124    HA   LEU  15           HA       LEU  15  28.455  -2.783  -1.578
  125    HB2  LEU  15           HB2      LEU  15  28.878  -0.284  -1.995
  126    HB3  LEU  15           HB1      LEU  15  30.587  -0.659  -1.784
  127    HG   LEU  15           HG       LEU  15  30.314  -2.472  -3.531
  128   HD11  LEU  15          HD11      LEU  15  28.164  -1.447  -5.003
  129   HD12  LEU  15          HD12      LEU  15  27.554  -1.552  -3.353
  130   HD13  LEU  15          HD13      LEU  15  28.208  -2.984  -4.145
  131   HD21  LEU  15          HD21      LEU  15  29.993   0.466  -4.098
  132   HD22  LEU  15          HD22      LEU  15  30.068  -0.689  -5.430
  133   HD23  LEU  15          HD23      LEU  15  31.417  -0.552  -4.303
  134    H    LEU  16           HN       LEU  16  31.229  -1.888   0.401
  135    HA   LEU  16           HA       LEU  16  32.945  -3.909  -0.742
  136    HB2  LEU  16           HB2      LEU  16  33.389  -2.357   1.808
  137    HB3  LEU  16           HB1      LEU  16  34.604  -3.124   0.782
  138    HG   LEU  16           HG       LEU  16  32.843  -0.775   0.017
  139   HD11  LEU  16          HD11      LEU  16  35.855  -0.911   0.290
  140   HD12  LEU  16          HD12      LEU  16  34.798  -0.373   1.595
  141   HD13  LEU  16          HD13      LEU  16  34.857   0.528   0.080
  142   HD21  LEU  16          HD21      LEU  16  33.159  -1.931  -1.999
  143   HD22  LEU  16          HD22      LEU  16  34.751  -2.524  -1.522
  144   HD23  LEU  16          HD23      LEU  16  34.538  -0.832  -1.980
  145    H    THR  17           HN       THR  17  30.458  -3.902   1.522
  146    HA   THR  17           HA       THR  17  31.523  -6.293   2.885
  147    HB   THR  17           HB       THR  17  29.632  -4.141   3.730
  148    HG1  THR  17           HG1      THR  17  31.990  -5.331   4.548
  149   HG21  THR  17          HG21      THR  17  29.121  -5.740   5.701
  150   HG22  THR  17          HG22      THR  17  29.610  -7.025   4.596
  151   HG23  THR  17          HG23      THR  17  28.242  -5.987   4.192
  152    H    PHE  18           HN       PHE  18  28.308  -5.017   2.003
  153    HA   PHE  18           HA       PHE  18  26.816  -7.266   1.968
  154    HB2  PHE  18           HB2      PHE  18  26.207  -4.860   1.234
  155    HB3  PHE  18           HB1      PHE  18  26.661  -5.395  -0.383
  156    HD1  PHE  18           HD2      PHE  18  24.360  -5.995   2.463
  157    HD2  PHE  18           HD1      PHE  18  25.290  -6.934  -1.620
  158    HE1  PHE  18           HE2      PHE  18  22.161  -7.110   2.214
  159    HE2  PHE  18           HE1      PHE  18  23.102  -8.045  -1.873
  160    HZ   PHE  18           HZ       PHE  18  21.527  -8.137   0.047
  161    H    LEU  19           HN       LEU  19  29.095  -6.291  -0.576
  162    HA   LEU  19           HA       LEU  19  28.519  -8.549  -2.270
  163    HB2  LEU  19           HB2      LEU  19  30.660  -6.432  -2.218
  164    HB3  LEU  19           HB1      LEU  19  30.777  -7.807  -3.313
  165    HG   LEU  19           HG       LEU  19  28.703  -7.238  -4.384
  166   HD11  LEU  19          HD11      LEU  19  27.320  -6.574  -2.571
  167   HD12  LEU  19          HD12      LEU  19  27.472  -5.140  -3.579
  168   HD13  LEU  19          HD13      LEU  19  28.421  -5.282  -2.101
  169   HD21  LEU  19          HD21      LEU  19  30.578  -5.943  -5.202
  170   HD22  LEU  19          HD22      LEU  19  30.414  -4.790  -3.879
  171   HD23  LEU  19          HD23      LEU  19  29.173  -4.880  -5.128
  172    H    ALA  20           HN       ALA  20  31.303  -7.676  -0.209
  173    HA   ALA  20           HA       ALA  20  32.834  -9.942  -0.517
  174    HB1  ALA  20           HB1      ALA  20  33.007  -9.370   2.214
  175    HB2  ALA  20           HB2      ALA  20  32.582  -7.833   1.461
  176    HB3  ALA  20           HB3      ALA  20  34.021  -8.704   0.932
  177    H    PHE  21           HN       PHE  21  30.206  -9.449   1.843
  178    HA   PHE  21           HA       PHE  21  30.337 -12.197   2.734
  179    HB2  PHE  21           HB2      PHE  21  28.472  -9.904   3.353
  180    HB3  PHE  21           HB1      PHE  21  28.280 -11.515   4.047
  181    HD1  PHE  21           HD1      PHE  21  30.895  -8.876   3.537
  182    HD2  PHE  21           HD2      PHE  21  29.395 -12.029   6.040
  183    HE1  PHE  21           HE1      PHE  21  32.617  -8.343   5.239
  184    HE2  PHE  21           HE2      PHE  21  31.117 -11.496   7.741
  185    HZ   PHE  21           HZ       PHE  21  32.728  -9.653   7.341
  186    H    GLY  22           HN       GLY  22  28.326 -10.248   0.599
  187    HA2  GLY  22           HA2      GLY  22  26.195 -12.052   0.237
  188    HA3  GLY  22           HA1      GLY  22  26.699 -10.826  -0.923
  189    H    PHE  23           HN       PHE  23  29.183 -11.606  -1.657
  190    HA   PHE  23           HA       PHE  23  28.790 -13.483  -3.623
  191    HB2  PHE  23           HB2      PHE  23  31.068 -12.135  -2.461
  192    HB3  PHE  23           HB1      PHE  23  31.479 -13.801  -2.866
  193    HD1  PHE  23           HD1      PHE  23  30.358 -14.605  -5.201
  194    HD2  PHE  23           HD2      PHE  23  31.376 -10.562  -4.161
  195    HE1  PHE  23           HE1      PHE  23  30.452 -14.011  -7.606
  196    HE2  PHE  23           HE2      PHE  23  31.472  -9.968  -6.565
  197    HZ   PHE  23           HZ       PHE  23  31.009 -11.693  -8.289
  198    H    TRP  24           HN       TRP  24  29.119 -13.958  -0.264
  199    HA   TRP  24           HA       TRP  24  29.652 -16.831  -0.598
  200    HB2  TRP  24           HB2      TRP  24  31.148 -15.823   0.981
  201    HB3  TRP  24           HB1      TRP  24  29.817 -15.012   1.807
  202    HD1  TRP  24           HD1      TRP  24  30.592 -18.666   0.812
  203    HE1  TRP  24           HE1      TRP  24  29.990 -20.189   2.808
  204    HE3  TRP  24           HE3      TRP  24  28.936 -15.161   4.111
  205    HZ2  TRP  24           HZ2      TRP  24  28.942 -19.942   5.454
  206    HZ3  TRP  24           HZ3      TRP  24  28.138 -15.823   6.367
  207    HH2  TRP  24           HH2      TRP  24  28.140 -18.208   7.040
  208    H    LEU  25           HN       LEU  25  27.844 -14.988   1.823
  209    HA   LEU  25           HA       LEU  25  26.026 -16.580   2.806
  210    HB2  LEU  25           HB2      LEU  25  25.765 -13.806   1.808
  211    HB3  LEU  25           HB1      LEU  25  24.255 -14.645   2.174
  212    HG   LEU  25           HG       LEU  25  26.554 -14.733   4.108
  213   HD11  LEU  25          HD11      LEU  25  25.618 -12.759   5.243
  214   HD12  LEU  25          HD12      LEU  25  24.418 -12.585   3.964
  215   HD13  LEU  25          HD13      LEU  25  26.128 -12.346   3.606
  216   HD21  LEU  25          HD21      LEU  25  23.726 -14.550   4.972
  217   HD22  LEU  25          HD22      LEU  25  25.011 -15.611   5.549
  218   HD23  LEU  25          HD23      LEU  25  24.142 -16.005   4.067
  219    H    PHE  26           HN       PHE  26  25.310 -15.105  -0.372
  220    HA   PHE  26           HA       PHE  26  23.105 -16.854  -0.835
  221    HB2  PHE  26           HB2      PHE  26  24.618 -15.386  -2.986
  222    HB3  PHE  26           HB1      PHE  26  22.901 -15.778  -2.930
  223    HD1  PHE  26           HD2      PHE  26  21.915 -14.940  -0.406
  224    HD2  PHE  26           HD1      PHE  26  24.968 -13.088  -2.797
  225    HE1  PHE  26           HE2      PHE  26  21.462 -12.773   0.696
  226    HE2  PHE  26           HE1      PHE  26  24.509 -10.917  -1.694
  227    HZ   PHE  26           HZ       PHE  26  22.762 -10.760   0.055
  228    H    LYS  27           HN       LYS  27  26.220 -16.618  -2.555
  229    HA   LYS  27           HA       LYS  27  25.979 -18.948  -4.031
  230    HB2  LYS  27           HB2      LYS  27  28.605 -17.969  -2.915
  231    HB3  LYS  27           HB1      LYS  27  28.315 -18.799  -4.443
  232    HG2  LYS  27           HG2      LYS  27  27.450 -15.990  -3.701
  233    HG3  LYS  27           HG1      LYS  27  28.621 -16.452  -4.933
  234    HD2  LYS  27           HD2      LYS  27  26.651 -17.808  -5.965
  235    HD3  LYS  27           HD1      LYS  27  25.630 -16.778  -4.960
  236    HE2  LYS  27           HE2      LYS  27  27.187 -14.873  -6.024
  237    HE3  LYS  27           HE1      LYS  27  27.302 -16.063  -7.322
  238    HZ1  LYS  27           HZ1      LYS  27  25.357 -14.338  -7.248
  239    HZ2  LYS  27           HZ2      LYS  27  24.664 -15.475  -6.193
  240    HZ3  LYS  27           HZ3      LYS  27  25.087 -15.927  -7.775
  241    H    TYR  28           HN       TYR  28  25.944 -18.848  -0.719
  242    HA   TYR  28           HA       TYR  28  26.982 -21.614  -0.548
  243    HB2  TYR  28           HB2      TYR  28  28.546 -20.773   0.836
  244    HB3  TYR  28           HB1      TYR  28  27.679 -19.258   1.048
  245    HD1  TYR  28           HD2      TYR  28  27.396 -22.882   1.963
  246    HD2  TYR  28           HD1      TYR  28  26.703 -18.803   3.118
  247    HE1  TYR  28           HE2      TYR  28  26.625 -23.643   4.195
  248    HE2  TYR  28           HE1      TYR  28  25.937 -19.564   5.350
  249    HH   TYR  28           HH       TYR  28  26.528 -22.542   6.579
  250    H    LEU  29           HN       LEU  29  24.610 -19.256   0.572
  251    HA   LEU  29           HA       LEU  29  23.122 -21.429   1.901
  252    HB2  LEU  29           HB2      LEU  29  23.745 -19.033   2.931
  253    HB3  LEU  29           HB1      LEU  29  22.252 -18.588   2.113
  254    HG   LEU  29           HG       LEU  29  21.719 -19.233   4.387
  255   HD11  LEU  29          HD11      LEU  29  19.996 -20.764   3.949
  256   HD12  LEU  29          HD12      LEU  29  20.951 -21.645   2.757
  257   HD13  LEU  29          HD13      LEU  29  20.303 -20.050   2.368
  258   HD21  LEU  29          HD21      LEU  29  22.810 -20.862   5.496
  259   HD22  LEU  29          HD22      LEU  29  23.836 -21.055   4.078
  260   HD23  LEU  29          HD23      LEU  29  22.395 -22.052   4.262
  261    H    GLN  30           HN       GLN  30  22.779 -18.836  -0.485
  262    HA   GLN  30           HA       GLN  30  20.038 -19.351  -1.060
  263    HB2  GLN  30           HB2      GLN  30  20.948 -17.228  -1.676
  264    HB3  GLN  30           HB1      GLN  30  22.207 -17.982  -2.651
  265    HG2  GLN  30           HG2      GLN  30  20.789 -18.487  -4.377
  266    HG3  GLN  30           HG1      GLN  30  19.387 -18.652  -3.321
  267   HE21  GLN  30          HE21      GLN  30  21.144 -15.741  -2.709
  268   HE22  GLN  30          HE22      GLN  30  20.129 -14.698  -3.579
  269    H    LYS  31           HN       LYS  31  22.954 -20.950  -1.951
  270    HA   LYS  31           HA       LYS  31  21.760 -22.244  -4.276
  271    HB2  LYS  31           HB2      LYS  31  24.456 -21.939  -3.159
  272    HB3  LYS  31           HB1      LYS  31  24.130 -23.556  -3.781
  273    HG2  LYS  31           HG2      LYS  31  25.036 -22.165  -5.571
  274    HG3  LYS  31           HG1      LYS  31  23.350 -22.539  -5.925
  275    HD2  LYS  31           HD2      LYS  31  23.362 -20.173  -4.343
  276    HD3  LYS  31           HD1      LYS  31  24.583 -19.964  -5.598
  277    HE2  LYS  31           HE2      LYS  31  22.881 -20.695  -7.295
  278    HE3  LYS  31           HE1      LYS  31  21.671 -20.689  -6.013
  279    HZ1  LYS  31           HZ1      LYS  31  22.390 -18.321  -5.598
  280    HZ2  LYS  31           HZ2      LYS  31  21.523 -18.602  -7.032
  281    HZ3  LYS  31           HZ3      LYS  31  23.210 -18.400  -7.081
  282    H    LYS  32           HN       LYS  32  21.395 -22.631  -1.066
  283    HA   LYS  32           HA       LYS  32  21.556 -25.543  -0.997
  284    HB2  LYS  32           HB2      LYS  32  20.570 -23.613   1.115
  285    HB3  LYS  32           HB1      LYS  32  20.935 -25.318   1.352
  286    HG2  LYS  32           HG2      LYS  32  22.968 -23.284   0.393
  287    HG3  LYS  32           HG1      LYS  32  22.772 -23.737   2.083
  288    HD2  LYS  32           HD2      LYS  32  24.230 -25.414   1.687
  289    HD3  LYS  32           HD1      LYS  32  22.967 -26.189   0.735
  290    HE2  LYS  32           HE2      LYS  32  23.760 -24.775  -1.233
  291    HE3  LYS  32           HE1      LYS  32  25.158 -24.350  -0.249
  292    HZ1  LYS  32           HZ1      LYS  32  24.327 -27.084  -1.053
  293    HZ2  LYS  32           HZ2      LYS  32  25.612 -26.736   0.003
  294    HZ3  LYS  32           HZ3      LYS  32  25.680 -26.232  -1.618
  Start of MODEL   41
    1    H1   LYS   1           HT1      LYS   1  20.098  17.609  -0.734
    2    H2   LYS   1           HT2      LYS   1  20.673  18.637   0.491
    3    H3   LYS   1           HT3      LYS   1  20.788  16.951   0.667
    4    HA   LYS   1           HA       LYS   1  22.137  18.397  -1.533
    5    HB2  LYS   1           HB2      LYS   1  22.873  18.126   1.339
    6    HB3  LYS   1           HB1      LYS   1  24.156  17.837   0.162
    7    HG2  LYS   1           HG2      LYS   1  23.728  20.013  -0.881
    8    HG3  LYS   1           HG1      LYS   1  22.394  20.303   0.234
    9    HD2  LYS   1           HD2      LYS   1  24.769  19.582   1.711
   10    HD3  LYS   1           HD1      LYS   1  25.114  20.939   0.637
   11    HE2  LYS   1           HE2      LYS   1  22.736  20.823   2.514
   12    HE3  LYS   1           HE1      LYS   1  24.252  21.644   2.887
   13    HZ1  LYS   1           HZ1      LYS   1  23.439  22.465   0.351
   14    HZ2  LYS   1           HZ2      LYS   1  23.532  23.392   1.772
   15    HZ3  LYS   1           HZ3      LYS   1  22.090  22.587   1.371
   16    H    LYS   2           HN       LYS   2  21.860  15.607   0.645
   17    HA   LYS   2           HA       LYS   2  22.465  13.808  -1.553
   18    HB2  LYS   2           HB2      LYS   2  24.718  14.259  -0.828
   19    HB3  LYS   2           HB1      LYS   2  24.272  14.022   0.864
   20    HG2  LYS   2           HG2      LYS   2  23.939  11.690   0.561
   21    HG3  LYS   2           HG1      LYS   2  23.909  11.841  -1.195
   22    HD2  LYS   2           HD2      LYS   2  26.067  10.914  -0.326
   23    HD3  LYS   2           HD1      LYS   2  26.272  12.411  -1.237
   24    HE2  LYS   2           HE2      LYS   2  25.884  12.519   1.743
   25    HE3  LYS   2           HE1      LYS   2  27.477  12.155   1.076
   26    HZ1  LYS   2           HZ1      LYS   2  26.630  14.263  -0.407
   27    HZ2  LYS   2           HZ2      LYS   2  27.705  14.347   0.904
   28    HZ3  LYS   2           HZ3      LYS   2  26.048  14.641   1.140
   29    H    HIS   3           HN       HIS   3  22.142  11.538  -0.948
   30    HA   HIS   3           HA       HIS   3  19.775  10.963   0.246
   31    HB2  HIS   3           HB2      HIS   3  21.048   9.283  -0.970
   32    HB3  HIS   3           HB1      HIS   3  22.272   9.252   0.298
   33    HD2  HIS   3           HD2      HIS   3  21.490   6.482   0.785
   34    HE1  HIS   3           HE1      HIS   3  17.807   7.518   2.567
   35    HE2  HIS   3           HE2      HIS   3  19.449   5.622   2.169
   36    H    THR   4           HN       THR   4  22.376   9.550   2.072
   37    HA   THR   4           HA       THR   4  21.824  11.190   4.425
   38    HB   THR   4           HB       THR   4  20.125   9.452   4.604
   39    HG1  THR   4           HG1      THR   4  20.708   8.758   6.608
   40   HG21  THR   4          HG21      THR   4  20.471   7.334   3.927
   41   HG22  THR   4          HG22      THR   4  21.898   7.176   4.944
   42   HG23  THR   4          HG23      THR   4  22.042   7.859   3.325
   43    H    ILE   5           HN       ILE   5  22.973   8.445   5.644
   44    HA   ILE   5           HA       ILE   5  25.763   9.343   5.400
   45    HB   ILE   5           HB       ILE   5  26.041   7.681   7.353
   46   HG12  ILE   5          HG12      ILE   5  23.212   8.131   8.041
   47   HG13  ILE   5          HG11      ILE   5  23.455   7.014   6.697
   48   HG21  ILE   5          HG21      ILE   5  24.692   9.465   8.842
   49   HG22  ILE   5          HG22      ILE   5  24.713  10.347   7.315
   50   HG23  ILE   5          HG23      ILE   5  26.228   9.855   8.073
   51   HD11  ILE   5          HD11      ILE   5  24.844   5.586   8.005
   52   HD12  ILE   5          HD12      ILE   5  23.457   5.967   9.026
   53   HD13  ILE   5          HD13      ILE   5  24.996   6.789   9.285
   54    H    TRP   6           HN       TRP   6  23.618   6.710   4.648
   55    HA   TRP   6           HA       TRP   6  25.187   4.516   4.342
   56    HB2  TRP   6           HB2      TRP   6  22.799   5.530   3.077
   57    HB3  TRP   6           HB1      TRP   6  23.796   4.678   1.901
   58    HD1  TRP   6           HD1      TRP   6  22.679   2.382   1.736
   59    HE1  TRP   6           HE1      TRP   6  22.093   0.511   3.404
   60    HE3  TRP   6           HE3      TRP   6  23.712   4.769   6.120
   61    HZ2  TRP   6           HZ2      TRP   6  22.065   0.086   6.226
   62    HZ3  TRP   6           HZ3      TRP   6  23.398   3.612   8.288
   63    HH2  TRP   6           HH2      TRP   6  22.575   1.272   8.348
   64    H    GLU   7           HN       GLU   7  24.710   6.704   1.568
   65    HA   GLU   7           HA       GLU   7  26.751   5.803  -0.027
   66    HB2  GLU   7           HB2      GLU   7  25.508   8.501   0.344
   67    HB3  GLU   7           HB1      GLU   7  26.876   8.317  -0.751
   68    HG2  GLU   7           HG2      GLU   7  25.666   6.540  -1.964
   69    HG3  GLU   7           HG1      GLU   7  24.294   6.734  -0.873
   70    H    VAL   8           HN       VAL   8  27.107   7.258   3.024
   71    HA   VAL   8           HA       VAL   8  29.859   8.115   2.454
   72    HB   VAL   8           HB       VAL   8  28.499   8.468   5.108
   73   HG11  VAL   8          HG11      VAL   8  31.021   8.967   4.354
   74   HG12  VAL   8          HG12      VAL   8  30.163  10.009   5.489
   75   HG13  VAL   8          HG13      VAL   8  30.277  10.464   3.789
   76   HG21  VAL   8          HG21      VAL   8  28.247  10.257   2.665
   77   HG22  VAL   8          HG22      VAL   8  27.674  10.655   4.284
   78   HG23  VAL   8          HG23      VAL   8  26.937   9.327   3.388
   79    H    ILE   9           HN       ILE   9  28.009   5.831   4.418
   80    HA   ILE   9           HA       ILE   9  30.545   4.566   5.235
   81    HB   ILE   9           HB       ILE   9  29.612   5.125   7.249
   82   HG12  ILE   9          HG12      ILE   9  29.522   2.459   6.762
   83   HG13  ILE   9          HG11      ILE   9  29.096   3.178   8.302
   84   HG21  ILE   9          HG21      ILE   9  26.934   4.821   5.911
   85   HG22  ILE   9          HG22      ILE   9  27.704   6.285   6.523
   86   HG23  ILE   9          HG23      ILE   9  27.107   5.077   7.651
   87   HD11  ILE   9          HD11      ILE   9  27.416   1.505   7.319
   88   HD12  ILE   9          HD12      ILE   9  27.015   2.758   6.152
   89   HD13  ILE   9          HD13      ILE   9  26.769   3.048   7.870
   90    H    ALA  10           HN       ALA  10  27.221   3.963   4.177
   91    HA   ALA  10           HA       ALA  10  27.586   1.150   3.806
   92    HB1  ALA  10           HB1      ALA  10  25.563   3.004   2.523
   93    HB2  ALA  10           HB2      ALA  10  25.359   2.196   4.077
   94    HB3  ALA  10           HB3      ALA  10  25.465   1.245   2.597
   95    H    GLY  11           HN       GLY  11  27.000   3.644   1.309
   96    HA2  GLY  11           HA2      GLY  11  27.839   2.183  -0.887
   97    HA3  GLY  11           HA1      GLY  11  27.961   3.940  -0.771
   98    H    LEU  12           HN       LEU  12  29.623   3.280   1.768
   99    HA   LEU  12           HA       LEU  12  32.180   3.117   0.344
  100    HB2  LEU  12           HB2      LEU  12  31.634   5.064   1.897
  101    HB3  LEU  12           HB1      LEU  12  31.761   3.909   3.225
  102    HG   LEU  12           HG       LEU  12  34.046   3.349   1.846
  103   HD11  LEU  12          HD11      LEU  12  33.605   5.226   0.274
  104   HD12  LEU  12          HD12      LEU  12  35.082   5.478   1.206
  105   HD13  LEU  12          HD13      LEU  12  33.607   6.344   1.637
  106   HD21  LEU  12          HD21      LEU  12  33.595   5.441   3.997
  107   HD22  LEU  12          HD22      LEU  12  35.173   4.776   3.578
  108   HD23  LEU  12          HD23      LEU  12  33.924   3.727   4.250
  109    H    VAL  13           HN       VAL  13  30.163   1.491   2.673
  110    HA   VAL  13           HA       VAL  13  32.276  -0.545   3.074
  111    HB   VAL  13           HB       VAL  13  29.972   0.142   4.915
  112   HG11  VAL  13          HG11      VAL  13  31.321  -1.389   6.459
  113   HG12  VAL  13          HG12      VAL  13  32.192  -1.909   5.017
  114   HG13  VAL  13          HG13      VAL  13  30.455  -2.183   5.143
  115   HG21  VAL  13          HG21      VAL  13  31.492   1.298   6.251
  116   HG22  VAL  13          HG22      VAL  13  32.106   1.695   4.647
  117   HG23  VAL  13          HG23      VAL  13  32.881   0.429   5.600
  118    H    ALA  14           HN       ALA  14  28.717  -0.200   3.051
  119    HA   ALA  14           HA       ALA  14  27.959  -2.812   2.782
  120    HB1  ALA  14           HB1      ALA  14  26.855  -0.366   1.390
  121    HB2  ALA  14           HB2      ALA  14  26.270  -1.117   2.874
  122    HB3  ALA  14           HB3      ALA  14  26.072  -1.944   1.330
  123    H    LEU  15           HN       LEU  15  29.180  -0.681   0.220
  124    HA   LEU  15           HA       LEU  15  28.892  -2.601  -1.865
  125    HB2  LEU  15           HB2      LEU  15  29.123  -0.149  -2.263
  126    HB3  LEU  15           HB1      LEU  15  30.791  -0.243  -1.708
  127    HG   LEU  15           HG       LEU  15  31.286  -1.876  -3.517
  128   HD11  LEU  15          HD11      LEU  15  29.375  -1.739  -5.383
  129   HD12  LEU  15          HD12      LEU  15  28.348  -1.544  -3.962
  130   HD13  LEU  15          HD13      LEU  15  29.352  -2.982  -4.132
  131   HD21  LEU  15          HD21      LEU  15  31.857   0.314  -4.127
  132   HD22  LEU  15          HD22      LEU  15  30.177   0.848  -4.152
  133   HD23  LEU  15          HD23      LEU  15  30.794  -0.180  -5.445
  134    H    LEU  16           HN       LEU  16  31.365  -1.852   0.488
  135    HA   LEU  16           HA       LEU  16  33.256  -3.734  -0.703
  136    HB2  LEU  16           HB2      LEU  16  33.589  -2.232   1.890
  137    HB3  LEU  16           HB1      LEU  16  34.845  -2.896   0.843
  138    HG   LEU  16           HG       LEU  16  32.997  -0.582   0.198
  139   HD11  LEU  16          HD11      LEU  16  35.014  -0.241   1.743
  140   HD12  LEU  16          HD12      LEU  16  34.952   0.780   0.306
  141   HD13  LEU  16          HD13      LEU  16  36.017  -0.625   0.343
  142   HD21  LEU  16          HD21      LEU  16  34.922  -2.194  -1.468
  143   HD22  LEU  16          HD22      LEU  16  34.613  -0.501  -1.850
  144   HD23  LEU  16          HD23      LEU  16  33.288  -1.665  -1.869
  145    H    THR  17           HN       THR  17  30.586  -3.978   1.161
  146    HA   THR  17           HA       THR  17  31.636  -6.298   2.664
  147    HB   THR  17           HB       THR  17  29.750  -4.128   3.451
  148    HG1  THR  17           HG1      THR  17  31.710  -5.707   4.745
  149   HG21  THR  17          HG21      THR  17  28.984  -5.732   5.316
  150   HG22  THR  17          HG22      THR  17  29.519  -7.029   4.249
  151   HG23  THR  17          HG23      THR  17  28.240  -5.930   3.732
  152    H    PHE  18           HN       PHE  18  28.503  -4.997   1.549
  153    HA   PHE  18           HA       PHE  18  27.033  -7.286   1.410
  154    HB2  PHE  18           HB2      PHE  18  26.442  -4.842   0.715
  155    HB3  PHE  18           HB1      PHE  18  26.925  -5.368  -0.899
  156    HD1  PHE  18           HD2      PHE  18  24.568  -5.959   1.894
  157    HD2  PHE  18           HD1      PHE  18  25.600  -6.944  -2.156
  158    HE1  PHE  18           HE2      PHE  18  22.379  -7.087   1.610
  159    HE2  PHE  18           HE1      PHE  18  23.412  -8.072  -2.441
  160    HZ   PHE  18           HZ       PHE  18  21.799  -8.145  -0.557
  161    H    LEU  19           HN       LEU  19  29.412  -6.165  -0.965
  162    HA   LEU  19           HA       LEU  19  28.939  -8.347  -2.780
  163    HB2  LEU  19           HB2      LEU  19  31.015  -6.179  -2.570
  164    HB3  LEU  19           HB1      LEU  19  31.197  -7.487  -3.735
  165    HG   LEU  19           HG       LEU  19  30.044  -5.434  -4.649
  166   HD11  LEU  19          HD11      LEU  19  28.970  -6.792  -6.098
  167   HD12  LEU  19          HD12      LEU  19  27.861  -7.357  -4.851
  168   HD13  LEU  19          HD13      LEU  19  29.430  -8.134  -5.053
  169   HD21  LEU  19          HD21      LEU  19  28.820  -5.054  -2.426
  170   HD22  LEU  19          HD22      LEU  19  27.707  -6.315  -2.952
  171   HD23  LEU  19          HD23      LEU  19  27.869  -4.835  -3.894
  172    H    ALA  20           HN       ALA  20  30.866  -7.871   0.046
  173    HA   ALA  20           HA       ALA  20  32.693 -10.052  -0.562
  174    HB1  ALA  20           HB1      ALA  20  33.971  -9.030   0.967
  175    HB2  ALA  20           HB2      ALA  20  32.738  -9.288   2.202
  176    HB3  ALA  20           HB3      ALA  20  32.696  -7.835   1.203
  177    H    PHE  21           HN       PHE  21  30.071  -9.398   1.752
  178    HA   PHE  21           HA       PHE  21  30.097 -12.124   2.727
  179    HB2  PHE  21           HB2      PHE  21  28.315  -9.746   3.272
  180    HB3  PHE  21           HB1      PHE  21  28.069 -11.326   4.012
  181    HD1  PHE  21           HD2      PHE  21  30.788  -8.809   3.427
  182    HD2  PHE  21           HD1      PHE  21  29.143 -11.799   6.035
  183    HE1  PHE  21           HE2      PHE  21  32.517  -8.280   5.124
  184    HE2  PHE  21           HE1      PHE  21  30.871 -11.272   7.732
  185    HZ   PHE  21           HZ       PHE  21  32.558  -9.512   7.275
  186    H    GLY  22           HN       GLY  22  27.974 -10.090   0.735
  187    HA2  GLY  22           HA2      GLY  22  25.880 -11.905   0.343
  188    HA3  GLY  22           HA1      GLY  22  26.338 -10.640  -0.792
  189    H    PHE  23           HN       PHE  23  28.899 -11.472  -1.497
  190    HA   PHE  23           HA       PHE  23  28.382 -13.310  -3.529
  191    HB2  PHE  23           HB2      PHE  23  30.281 -12.035  -3.915
  192    HB3  PHE  23           HB1      PHE  23  30.870 -12.232  -2.261
  193    HD1  PHE  23           HD2      PHE  23  30.234 -14.117  -5.424
  194    HD2  PHE  23           HD1      PHE  23  32.401 -13.928  -1.719
  195    HE1  PHE  23           HE2      PHE  23  31.615 -16.051  -6.130
  196    HE2  PHE  23           HE1      PHE  23  33.780 -15.861  -2.427
  197    HZ   PHE  23           HZ       PHE  23  33.388 -16.925  -4.635
  198    H    TRP  24           HN       TRP  24  28.715 -13.818  -0.220
  199    HA   TRP  24           HA       TRP  24  29.403 -16.662  -0.608
  200    HB2  TRP  24           HB2      TRP  24  30.968 -15.626   0.893
  201    HB3  TRP  24           HB1      TRP  24  29.662 -14.884   1.820
  202    HD1  TRP  24           HD1      TRP  24  30.416 -18.492   0.647
  203    HE1  TRP  24           HE1      TRP  24  30.006 -20.086   2.634
  204    HE3  TRP  24           HE3      TRP  24  29.035 -15.116   4.199
  205    HZ2  TRP  24           HZ2      TRP  24  29.196 -19.940   5.370
  206    HZ3  TRP  24           HZ3      TRP  24  28.446 -15.862   6.492
  207    HH2  TRP  24           HH2      TRP  24  28.525 -18.268   7.079
  208    H    LEU  25           HN       LEU  25  27.728 -14.920   1.964
  209    HA   LEU  25           HA       LEU  25  26.005 -16.548   3.023
  210    HB2  LEU  25           HB2      LEU  25  25.649 -13.766   2.108
  211    HB3  LEU  25           HB1      LEU  25  24.165 -14.628   2.523
  212    HG   LEU  25           HG       LEU  25  26.579 -14.692   4.327
  213   HD11  LEU  25          HD11      LEU  25  25.611 -12.825   5.588
  214   HD12  LEU  25          HD12      LEU  25  24.294 -12.698   4.423
  215   HD13  LEU  25          HD13      LEU  25  25.945 -12.321   3.932
  216   HD21  LEU  25          HD21      LEU  25  24.156 -16.050   4.356
  217   HD22  LEU  25          HD22      LEU  25  23.876 -14.712   5.469
  218   HD23  LEU  25          HD23      LEU  25  25.217 -15.822   5.745
  219    H    PHE  26           HN       PHE  26  25.072 -15.059  -0.103
  220    HA   PHE  26           HA       PHE  26  22.885 -16.887  -0.413
  221    HB2  PHE  26           HB2      PHE  26  24.099 -15.288  -2.651
  222    HB3  PHE  26           HB1      PHE  26  22.417 -15.760  -2.420
  223    HD1  PHE  26           HD2      PHE  26  21.574 -15.021   0.116
  224    HD2  PHE  26           HD1      PHE  26  24.477 -13.012  -2.333
  225    HE1  PHE  26           HE2      PHE  26  21.133 -12.906   1.327
  226    HE2  PHE  26           HE1      PHE  26  24.037 -10.897  -1.115
  227    HZ   PHE  26           HZ       PHE  26  22.371 -10.847   0.717
  228    H    LYS  27           HN       LYS  27  25.931 -16.460  -2.223
  229    HA   LYS  27           HA       LYS  27  25.600 -18.731  -3.837
  230    HB2  LYS  27           HB2      LYS  27  28.290 -17.635  -3.004
  231    HB3  LYS  27           HB1      LYS  27  27.872 -18.457  -4.503
  232    HG2  LYS  27           HG2      LYS  27  26.565 -15.829  -3.759
  233    HG3  LYS  27           HG1      LYS  27  28.121 -15.870  -4.563
  234    HD2  LYS  27           HD2      LYS  27  25.804 -17.424  -5.686
  235    HD3  LYS  27           HD1      LYS  27  25.970 -15.703  -6.010
  236    HE2  LYS  27           HE2      LYS  27  27.708 -16.018  -7.428
  237    HE3  LYS  27           HE1      LYS  27  28.462 -17.228  -6.391
  238    HZ1  LYS  27           HZ1      LYS  27  26.412 -18.630  -7.168
  239    HZ2  LYS  27           HZ2      LYS  27  27.814 -18.527  -8.122
  240    HZ3  LYS  27           HZ3      LYS  27  26.458 -17.573  -8.495
  241    H    TYR  28           HN       TYR  28  25.719 -18.813  -0.615
  242    HA   TYR  28           HA       TYR  28  27.021 -21.469  -0.595
  243    HB2  TYR  28           HB2      TYR  28  28.543 -20.608   0.828
  244    HB3  TYR  28           HB1      TYR  28  27.606 -19.140   1.079
  245    HD1  TYR  28           HD2      TYR  28  27.460 -22.799   1.892
  246    HD2  TYR  28           HD1      TYR  28  26.657 -18.781   3.181
  247    HE1  TYR  28           HE2      TYR  28  26.705 -23.654   4.097
  248    HE2  TYR  28           HE1      TYR  28  25.903 -19.633   5.382
  249    HH   TYR  28           HH       TYR  28  25.028 -22.673   5.971
  250    H    LEU  29           HN       LEU  29  24.661 -19.316   0.967
  251    HA   LEU  29           HA       LEU  29  23.341 -21.627   2.185
  252    HB2  LEU  29           HB2      LEU  29  23.773 -19.160   3.168
  253    HB3  LEU  29           HB1      LEU  29  22.182 -18.908   2.450
  254    HG   LEU  29           HG       LEU  29  22.903 -21.111   4.403
  255   HD11  LEU  29          HD11      LEU  29  21.251 -19.817   5.853
  256   HD12  LEU  29          HD12      LEU  29  21.405 -18.501   4.690
  257   HD13  LEU  29          HD13      LEU  29  22.817 -19.044   5.598
  258   HD21  LEU  29          HD21      LEU  29  20.455 -20.451   2.796
  259   HD22  LEU  29          HD22      LEU  29  20.258 -21.155   4.401
  260   HD23  LEU  29          HD23      LEU  29  21.157 -22.027   3.160
  261    H    GLN  30           HN       GLN  30  22.754 -19.140  -0.241
  262    HA   GLN  30           HA       GLN  30  20.065 -20.114  -0.772
  263    HB2  GLN  30           HB2      GLN  30  20.428 -17.737  -0.956
  264    HB3  GLN  30           HB1      GLN  30  21.756 -17.981  -2.085
  265    HG2  GLN  30           HG2      GLN  30  20.375 -18.537  -3.836
  266    HG3  GLN  30           HG1      GLN  30  19.097 -19.138  -2.780
  267   HE21  GLN  30          HE21      GLN  30  20.419 -16.075  -1.824
  268   HE22  GLN  30          HE22      GLN  30  19.154 -15.110  -2.415
  269    H    LYS  31           HN       LYS  31  23.203 -20.937  -1.696
  270    HA   LYS  31           HA       LYS  31  22.243 -22.234  -4.178
  271    HB2  LYS  31           HB2      LYS  31  24.813 -20.906  -3.453
  272    HB3  LYS  31           HB1      LYS  31  24.887 -22.310  -4.517
  273    HG2  LYS  31           HG2      LYS  31  24.672 -20.129  -5.744
  274    HG3  LYS  31           HG1      LYS  31  23.374 -21.269  -6.097
  275    HD2  LYS  31           HD2      LYS  31  21.796 -20.057  -4.906
  276    HD3  LYS  31           HD1      LYS  31  23.000 -19.328  -3.844
  277    HE2  LYS  31           HE2      LYS  31  23.500 -17.654  -5.342
  278    HE3  LYS  31           HE1      LYS  31  23.164 -18.663  -6.749
  279    HZ1  LYS  31           HZ1      LYS  31  21.326 -17.379  -6.805
  280    HZ2  LYS  31           HZ2      LYS  31  21.348 -17.052  -5.138
  281    HZ3  LYS  31           HZ3      LYS  31  20.747 -18.536  -5.708
  282    H    LYS  32           HN       LYS  32  21.465 -23.966  -2.722
  283    HA   LYS  32           HA       LYS  32  23.579 -25.946  -2.351
  284    HB2  LYS  32           HB2      LYS  32  22.380 -26.489  -0.069
  285    HB3  LYS  32           HB1      LYS  32  23.638 -25.257  -0.143
  286    HG2  LYS  32           HG2      LYS  32  21.630 -24.472   1.097
  287    HG3  LYS  32           HG1      LYS  32  21.947 -23.497  -0.338
  288    HD2  LYS  32           HD2      LYS  32  20.188 -24.520  -1.558
  289    HD3  LYS  32           HD1      LYS  32  20.067 -25.859  -0.418
  290    HE2  LYS  32           HE2      LYS  32  19.307 -24.259   1.334
  291    HE3  LYS  32           HE1      LYS  32  19.344 -22.967   0.133
  292    HZ1  LYS  32           HZ1      LYS  32  17.129 -24.009   0.460
  293    HZ2  LYS  32           HZ2      LYS  32  17.757 -25.454  -0.174
  294    HZ3  LYS  32           HZ3      LYS  32  17.685 -24.059  -1.141
  Start of MODEL   42
    1    H1   LYS   1           HT1      LYS   1  24.468  16.205  -0.460
    2    H2   LYS   1           HT2      LYS   1  23.697  17.706  -0.264
    3    H3   LYS   1           HT3      LYS   1  24.709  17.435  -1.601
    4    HA   LYS   1           HA       LYS   1  21.981  16.471  -1.100
    5    HB2  LYS   1           HB2      LYS   1  23.526  17.719  -3.375
    6    HB3  LYS   1           HB1      LYS   1  21.955  16.959  -3.635
    7    HG2  LYS   1           HG2      LYS   1  20.925  18.449  -1.990
    8    HG3  LYS   1           HG1      LYS   1  22.494  19.174  -1.637
    9    HD2  LYS   1           HD2      LYS   1  22.656  20.100  -3.849
   10    HD3  LYS   1           HD1      LYS   1  21.257  19.178  -4.400
   11    HE2  LYS   1           HE2      LYS   1  20.646  20.797  -2.048
   12    HE3  LYS   1           HE1      LYS   1  21.204  21.777  -3.403
   13    HZ1  LYS   1           HZ1      LYS   1  18.697  21.013  -3.142
   14    HZ2  LYS   1           HZ2      LYS   1  19.282  19.666  -3.997
   15    HZ3  LYS   1           HZ3      LYS   1  19.426  21.224  -4.660
   16    H    LYS   2           HN       LYS   2  23.148  14.375  -0.392
   17    HA   LYS   2           HA       LYS   2  23.140  12.582  -2.700
   18    HB2  LYS   2           HB2      LYS   2  25.512  13.236  -2.432
   19    HB3  LYS   2           HB1      LYS   2  25.464  12.677  -0.760
   20    HG2  LYS   2           HG2      LYS   2  24.988  10.406  -1.471
   21    HG3  LYS   2           HG1      LYS   2  24.833  10.924  -3.151
   22    HD2  LYS   2           HD2      LYS   2  27.047   9.918  -2.755
   23    HD3  LYS   2           HD1      LYS   2  27.200  11.630  -3.153
   24    HE2  LYS   2           HE2      LYS   2  27.759  12.229  -0.973
   25    HE3  LYS   2           HE1      LYS   2  26.962  10.820  -0.273
   26    HZ1  LYS   2           HZ1      LYS   2  28.701   9.433  -1.298
   27    HZ2  LYS   2           HZ2      LYS   2  29.321  10.530  -0.159
   28    HZ3  LYS   2           HZ3      LYS   2  29.496  10.838  -1.820
   29    H    HIS   3           HN       HIS   3  21.253  11.685  -1.861
   30    HA   HIS   3           HA       HIS   3  19.907  10.495  -0.399
   31    HB2  HIS   3           HB2      HIS   3  21.416   8.804  -1.479
   32    HB3  HIS   3           HB1      HIS   3  22.465   8.915  -0.065
   33    HD2  HIS   3           HD2      HIS   3  21.597   6.130   0.413
   34    HE1  HIS   3           HE1      HIS   3  17.826   7.318   1.892
   35    HE2  HIS   3           HE2      HIS   3  19.450   5.376   1.694
   36    H    THR   4           HN       THR   4  21.817   8.952   1.692
   37    HA   THR   4           HA       THR   4  21.598  11.061   3.760
   38    HB   THR   4           HB       THR   4  19.988   9.333   4.235
   39    HG1  THR   4           HG1      THR   4  22.204   9.721   5.751
   40   HG21  THR   4          HG21      THR   4  20.318   7.236   3.504
   41   HG22  THR   4          HG22      THR   4  21.633   7.042   4.659
   42   HG23  THR   4          HG23      THR   4  21.966   7.648   3.036
   43    H    ILE   5           HN       ILE   5  22.910   8.314   5.032
   44    HA   ILE   5           HA       ILE   5  25.656   9.348   4.698
   45    HB   ILE   5           HB       ILE   5  26.029   7.939   6.829
   46   HG12  ILE   5          HG12      ILE   5  23.208   8.436   7.533
   47   HG13  ILE   5          HG11      ILE   5  23.444   7.152   6.347
   48   HG21  ILE   5          HG21      ILE   5  26.167  10.283   7.041
   49   HG22  ILE   5          HG22      ILE   5  24.924   9.837   8.210
   50   HG23  ILE   5          HG23      ILE   5  24.465  10.510   6.645
   51   HD11  ILE   5          HD11      ILE   5  24.845   5.912   7.800
   52   HD12  ILE   5          HD12      ILE   5  23.522   6.470   8.825
   53   HD13  ILE   5          HD13      ILE   5  25.083   7.289   8.874
   54    H    TRP   6           HN       TRP   6  23.558   6.660   4.192
   55    HA   TRP   6           HA       TRP   6  25.171   4.454   4.176
   56    HB2  TRP   6           HB2      TRP   6  22.749   5.256   2.840
   57    HB3  TRP   6           HB1      TRP   6  23.757   4.317   1.740
   58    HD1  TRP   6           HD1      TRP   6  22.752   1.970   1.831
   59    HE1  TRP   6           HE1      TRP   6  22.229   0.273   3.693
   60    HE3  TRP   6           HE3      TRP   6  23.671   4.864   5.926
   61    HZ2  TRP   6           HZ2      TRP   6  22.203   0.161   6.546
   62    HZ3  TRP   6           HZ3      TRP   6  23.387   3.939   8.210
   63    HH2  TRP   6           HH2      TRP   6  22.656   1.591   8.525
   64    H    GLU   7           HN       GLU   7  24.770   6.654   1.389
   65    HA   GLU   7           HA       GLU   7  26.744   5.506  -0.228
   66    HB2  GLU   7           HB2      GLU   7  25.122   7.893  -0.211
   67    HB3  GLU   7           HB1      GLU   7  26.750   8.254  -0.784
   68    HG2  GLU   7           HG2      GLU   7  25.065   5.958  -1.814
   69    HG3  GLU   7           HG1      GLU   7  25.168   7.529  -2.604
   70    H    VAL   8           HN       VAL   8  27.147   7.030   2.716
   71    HA   VAL   8           HA       VAL   8  29.877   7.935   2.073
   72    HB   VAL   8           HB       VAL   8  28.427   8.450   4.664
   73   HG11  VAL   8          HG11      VAL   8  30.976   8.796   4.231
   74   HG12  VAL   8          HG12      VAL   8  30.063  10.098   4.994
   75   HG13  VAL   8          HG13      VAL   8  30.457  10.186   3.277
   76   HG21  VAL   8          HG21      VAL   8  28.406  10.134   2.136
   77   HG22  VAL   8          HG22      VAL   8  27.730  10.614   3.692
   78   HG23  VAL   8          HG23      VAL   8  27.016   9.273   2.797
   79    H    ILE   9           HN       ILE   9  28.023   5.811   4.204
   80    HA   ILE   9           HA       ILE   9  30.551   4.602   5.123
   81    HB   ILE   9           HB       ILE   9  29.568   5.317   7.073
   82   HG12  ILE   9          HG12      ILE   9  29.549   2.616   6.781
   83   HG13  ILE   9          HG11      ILE   9  29.109   3.437   8.264
   84   HG21  ILE   9          HG21      ILE   9  26.919   4.831   5.731
   85   HG22  ILE   9          HG22      ILE   9  27.639   6.361   6.228
   86   HG23  ILE   9          HG23      ILE   9  27.061   5.233   7.446
   87   HD11  ILE   9          HD11      ILE   9  27.041   2.799   6.153
   88   HD12  ILE   9          HD12      ILE   9  26.782   3.228   7.838
   89   HD13  ILE   9          HD13      ILE   9  27.468   1.659   7.423
   90    H    ALA  10           HN       ALA  10  27.222   3.883   4.114
   91    HA   ALA  10           HA       ALA  10  27.655   1.061   3.920
   92    HB1  ALA  10           HB1      ALA  10  25.567   2.744   2.517
   93    HB2  ALA  10           HB2      ALA  10  25.410   2.123   4.161
   94    HB3  ALA  10           HB3      ALA  10  25.505   1.004   2.801
   95    H    GLY  11           HN       GLY  11  27.020   3.418   1.304
   96    HA2  GLY  11           HA2      GLY  11  27.825   1.829  -0.820
   97    HA3  GLY  11           HA1      GLY  11  27.925   3.587  -0.813
   98    H    LEU  12           HN       LEU  12  29.638   3.047   1.745
   99    HA   LEU  12           HA       LEU  12  32.170   2.831   0.274
  100    HB2  LEU  12           HB2      LEU  12  31.611   4.889   1.698
  101    HB3  LEU  12           HB1      LEU  12  31.840   3.837   3.096
  102    HG   LEU  12           HG       LEU  12  34.073   3.236   1.673
  103   HD11  LEU  12          HD11      LEU  12  35.002   5.271   0.725
  104   HD12  LEU  12          HD12      LEU  12  33.581   6.194   1.216
  105   HD13  LEU  12          HD13      LEU  12  33.443   4.962  -0.039
  106   HD21  LEU  12          HD21      LEU  12  34.002   3.873   4.041
  107   HD22  LEU  12          HD22      LEU  12  33.689   5.551   3.599
  108   HD23  LEU  12          HD23      LEU  12  35.242   4.811   3.208
  109    H    VAL  13           HN       VAL  13  30.216   1.353   2.747
  110    HA   VAL  13           HA       VAL  13  32.404  -0.557   3.330
  111    HB   VAL  13           HB       VAL  13  29.982   0.153   5.000
  112   HG11  VAL  13          HG11      VAL  13  31.314  -1.314   6.678
  113   HG12  VAL  13          HG12      VAL  13  32.119  -1.958   5.246
  114   HG13  VAL  13          HG13      VAL  13  30.372  -2.130   5.429
  115   HG21  VAL  13          HG21      VAL  13  32.113   1.691   4.806
  116   HG22  VAL  13          HG22      VAL  13  32.868   0.447   5.801
  117   HG23  VAL  13          HG23      VAL  13  31.457   1.319   6.400
  118    H    ALA  14           HN       ALA  14  28.849  -0.412   3.003
  119    HA   ALA  14           HA       ALA  14  28.237  -3.072   2.898
  120    HB1  ALA  14           HB1      ALA  14  26.859  -1.799   0.725
  121    HB2  ALA  14           HB2      ALA  14  26.986  -0.666   2.070
  122    HB3  ALA  14           HB3      ALA  14  26.237  -2.243   2.314
  123    H    LEU  15           HN       LEU  15  29.410  -1.092   0.178
  124    HA   LEU  15           HA       LEU  15  29.474  -3.187  -1.720
  125    HB2  LEU  15           HB2      LEU  15  31.239  -0.727  -1.599
  126    HB3  LEU  15           HB1      LEU  15  30.893  -1.703  -3.030
  127    HG   LEU  15           HG       LEU  15  28.832  -0.193  -1.405
  128   HD11  LEU  15          HD11      LEU  15  28.974   1.541  -2.897
  129   HD12  LEU  15          HD12      LEU  15  29.375   0.479  -4.247
  130   HD13  LEU  15          HD13      LEU  15  30.622   0.947  -3.093
  131   HD21  LEU  15          HD21      LEU  15  27.551  -0.739  -3.664
  132   HD22  LEU  15          HD22      LEU  15  27.607  -1.919  -2.356
  133   HD23  LEU  15          HD23      LEU  15  28.698  -2.076  -3.732
  134    H    LEU  16           HN       LEU  16  31.641  -2.155   0.790
  135    HA   LEU  16           HA       LEU  16  33.711  -4.043  -0.076
  136    HB2  LEU  16           HB2      LEU  16  33.822  -2.209   2.313
  137    HB3  LEU  16           HB1      LEU  16  35.167  -2.943   1.437
  138    HG   LEU  16           HG       LEU  16  33.278  -0.814   0.399
  139   HD11  LEU  16          HD11      LEU  16  36.285  -0.690   0.631
  140   HD12  LEU  16          HD12      LEU  16  35.243  -0.243   1.982
  141   HD13  LEU  16          HD13      LEU  16  35.141   0.642   0.461
  142   HD21  LEU  16          HD21      LEU  16  33.707  -2.164  -1.482
  143   HD22  LEU  16          HD22      LEU  16  35.349  -2.537  -0.952
  144   HD23  LEU  16          HD23      LEU  16  34.966  -0.931  -1.574
  145    H    THR  17           HN       THR  17  30.928  -4.333   1.457
  146    HA   THR  17           HA       THR  17  31.905  -6.506   3.170
  147    HB   THR  17           HB       THR  17  30.144  -4.225   4.064
  148    HG1  THR  17           HG1      THR  17  32.670  -4.757   4.316
  149   HG21  THR  17          HG21      THR  17  29.988  -5.674   6.198
  150   HG22  THR  17          HG22      THR  17  30.425  -7.023   5.148
  151   HG23  THR  17          HG23      THR  17  28.949  -6.106   4.840
  152    H    PHE  18           HN       PHE  18  28.741  -4.946   2.756
  153    HA   PHE  18           HA       PHE  18  27.156  -7.170   2.698
  154    HB2  PHE  18           HB2      PHE  18  26.550  -4.644   2.504
  155    HB3  PHE  18           HB1      PHE  18  26.615  -4.934   0.767
  156    HD1  PHE  18           HD1      PHE  18  25.228  -6.511   3.876
  157    HD2  PHE  18           HD2      PHE  18  24.658  -5.653  -0.293
  158    HE1  PHE  18           HE1      PHE  18  22.973  -7.535   3.974
  159    HE2  PHE  18           HE2      PHE  18  22.403  -6.677  -0.196
  160    HZ   PHE  18           HZ       PHE  18  21.559  -7.618   1.938
  161    H    LEU  19           HN       LEU  19  28.940  -5.773  -0.030
  162    HA   LEU  19           HA       LEU  19  27.962  -7.774  -1.883
  163    HB2  LEU  19           HB2      LEU  19  29.887  -5.474  -2.040
  164    HB3  LEU  19           HB1      LEU  19  29.848  -6.673  -3.328
  165    HG   LEU  19           HG       LEU  19  28.350  -4.669  -3.712
  166   HD11  LEU  19          HD11      LEU  19  26.325  -6.746  -3.571
  167   HD12  LEU  19          HD12      LEU  19  27.843  -7.397  -4.185
  168   HD13  LEU  19          HD13      LEU  19  27.082  -6.027  -4.990
  169   HD21  LEU  19          HD21      LEU  19  26.420  -4.338  -2.372
  170   HD22  LEU  19          HD22      LEU  19  27.725  -4.610  -1.221
  171   HD23  LEU  19          HD23      LEU  19  26.594  -5.908  -1.589
  172    H    ALA  20           HN       ALA  20  30.426  -7.606   0.443
  173    HA   ALA  20           HA       ALA  20  32.208  -9.467  -0.925
  174    HB1  ALA  20           HB1      ALA  20  32.382  -8.531   1.942
  175    HB2  ALA  20           HB2      ALA  20  33.006  -7.588   0.591
  176    HB3  ALA  20           HB3      ALA  20  33.674  -9.183   0.936
  177    H    PHE  21           HN       PHE  21  30.119  -9.430   1.959
  178    HA   PHE  21           HA       PHE  21  30.503 -12.285   2.368
  179    HB2  PHE  21           HB2      PHE  21  28.821 -10.214   3.791
  180    HB3  PHE  21           HB1      PHE  21  28.857 -11.920   4.240
  181    HD1  PHE  21           HD1      PHE  21  30.971  -8.884   3.828
  182    HD2  PHE  21           HD2      PHE  21  30.668 -12.833   5.490
  183    HE1  PHE  21           HE1      PHE  21  33.056  -8.503   5.113
  184    HE2  PHE  21           HE2      PHE  21  32.753 -12.452   6.776
  185    HZ   PHE  21           HZ       PHE  21  33.946 -10.286   6.587
  186    H    GLY  22           HN       GLY  22  27.978 -10.086   1.240
  187    HA2  GLY  22           HA2      GLY  22  25.863 -11.930   1.057
  188    HA3  GLY  22           HA1      GLY  22  26.020 -10.466   0.091
  189    H    PHE  23           HN       PHE  23  28.287 -10.949  -1.374
  190    HA   PHE  23           HA       PHE  23  27.364 -12.499  -3.492
  191    HB2  PHE  23           HB2      PHE  23  29.038 -11.013  -4.101
  192    HB3  PHE  23           HB1      PHE  23  30.040 -11.415  -2.704
  193    HD1  PHE  23           HD2      PHE  23  28.655 -12.889  -5.851
  194    HD2  PHE  23           HD1      PHE  23  31.779 -12.968  -2.904
  195    HE1  PHE  23           HE2      PHE  23  29.891 -14.559  -7.204
  196    HE2  PHE  23           HE1      PHE  23  33.013 -14.636  -4.255
  197    HZ   PHE  23           HZ       PHE  23  32.069 -15.435  -6.409
  198    H    TRP  24           HN       TRP  24  28.514 -13.489  -0.502
  199    HA   TRP  24           HA       TRP  24  29.246 -16.162  -1.521
  200    HB2  TRP  24           HB2      TRP  24  31.052 -15.200  -0.244
  201    HB3  TRP  24           HB1      TRP  24  29.954 -14.778   1.072
  202    HD1  TRP  24           HD1      TRP  24  30.728 -18.016  -0.894
  203    HE1  TRP  24           HE1      TRP  24  30.904 -19.960   0.796
  204    HE3  TRP  24           HE3      TRP  24  29.847 -15.488   3.437
  205    HZ2  TRP  24           HZ2      TRP  24  30.696 -20.378   3.613
  206    HZ3  TRP  24           HZ3      TRP  24  29.838 -16.678   5.615
  207    HH2  TRP  24           HH2      TRP  24  30.262 -19.117   5.708
  208    H    LEU  25           HN       LEU  25  28.118 -15.000   1.621
  209    HA   LEU  25           HA       LEU  25  26.781 -16.962   2.710
  210    HB2  LEU  25           HB2      LEU  25  26.077 -14.102   2.455
  211    HB3  LEU  25           HB1      LEU  25  24.790 -15.163   3.029
  212    HG   LEU  25           HG       LEU  25  27.567 -15.311   4.179
  213   HD11  LEU  25          HD11      LEU  25  26.765 -12.971   4.391
  214   HD12  LEU  25          HD12      LEU  25  26.850 -13.777   5.957
  215   HD13  LEU  25          HD13      LEU  25  25.292 -13.563   5.160
  216   HD21  LEU  25          HD21      LEU  25  25.211 -15.758   5.876
  217   HD22  LEU  25          HD22      LEU  25  26.643 -16.762   5.660
  218   HD23  LEU  25          HD23      LEU  25  25.310 -16.873   4.514
  219    H    PHE  26           HN       PHE  26  25.071 -15.000   0.252
  220    HA   PHE  26           HA       PHE  26  22.949 -16.896   0.079
  221    HB2  PHE  26           HB2      PHE  26  23.578 -14.831  -2.016
  222    HB3  PHE  26           HB1      PHE  26  22.005 -15.480  -1.554
  223    HD1  PHE  26           HD2      PHE  26  21.654 -15.300   1.174
  224    HD2  PHE  26           HD1      PHE  26  23.954 -12.644  -1.297
  225    HE1  PHE  26           HE2      PHE  26  21.398 -13.510   2.862
  226    HE2  PHE  26           HE1      PHE  26  23.702 -10.852   0.397
  227    HZ   PHE  26           HZ       PHE  26  22.427 -11.287   2.477
  228    H    LYS  27           HN       LYS  27  25.601 -16.034  -2.151
  229    HA   LYS  27           HA       LYS  27  24.918 -18.068  -4.021
  230    HB2  LYS  27           HB2      LYS  27  27.668 -16.853  -3.765
  231    HB3  LYS  27           HB1      LYS  27  26.870 -17.454  -5.213
  232    HG2  LYS  27           HG2      LYS  27  25.732 -15.103  -3.682
  233    HG3  LYS  27           HG1      LYS  27  26.999 -14.881  -4.873
  234    HD2  LYS  27           HD2      LYS  27  24.547 -16.452  -5.603
  235    HD3  LYS  27           HD1      LYS  27  24.504 -14.691  -5.617
  236    HE2  LYS  27           HE2      LYS  27  25.844 -14.546  -7.452
  237    HE3  LYS  27           HE1      LYS  27  26.866 -15.889  -6.942
  238    HZ1  LYS  27           HZ1      LYS  27  25.797 -16.877  -8.656
  239    HZ2  LYS  27           HZ2      LYS  27  24.404 -15.916  -8.509
  240    HZ3  LYS  27           HZ3      LYS  27  24.660 -17.215  -7.444
  241    H    TYR  28           HN       TYR  28  25.380 -18.887  -1.156
  242    HA   TYR  28           HA       TYR  28  27.001 -21.227  -1.801
  243    HB2  TYR  28           HB2      TYR  28  28.786 -20.423  -0.682
  244    HB3  TYR  28           HB1      TYR  28  27.857 -19.112   0.035
  245    HD1  TYR  28           HD2      TYR  28  28.101 -22.853   0.239
  246    HD2  TYR  28           HD1      TYR  28  27.548 -19.146   2.341
  247    HE1  TYR  28           HE2      TYR  28  28.027 -24.084   2.390
  248    HE2  TYR  28           HE1      TYR  28  27.474 -20.378   4.493
  249    HH   TYR  28           HH       TYR  28  27.892 -23.921   4.596
  250    H    LEU  29           HN       LEU  29  25.056 -19.559   0.677
  251    HA   LEU  29           HA       LEU  29  24.180 -22.139   1.735
  252    HB2  LEU  29           HB2      LEU  29  24.623 -19.661   2.899
  253    HB3  LEU  29           HB1      LEU  29  22.865 -19.782   2.834
  254    HG   LEU  29           HG       LEU  29  24.740 -21.862   3.995
  255   HD11  LEU  29          HD11      LEU  29  22.883 -20.939   5.901
  256   HD12  LEU  29          HD12      LEU  29  23.486 -19.493   5.090
  257   HD13  LEU  29          HD13      LEU  29  24.614 -20.608   5.861
  258   HD21  LEU  29          HD21      LEU  29  21.875 -21.864   3.246
  259   HD22  LEU  29          HD22      LEU  29  22.223 -22.477   4.862
  260   HD23  LEU  29          HD23      LEU  29  22.984 -23.218   3.454
  261    H    GLN  30           HN       GLN  30  22.793 -19.276   0.167
  262    HA   GLN  30           HA       GLN  30  20.131 -20.371   0.096
  263    HB2  GLN  30           HB2      GLN  30  20.269 -18.004   0.114
  264    HB3  GLN  30           HB1      GLN  30  21.445 -17.988  -1.191
  265    HG2  GLN  30           HG2      GLN  30  19.861 -18.522  -2.821
  266    HG3  GLN  30           HG1      GLN  30  18.700 -19.115  -1.629
  267   HE21  GLN  30          HE21      GLN  30  20.174 -16.248  -0.501
  268   HE22  GLN  30          HE22      GLN  30  18.954 -15.165  -0.963
  269    H    LYS  31           HN       LYS  31  22.895 -21.156  -1.519
  270    HA   LYS  31           HA       LYS  31  21.460 -21.966  -3.973
  271    HB2  LYS  31           HB2      LYS  31  24.159 -20.934  -3.458
  272    HB3  LYS  31           HB1      LYS  31  24.138 -22.376  -4.472
  273    HG2  LYS  31           HG2      LYS  31  23.972 -20.386  -5.879
  274    HG3  LYS  31           HG1      LYS  31  22.454 -21.281  -5.947
  275    HD2  LYS  31           HD2      LYS  31  22.258 -19.495  -3.742
  276    HD3  LYS  31           HD1      LYS  31  22.904 -18.569  -5.094
  277    HE2  LYS  31           HE2      LYS  31  21.050 -19.513  -6.526
  278    HE3  LYS  31           HE1      LYS  31  20.355 -20.204  -5.059
  279    HZ1  LYS  31           HZ1      LYS  31  20.495 -17.429  -5.924
  280    HZ2  LYS  31           HZ2      LYS  31  20.725 -17.712  -4.264
  281    HZ3  LYS  31           HZ3      LYS  31  19.298 -18.227  -5.027
  282    H    LYS  32           HN       LYS  32  23.976 -23.054  -1.698
  283    HA   LYS  32           HA       LYS  32  24.731 -25.185  -1.207
  284    HB2  LYS  32           HB2      LYS  32  22.000 -24.846  -0.506
  285    HB3  LYS  32           HB1      LYS  32  22.188 -26.497  -1.098
  286    HG2  LYS  32           HG2      LYS  32  24.162 -26.762   0.425
  287    HG3  LYS  32           HG1      LYS  32  23.815 -25.163   1.085
  288    HD2  LYS  32           HD2      LYS  32  21.909 -27.525   1.101
  289    HD3  LYS  32           HD1      LYS  32  22.829 -26.945   2.490
  290    HE2  LYS  32           HE2      LYS  32  21.683 -24.639   1.903
  291    HE3  LYS  32           HE1      LYS  32  20.499 -25.670   1.097
  292    HZ1  LYS  32           HZ1      LYS  32  21.167 -26.701   3.655
  293    HZ2  LYS  32           HZ2      LYS  32  19.647 -26.255   3.039
  294    HZ3  LYS  32           HZ3      LYS  32  20.638 -25.095   3.787
  Start of MODEL   43
    1    H1   LYS   1           HT1      LYS   1  19.212  16.401  -4.817
    2    H2   LYS   1           HT2      LYS   1  18.291  17.306  -3.712
    3    H3   LYS   1           HT3      LYS   1  17.671  15.864  -4.357
    4    HA   LYS   1           HA       LYS   1  19.937  16.161  -2.467
    5    HB2  LYS   1           HB2      LYS   1  17.087  15.369  -2.297
    6    HB3  LYS   1           HB1      LYS   1  18.215  14.338  -1.415
    7    HG2  LYS   1           HG2      LYS   1  18.997  16.129  -0.085
    8    HG3  LYS   1           HG1      LYS   1  18.334  17.343  -1.179
    9    HD2  LYS   1           HD2      LYS   1  16.989  17.050   0.922
   10    HD3  LYS   1           HD1      LYS   1  16.066  16.757  -0.553
   11    HE2  LYS   1           HE2      LYS   1  16.080  14.426  -0.248
   12    HE3  LYS   1           HE1      LYS   1  17.456  14.486   0.856
   13    HZ1  LYS   1           HZ1      LYS   1  14.811  15.675   1.475
   14    HZ2  LYS   1           HZ2      LYS   1  16.114  15.441   2.538
   15    HZ3  LYS   1           HZ3      LYS   1  15.256  14.105   1.935
   16    H    LYS   2           HN       LYS   2  20.983  14.164  -1.898
   17    HA   LYS   2           HA       LYS   2  21.043  12.261  -4.146
   18    HB2  LYS   2           HB2      LYS   2  23.167  13.396  -3.473
   19    HB3  LYS   2           HB1      LYS   2  23.041  12.608  -1.900
   20    HG2  LYS   2           HG2      LYS   2  22.667  10.592  -3.867
   21    HG3  LYS   2           HG1      LYS   2  24.076  11.536  -4.354
   22    HD2  LYS   2           HD2      LYS   2  23.648  10.351  -1.595
   23    HD3  LYS   2           HD1      LYS   2  24.693   9.665  -2.839
   24    HE2  LYS   2           HE2      LYS   2  25.395  12.402  -2.611
   25    HE3  LYS   2           HE1      LYS   2  25.277  11.773  -0.968
   26    HZ1  LYS   2           HZ1      LYS   2  27.333  11.028  -1.372
   27    HZ2  LYS   2           HZ2      LYS   2  27.167  11.137  -3.058
   28    HZ3  LYS   2           HZ3      LYS   2  26.558   9.786  -2.227
   29    H    HIS   3           HN       HIS   3  21.721  11.970  -0.657
   30    HA   HIS   3           HA       HIS   3  19.610  10.054  -0.249
   31    HB2  HIS   3           HB2      HIS   3  21.447   8.750  -1.440
   32    HB3  HIS   3           HB1      HIS   3  22.432   9.008  -0.000
   33    HD2  HIS   3           HD2      HIS   3  22.122   6.103   0.403
   34    HE1  HIS   3           HE1      HIS   3  18.142   6.469   1.761
   35    HE2  HIS   3           HE2      HIS   3  20.130   4.898   1.586
   36    H    THR   4           HN       THR   4  21.799   8.893   1.746
   37    HA   THR   4           HA       THR   4  21.500  11.037   3.766
   38    HB   THR   4           HB       THR   4  19.934   9.333   4.379
   39    HG1  THR   4           HG1      THR   4  21.929   8.399   5.990
   40   HG21  THR   4          HG21      THR   4  21.894   7.603   3.159
   41   HG22  THR   4          HG22      THR   4  20.223   7.248   3.595
   42   HG23  THR   4          HG23      THR   4  21.509   7.020   4.778
   43    H    ILE   5           HN       ILE   5  22.903   8.269   4.995
   44    HA   ILE   5           HA       ILE   5  25.618   9.371   4.598
   45    HB   ILE   5           HB       ILE   5  26.074   8.036   6.756
   46   HG12  ILE   5          HG12      ILE   5  23.273   8.481   7.546
   47   HG13  ILE   5          HG11      ILE   5  23.480   7.193   6.359
   48   HG21  ILE   5          HG21      ILE   5  26.177  10.363   6.968
   49   HG22  ILE   5          HG22      ILE   5  24.887   9.951   8.099
   50   HG23  ILE   5          HG23      ILE   5  24.491  10.579   6.498
   51   HD11  ILE   5          HD11      ILE   5  24.974   5.995   7.763
   52   HD12  ILE   5          HD12      ILE   5  23.664   6.511   8.824
   53   HD13  ILE   5          HD13      ILE   5  25.201   7.378   8.833
   54    H    TRP   6           HN       TRP   6  23.546   6.624   4.278
   55    HA   TRP   6           HA       TRP   6  25.191   4.447   4.257
   56    HB2  TRP   6           HB2      TRP   6  22.704   5.179   2.995
   57    HB3  TRP   6           HB1      TRP   6  23.678   4.205   1.892
   58    HD1  TRP   6           HD1      TRP   6  22.677   1.864   2.111
   59    HE1  TRP   6           HE1      TRP   6  22.244   0.232   4.053
   60    HE3  TRP   6           HE3      TRP   6  23.774   4.898   6.058
   61    HZ2  TRP   6           HZ2      TRP   6  22.349   0.217   6.906
   62    HZ3  TRP   6           HZ3      TRP   6  23.599   4.053   8.383
   63    HH2  TRP   6           HH2      TRP   6  22.889   1.716   8.812
   64    H    GLU   7           HN       GLU   7  24.631   6.535   1.413
   65    HA   GLU   7           HA       GLU   7  26.551   5.369  -0.247
   66    HB2  GLU   7           HB2      GLU   7  24.880   7.704  -0.252
   67    HB3  GLU   7           HB1      GLU   7  26.487   8.124  -0.844
   68    HG2  GLU   7           HG2      GLU   7  24.861   5.769  -1.840
   69    HG3  GLU   7           HG1      GLU   7  24.943   7.331  -2.653
   70    H    VAL   8           HN       VAL   8  27.043   7.064   2.613
   71    HA   VAL   8           HA       VAL   8  29.738   7.949   1.826
   72    HB   VAL   8           HB       VAL   8  28.389   8.539   4.455
   73   HG11  VAL   8          HG11      VAL   8  30.134   9.965   4.791
   74   HG12  VAL   8          HG12      VAL   8  30.186  10.455   3.099
   75   HG13  VAL   8          HG13      VAL   8  30.949   8.947   3.604
   76   HG21  VAL   8          HG21      VAL   8  28.238  10.117   1.865
   77   HG22  VAL   8          HG22      VAL   8  27.635  10.663   3.430
   78   HG23  VAL   8          HG23      VAL   8  26.890   9.278   2.634
   79    H    ILE   9           HN       ILE   9  28.013   5.868   4.106
   80    HA   ILE   9           HA       ILE   9  30.600   4.733   4.952
   81    HB   ILE   9           HB       ILE   9  29.699   5.523   6.917
   82   HG12  ILE   9          HG12      ILE   9  29.733   2.811   6.736
   83   HG13  ILE   9          HG11      ILE   9  29.347   3.684   8.203
   84   HG21  ILE   9          HG21      ILE   9  27.217   5.395   7.419
   85   HG22  ILE   9          HG22      ILE   9  26.998   4.916   5.732
   86   HG23  ILE   9          HG23      ILE   9  27.701   6.483   6.126
   87   HD11  ILE   9          HD11      ILE   9  27.009   3.406   7.911
   88   HD12  ILE   9          HD12      ILE   9  27.709   1.836   7.524
   89   HD13  ILE   9          HD13      ILE   9  27.192   2.909   6.232
   90    H    ALA  10           HN       ALA  10  27.236   3.922   4.143
   91    HA   ALA  10           HA       ALA  10  27.710   1.105   4.043
   92    HB1  ALA  10           HB1      ALA  10  25.529   2.700   2.682
   93    HB2  ALA  10           HB2      ALA  10  25.460   2.124   4.347
   94    HB3  ALA  10           HB3      ALA  10  25.515   0.969   3.016
   95    H    GLY  11           HN       GLY  11  26.916   3.338   1.364
   96    HA2  GLY  11           HA2      GLY  11  27.649   1.675  -0.731
   97    HA3  GLY  11           HA1      GLY  11  27.728   3.435  -0.798
   98    H    LEU  12           HN       LEU  12  29.562   3.025   1.697
   99    HA   LEU  12           HA       LEU  12  32.026   2.771   0.122
  100    HB2  LEU  12           HB2      LEU  12  31.532   4.881   1.478
  101    HB3  LEU  12           HB1      LEU  12  31.795   3.890   2.913
  102    HG   LEU  12           HG       LEU  12  33.979   3.226   1.404
  103   HD11  LEU  12          HD11      LEU  12  33.382   4.930  -0.294
  104   HD12  LEU  12          HD12      LEU  12  34.904   5.321   0.507
  105   HD13  LEU  12          HD13      LEU  12  33.428   6.175   0.953
  106   HD21  LEU  12          HD21      LEU  12  33.996   3.840   3.780
  107   HD22  LEU  12          HD22      LEU  12  33.683   5.525   3.365
  108   HD23  LEU  12          HD23      LEU  12  35.214   4.775   2.913
  109    H    VAL  13           HN       VAL  13  30.206   1.377   2.742
  110    HA   VAL  13           HA       VAL  13  32.438  -0.489   3.302
  111    HB   VAL  13           HB       VAL  13  30.073   0.272   5.032
  112   HG11  VAL  13          HG11      VAL  13  31.776  -1.135   6.622
  113   HG12  VAL  13          HG12      VAL  13  31.989  -1.984   5.092
  114   HG13  VAL  13          HG13      VAL  13  30.384  -1.849   5.810
  115   HG21  VAL  13          HG21      VAL  13  32.177   1.810   4.715
  116   HG22  VAL  13          HG22      VAL  13  32.994   0.593   5.696
  117   HG23  VAL  13          HG23      VAL  13  31.609   1.468   6.348
  118    H    ALA  14           HN       ALA  14  28.869  -0.396   3.109
  119    HA   ALA  14           HA       ALA  14  28.283  -3.062   3.127
  120    HB1  ALA  14           HB1      ALA  14  26.774  -1.966   0.980
  121    HB2  ALA  14           HB2      ALA  14  27.003  -0.687   2.170
  122    HB3  ALA  14           HB3      ALA  14  26.263  -2.213   2.649
  123    H    LEU  15           HN       LEU  15  29.337  -1.179   0.291
  124    HA   LEU  15           HA       LEU  15  29.351  -3.344  -1.528
  125    HB2  LEU  15           HB2      LEU  15  31.109  -0.877  -1.565
  126    HB3  LEU  15           HB1      LEU  15  30.713  -1.908  -2.944
  127    HG   LEU  15           HG       LEU  15  28.714  -0.322  -1.310
  128   HD11  LEU  15          HD11      LEU  15  30.430   0.749  -3.091
  129   HD12  LEU  15          HD12      LEU  15  28.772   1.321  -2.916
  130   HD13  LEU  15          HD13      LEU  15  29.183   0.189  -4.205
  131   HD21  LEU  15          HD21      LEU  15  27.342  -0.976  -3.483
  132   HD22  LEU  15          HD22      LEU  15  27.454  -2.095  -2.124
  133   HD23  LEU  15          HD23      LEU  15  28.488  -2.317  -3.535
  134    H    LEU  16           HN       LEU  16  31.604  -2.194   0.853
  135    HA   LEU  16           HA       LEU  16  33.651  -4.109  -0.006
  136    HB2  LEU  16           HB2      LEU  16  33.840  -2.171   2.292
  137    HB3  LEU  16           HB1      LEU  16  35.154  -2.934   1.396
  138    HG   LEU  16           HG       LEU  16  33.206  -0.867   0.342
  139   HD11  LEU  16          HD11      LEU  16  35.171  -0.149   1.814
  140   HD12  LEU  16          HD12      LEU  16  35.099   0.585   0.212
  141   HD13  LEU  16          HD13      LEU  16  36.222  -0.737   0.526
  142   HD21  LEU  16          HD21      LEU  16  34.823  -1.054  -1.686
  143   HD22  LEU  16          HD22      LEU  16  33.582  -2.293  -1.494
  144   HD23  LEU  16          HD23      LEU  16  35.245  -2.628  -1.010
  145    H    THR  17           HN       THR  17  30.932  -4.353   1.646
  146    HA   THR  17           HA       THR  17  32.003  -6.436   3.415
  147    HB   THR  17           HB       THR  17  30.173  -4.194   4.292
  148    HG1  THR  17           HG1      THR  17  32.804  -4.991   4.775
  149   HG21  THR  17          HG21      THR  17  30.572  -5.649   6.524
  150   HG22  THR  17          HG22      THR  17  30.600  -6.945   5.329
  151   HG23  THR  17          HG23      THR  17  29.186  -5.899   5.460
  152    H    PHE  18           HN       PHE  18  28.807  -4.925   3.019
  153    HA   PHE  18           HA       PHE  18  27.256  -7.173   3.137
  154    HB2  PHE  18           HB2      PHE  18  26.603  -4.664   2.809
  155    HB3  PHE  18           HB1      PHE  18  26.601  -5.074   1.094
  156    HD1  PHE  18           HD2      PHE  18  25.384  -6.471   4.360
  157    HD2  PHE  18           HD1      PHE  18  24.607  -5.883   0.176
  158    HE1  PHE  18           HE2      PHE  18  23.161  -7.534   4.624
  159    HE2  PHE  18           HE1      PHE  18  22.383  -6.945   0.440
  160    HZ   PHE  18           HZ       PHE  18  21.659  -7.771   2.664
  161    H    LEU  19           HN       LEU  19  28.677  -5.781   0.180
  162    HA   LEU  19           HA       LEU  19  27.765  -7.880  -1.526
  163    HB2  LEU  19           HB2      LEU  19  29.747  -5.640  -1.775
  164    HB3  LEU  19           HB1      LEU  19  29.682  -6.887  -3.017
  165    HG   LEU  19           HG       LEU  19  28.228  -4.860  -3.474
  166   HD11  LEU  19          HD11      LEU  19  26.155  -6.879  -3.280
  167   HD12  LEU  19          HD12      LEU  19  27.663  -7.599  -3.842
  168   HD13  LEU  19          HD13      LEU  19  26.953  -6.243  -4.716
  169   HD21  LEU  19          HD21      LEU  19  26.312  -4.428  -2.156
  170   HD22  LEU  19          HD22      LEU  19  27.587  -4.724  -0.976
  171   HD23  LEU  19          HD23      LEU  19  26.414  -5.986  -1.340
  172    H    ALA  20           HN       ALA  20  31.019  -7.093  -0.277
  173    HA   ALA  20           HA       ALA  20  32.500  -9.152  -1.243
  174    HB1  ALA  20           HB1      ALA  20  33.931  -8.084   0.117
  175    HB2  ALA  20           HB2      ALA  20  33.280  -9.057   1.437
  176    HB3  ALA  20           HB3      ALA  20  32.617  -7.456   1.111
  177    H    PHE  21           HN       PHE  21  30.635  -9.336   1.805
  178    HA   PHE  21           HA       PHE  21  31.015 -12.191   1.979
  179    HB2  PHE  21           HB2      PHE  21  29.376 -10.222   3.581
  180    HB3  PHE  21           HB1      PHE  21  29.403 -11.954   3.918
  181    HD1  PHE  21           HD1      PHE  21  31.755  -9.095   3.317
  182    HD2  PHE  21           HD2      PHE  21  31.028 -12.791   5.379
  183    HE1  PHE  21           HE1      PHE  21  33.879  -8.816   4.564
  184    HE2  PHE  21           HE2      PHE  21  33.153 -12.514   6.625
  185    HZ   PHE  21           HZ       PHE  21  34.579 -10.526   6.218
  186    H    GLY  22           HN       GLY  22  28.296  -9.998   1.305
  187    HA2  GLY  22           HA2      GLY  22  26.189 -11.710   1.039
  188    HA3  GLY  22           HA1      GLY  22  26.440 -10.344  -0.042
  189    H    PHE  23           HN       PHE  23  28.570 -10.975  -1.505
  190    HA   PHE  23           HA       PHE  23  27.726 -12.501  -3.576
  191    HB2  PHE  23           HB2      PHE  23  30.180 -11.352  -2.796
  192    HB3  PHE  23           HB1      PHE  23  30.533 -13.023  -3.231
  193    HD1  PHE  23           HD2      PHE  23  28.954 -13.808  -5.364
  194    HD2  PHE  23           HD1      PHE  23  30.411  -9.846  -4.564
  195    HE1  PHE  23           HE2      PHE  23  28.729 -13.239  -7.766
  196    HE2  PHE  23           HE1      PHE  23  30.186  -9.277  -6.964
  197    HZ   PHE  23           HZ       PHE  23  29.344 -10.974  -8.568
  198    H    TRP  24           HN       TRP  24  29.629 -13.714  -0.813
  199    HA   TRP  24           HA       TRP  24  29.479 -16.440  -1.737
  200    HB2  TRP  24           HB2      TRP  24  31.432 -15.910  -0.515
  201    HB3  TRP  24           HB1      TRP  24  30.507 -15.142   0.777
  202    HD1  TRP  24           HD1      TRP  24  30.676 -18.634  -0.872
  203    HE1  TRP  24           HE1      TRP  24  30.411 -20.413   0.979
  204    HE3  TRP  24           HE3      TRP  24  30.056 -15.598   3.171
  205    HZ2  TRP  24           HZ2      TRP  24  29.991 -20.524   3.802
  206    HZ3  TRP  24           HZ3      TRP  24  29.723 -16.560   5.433
  207    HH2  TRP  24           HH2      TRP  24  29.690 -19.018   5.754
  208    H    LEU  25           HN       LEU  25  28.309 -14.861   1.233
  209    HA   LEU  25           HA       LEU  25  26.887 -16.685   2.490
  210    HB2  LEU  25           HB2      LEU  25  26.307 -13.846   1.923
  211    HB3  LEU  25           HB1      LEU  25  24.977 -14.793   2.581
  212    HG   LEU  25           HG       LEU  25  27.717 -14.952   3.822
  213   HD11  LEU  25          HD11      LEU  25  27.149 -12.554   3.686
  214   HD12  LEU  25          HD12      LEU  25  27.085 -13.128   5.352
  215   HD13  LEU  25          HD13      LEU  25  25.592 -12.881   4.445
  216   HD21  LEU  25          HD21      LEU  25  26.272 -15.327   5.879
  217   HD22  LEU  25          HD22      LEU  25  26.129 -16.582   4.650
  218   HD23  LEU  25          HD23      LEU  25  24.872 -15.355   4.811
  219    H    PHE  26           HN       PHE  26  25.395 -14.985  -0.287
  220    HA   PHE  26           HA       PHE  26  23.108 -16.682  -0.300
  221    HB2  PHE  26           HB2      PHE  26  24.059 -15.170  -2.711
  222    HB3  PHE  26           HB1      PHE  26  22.408 -15.478  -2.180
  223    HD1  PHE  26           HD2      PHE  26  22.234 -14.705   0.540
  224    HD2  PHE  26           HD1      PHE  26  24.575 -12.905  -2.586
  225    HE1  PHE  26           HE2      PHE  26  22.201 -12.547   1.757
  226    HE2  PHE  26           HE1      PHE  26  24.542 -10.747  -1.362
  227    HZ   PHE  26           HZ       PHE  26  23.358 -10.567   0.810
  228    H    LYS  27           HN       LYS  27  25.616 -16.361  -2.791
  229    HA   LYS  27           HA       LYS  27  24.977 -18.522  -4.347
  230    HB2  LYS  27           HB2      LYS  27  27.588 -17.179  -3.739
  231    HB3  LYS  27           HB1      LYS  27  27.542 -18.585  -4.797
  232    HG2  LYS  27           HG2      LYS  27  27.358 -16.377  -6.010
  233    HG3  LYS  27           HG1      LYS  27  26.023 -17.484  -6.320
  234    HD2  LYS  27           HD2      LYS  27  24.584 -16.277  -4.793
  235    HD3  LYS  27           HD1      LYS  27  25.931 -15.278  -4.245
  236    HE2  LYS  27           HE2      LYS  27  26.102 -14.178  -6.354
  237    HE3  LYS  27           HE1      LYS  27  25.037 -15.353  -7.129
  238    HZ1  LYS  27           HZ1      LYS  27  24.146 -13.042  -6.315
  239    HZ2  LYS  27           HZ2      LYS  27  24.011 -13.856  -4.830
  240    HZ3  LYS  27           HZ3      LYS  27  23.190 -14.438  -6.199
  241    H    TYR  28           HN       TYR  28  25.835 -18.754  -1.114
  242    HA   TYR  28           HA       TYR  28  26.666 -21.575  -1.465
  243    HB2  TYR  28           HB2      TYR  28  28.506 -21.047  -0.310
  244    HB3  TYR  28           HB1      TYR  28  27.894 -19.435   0.051
  245    HD1  TYR  28           HD1      TYR  28  27.306 -23.012   1.020
  246    HD2  TYR  28           HD2      TYR  28  27.416 -18.907   2.267
  247    HE1  TYR  28           HE1      TYR  28  26.854 -23.708   3.358
  248    HE2  TYR  28           HE2      TYR  28  26.960 -19.598   4.603
  249    HH   TYR  28           HH       TYR  28  26.149 -21.375   5.867
  250    H    LEU  29           HN       LEU  29  24.985 -19.321   0.749
  251    HA   LEU  29           HA       LEU  29  23.643 -21.583   2.009
  252    HB2  LEU  29           HB2      LEU  29  23.448 -20.240   3.796
  253    HB3  LEU  29           HB1      LEU  29  24.474 -19.109   2.940
  254    HG   LEU  29           HG       LEU  29  22.339 -18.144   1.904
  255   HD11  LEU  29          HD11      LEU  29  20.653 -18.897   4.112
  256   HD12  LEU  29          HD12      LEU  29  21.204 -20.363   3.299
  257   HD13  LEU  29          HD13      LEU  29  20.354 -19.116   2.388
  258   HD21  LEU  29          HD21      LEU  29  23.605 -17.067   3.731
  259   HD22  LEU  29          HD22      LEU  29  22.687 -18.004   4.910
  260   HD23  LEU  29          HD23      LEU  29  21.869 -16.806   3.909
  261    H    GLN  30           HN       GLN  30  22.906 -18.945  -0.196
  262    HA   GLN  30           HA       GLN  30  20.066 -19.557  -0.218
  263    HB2  GLN  30           HB2      GLN  30  20.743 -17.251  -0.500
  264    HB3  GLN  30           HB1      GLN  30  21.742 -17.680  -1.887
  265    HG2  GLN  30           HG2      GLN  30  19.917 -18.074  -3.268
  266    HG3  GLN  30           HG1      GLN  30  18.833 -18.386  -1.916
  267   HE21  GLN  30          HE21      GLN  30  20.690 -15.600  -1.247
  268   HE22  GLN  30          HE22      GLN  30  19.558 -14.443  -1.749
  269    H    LYS  31           HN       LYS  31  22.813 -20.843  -1.647
  270    HA   LYS  31           HA       LYS  31  21.267 -21.907  -3.937
  271    HB2  LYS  31           HB2      LYS  31  24.100 -21.060  -3.626
  272    HB3  LYS  31           HB1      LYS  31  23.788 -22.463  -4.646
  273    HG2  LYS  31           HG2      LYS  31  23.740 -20.346  -5.945
  274    HG3  LYS  31           HG1      LYS  31  22.183 -21.174  -5.975
  275    HD2  LYS  31           HD2      LYS  31  21.183 -19.637  -4.531
  276    HD3  LYS  31           HD1      LYS  31  22.727 -19.122  -3.851
  277    HE2  LYS  31           HE2      LYS  31  23.303 -17.943  -5.884
  278    HE3  LYS  31           HE1      LYS  31  21.890 -18.595  -6.715
  279    HZ1  LYS  31           HZ1      LYS  31  21.401 -17.158  -4.230
  280    HZ2  LYS  31           HZ2      LYS  31  20.502 -17.178  -5.672
  281    HZ3  LYS  31           HZ3      LYS  31  21.903 -16.224  -5.553
  282    H    LYS  32           HN       LYS  32  21.693 -22.790  -0.998
  283    HA   LYS  32           HA       LYS  32  23.190 -25.030  -0.660
  284    HB2  LYS  32           HB2      LYS  32  20.873 -23.936   0.558
  285    HB3  LYS  32           HB1      LYS  32  20.566 -25.655   0.306
  286    HG2  LYS  32           HG2      LYS  32  22.674 -26.224   1.420
  287    HG3  LYS  32           HG1      LYS  32  23.043 -24.510   1.628
  288    HD2  LYS  32           HD2      LYS  32  20.406 -25.443   2.650
  289    HD3  LYS  32           HD1      LYS  32  21.834 -25.965   3.544
  290    HE2  LYS  32           HE2      LYS  32  22.461 -23.777   4.083
  291    HE3  LYS  32           HE1      LYS  32  21.547 -23.082   2.744
  292    HZ1  LYS  32           HZ1      LYS  32  20.147 -24.519   4.899
  293    HZ2  LYS  32           HZ2      LYS  32  19.564 -23.306   3.862
  294    HZ3  LYS  32           HZ3      LYS  32  20.621 -22.907   5.129
  Start of MODEL   44
    1    H1   LYS   1           HT1      LYS   1  20.763  15.500  -1.409
    2    H2   LYS   1           HT2      LYS   1  19.066  15.524  -1.479
    3    H3   LYS   1           HT3      LYS   1  19.944  16.975  -1.574
    4    HA   LYS   1           HA       LYS   1  18.992  15.818  -3.713
    5    HB2  LYS   1           HB2      LYS   1  20.685  17.004  -4.980
    6    HB3  LYS   1           HB1      LYS   1  20.319  17.947  -3.537
    7    HG2  LYS   1           HG2      LYS   1  22.295  16.501  -2.504
    8    HG3  LYS   1           HG1      LYS   1  22.775  16.373  -4.198
    9    HD2  LYS   1           HD2      LYS   1  22.621  18.877  -4.363
   10    HD3  LYS   1           HD1      LYS   1  22.337  18.925  -2.623
   11    HE2  LYS   1           HE2      LYS   1  24.575  17.291  -2.874
   12    HE3  LYS   1           HE1      LYS   1  24.842  18.551  -4.079
   13    HZ1  LYS   1           HZ1      LYS   1  24.203  20.157  -2.249
   14    HZ2  LYS   1           HZ2      LYS   1  25.716  19.398  -2.101
   15    HZ3  LYS   1           HZ3      LYS   1  24.399  18.861  -1.171
   16    H    LYS   2           HN       LYS   2  21.718  14.570  -1.952
   17    HA   LYS   2           HA       LYS   2  22.272  12.602  -4.075
   18    HB2  LYS   2           HB2      LYS   2  24.195  13.873  -3.152
   19    HB3  LYS   2           HB1      LYS   2  23.843  13.208  -1.558
   20    HG2  LYS   2           HG2      LYS   2  23.924  11.057  -3.461
   21    HG3  LYS   2           HG1      LYS   2  25.391  12.024  -3.627
   22    HD2  LYS   2           HD2      LYS   2  24.329  10.985  -0.984
   23    HD3  LYS   2           HD1      LYS   2  25.598  10.197  -1.921
   24    HE2  LYS   2           HE2      LYS   2  26.201  13.004  -1.636
   25    HE3  LYS   2           HE1      LYS   2  25.907  12.293  -0.049
   26    HZ1  LYS   2           HZ1      LYS   2  28.252  12.164  -1.176
   27    HZ2  LYS   2           HZ2      LYS   2  27.572  10.811  -1.948
   28    HZ3  LYS   2           HZ3      LYS   2  27.655  10.873  -0.252
   29    H    HIS   3           HN       HIS   3  22.579  12.348  -0.548
   30    HA   HIS   3           HA       HIS   3  20.409  10.546  -0.191
   31    HB2  HIS   3           HB2      HIS   3  22.103   9.167  -1.542
   32    HB3  HIS   3           HB1      HIS   3  23.102   9.195  -0.090
   33    HD2  HIS   3           HD2      HIS   3  22.609   6.452   0.502
   34    HE1  HIS   3           HE1      HIS   3  18.460   6.891   1.149
   35    HE2  HIS   3           HE2      HIS   3  20.430   5.304   1.368
   36    H    THR   4           HN       THR   4  21.148   9.088   1.944
   37    HA   THR   4           HA       THR   4  21.478  11.093   3.986
   38    HB   THR   4           HB       THR   4  19.952   9.331   4.484
   39    HG1  THR   4           HG1      THR   4  21.832   9.924   6.032
   40   HG21  THR   4          HG21      THR   4  21.409   6.970   4.647
   41   HG22  THR   4          HG22      THR   4  21.994   7.715   3.160
   42   HG23  THR   4          HG23      THR   4  20.273   7.395   3.367
   43    H    ILE   5           HN       ILE   5  22.943   8.213   4.928
   44    HA   ILE   5           HA       ILE   5  25.648   9.367   4.593
   45    HB   ILE   5           HB       ILE   5  26.123   8.032   6.749
   46   HG12  ILE   5          HG12      ILE   5  23.338   8.496   7.577
   47   HG13  ILE   5          HG11      ILE   5  23.517   7.209   6.386
   48   HG21  ILE   5          HG21      ILE   5  26.265  10.310   7.078
   49   HG22  ILE   5          HG22      ILE   5  24.840   9.975   8.061
   50   HG23  ILE   5          HG23      ILE   5  24.653  10.612   6.428
   51   HD11  ILE   5          HD11      ILE   5  23.729   6.499   8.829
   52   HD12  ILE   5          HD12      ILE   5  25.254   7.384   8.849
   53   HD13  ILE   5          HD13      ILE   5  25.047   6.009   7.765
   54    H    TRP   6           HN       TRP   6  23.566   6.610   4.334
   55    HA   TRP   6           HA       TRP   6  25.212   4.438   4.284
   56    HB2  TRP   6           HB2      TRP   6  22.711   5.171   3.036
   57    HB3  TRP   6           HB1      TRP   6  23.676   4.182   1.939
   58    HD1  TRP   6           HD1      TRP   6  22.657   1.849   2.189
   59    HE1  TRP   6           HE1      TRP   6  22.234   0.239   4.151
   60    HE3  TRP   6           HE3      TRP   6  23.815   4.913   6.095
   61    HZ2  TRP   6           HZ2      TRP   6  22.368   0.252   7.003
   62    HZ3  TRP   6           HZ3      TRP   6  23.658   4.093   8.429
   63    HH2  TRP   6           HH2      TRP   6  22.937   1.765   8.888
   64    H    GLU   7           HN       GLU   7  24.541   6.376   1.362
   65    HA   GLU   7           HA       GLU   7  26.459   5.269  -0.291
   66    HB2  GLU   7           HB2      GLU   7  25.027   7.853  -0.156
   67    HB3  GLU   7           HB1      GLU   7  26.472   7.812  -1.166
   68    HG2  GLU   7           HG2      GLU   7  24.326   5.694  -1.354
   69    HG3  GLU   7           HG1      GLU   7  24.257   7.177  -2.303
   70    H    VAL   8           HN       VAL   8  26.989   7.051   2.541
   71    HA   VAL   8           HA       VAL   8  29.676   7.891   1.695
   72    HB   VAL   8           HB       VAL   8  28.420   8.511   4.360
   73   HG11  VAL   8          HG11      VAL   8  30.144  10.413   2.886
   74   HG12  VAL   8          HG12      VAL   8  30.934   8.925   3.406
   75   HG13  VAL   8          HG13      VAL   8  30.155   9.971   4.593
   76   HG21  VAL   8          HG21      VAL   8  26.835   9.211   2.587
   77   HG22  VAL   8          HG22      VAL   8  28.142  10.061   1.763
   78   HG23  VAL   8          HG23      VAL   8  27.594  10.610   3.345
   79    H    ILE   9           HN       ILE   9  28.008   5.861   4.071
   80    HA   ILE   9           HA       ILE   9  30.614   4.726   4.853
   81    HB   ILE   9           HB       ILE   9  29.753   5.528   6.830
   82   HG12  ILE   9          HG12      ILE   9  29.795   2.816   6.669
   83   HG13  ILE   9          HG11      ILE   9  29.436   3.698   8.139
   84   HG21  ILE   9          HG21      ILE   9  27.735   6.476   6.080
   85   HG22  ILE   9          HG22      ILE   9  27.282   5.393   7.389
   86   HG23  ILE   9          HG23      ILE   9  27.029   4.904   5.711
   87   HD11  ILE   9          HD11      ILE   9  27.243   2.901   6.218
   88   HD12  ILE   9          HD12      ILE   9  27.092   3.404   7.896
   89   HD13  ILE   9          HD13      ILE   9  27.794   1.837   7.506
   90    H    ALA  10           HN       ALA  10  27.238   3.905   4.120
   91    HA   ALA  10           HA       ALA  10  27.697   1.086   4.036
   92    HB1  ALA  10           HB1      ALA  10  25.514   2.693   2.685
   93    HB2  ALA  10           HB2      ALA  10  25.455   2.113   4.351
   94    HB3  ALA  10           HB3      ALA  10  25.491   0.959   3.018
   95    H    GLY  11           HN       GLY  11  26.871   3.282   1.337
   96    HA2  GLY  11           HA2      GLY  11  27.582   1.592  -0.741
   97    HA3  GLY  11           HA1      GLY  11  27.657   3.349  -0.836
   98    H    LEU  12           HN       LEU  12  29.522   2.984   1.640
   99    HA   LEU  12           HA       LEU  12  31.966   2.717   0.037
  100    HB2  LEU  12           HB2      LEU  12  31.468   4.838   1.384
  101    HB3  LEU  12           HB1      LEU  12  31.777   3.863   2.820
  102    HG   LEU  12           HG       LEU  12  33.935   3.210   1.282
  103   HD11  LEU  12          HD11      LEU  12  34.775   5.133   0.152
  104   HD12  LEU  12          HD12      LEU  12  33.545   6.180   0.860
  105   HD13  LEU  12          HD13      LEU  12  33.095   4.992  -0.365
  106   HD21  LEU  12          HD21      LEU  12  35.183   4.797   2.732
  107   HD22  LEU  12          HD22      LEU  12  33.976   3.891   3.646
  108   HD23  LEU  12          HD23      LEU  12  33.660   5.562   3.183
  109    H    VAL  13           HN       VAL  13  30.183   1.341   2.690
  110    HA   VAL  13           HA       VAL  13  32.429  -0.509   3.242
  111    HB   VAL  13           HB       VAL  13  30.093   0.272   4.997
  112   HG11  VAL  13          HG11      VAL  13  32.268  -1.806   5.290
  113   HG12  VAL  13          HG12      VAL  13  30.525  -2.025   5.447
  114   HG13  VAL  13          HG13      VAL  13  31.417  -1.138   6.684
  115   HG21  VAL  13          HG21      VAL  13  33.030   0.586   5.598
  116   HG22  VAL  13          HG22      VAL  13  31.664   1.453   6.294
  117   HG23  VAL  13          HG23      VAL  13  32.184   1.805   4.647
  118    H    ALA  14           HN       ALA  14  28.858  -0.434   3.095
  119    HA   ALA  14           HA       ALA  14  28.289  -3.106   3.155
  120    HB1  ALA  14           HB1      ALA  14  26.964  -0.755   2.240
  121    HB2  ALA  14           HB2      ALA  14  26.251  -2.310   2.664
  122    HB3  ALA  14           HB3      ALA  14  26.761  -1.998   1.006
  123    H    LEU  15           HN       LEU  15  29.277  -1.246   0.279
  124    HA   LEU  15           HA       LEU  15  29.278  -3.426  -1.517
  125    HB2  LEU  15           HB2      LEU  15  31.024  -0.952  -1.601
  126    HB3  LEU  15           HB1      LEU  15  30.616  -1.996  -2.964
  127    HG   LEU  15           HG       LEU  15  28.630  -0.412  -1.317
  128   HD11  LEU  15          HD11      LEU  15  30.319   0.649  -3.139
  129   HD12  LEU  15          HD12      LEU  15  28.666   1.226  -2.927
  130   HD13  LEU  15          HD13      LEU  15  29.043   0.089  -4.220
  131   HD21  LEU  15          HD21      LEU  15  28.386  -2.421  -3.526
  132   HD22  LEU  15          HD22      LEU  15  27.235  -1.089  -3.469
  133   HD23  LEU  15          HD23      LEU  15  27.370  -2.197  -2.103
  134    H    LEU  16           HN       LEU  16  31.553  -2.260   0.833
  135    HA   LEU  16           HA       LEU  16  33.602  -4.163  -0.047
  136    HB2  LEU  16           HB2      LEU  16  33.802  -2.218   2.246
  137    HB3  LEU  16           HB1      LEU  16  35.113  -2.977   1.339
  138    HG   LEU  16           HG       LEU  16  33.146  -0.920   0.299
  139   HD11  LEU  16          HD11      LEU  16  35.154  -0.223   1.751
  140   HD12  LEU  16          HD12      LEU  16  35.013   0.547   0.171
  141   HD13  LEU  16          HD13      LEU  16  36.162  -0.769   0.410
  142   HD21  LEU  16          HD21      LEU  16  34.739  -1.110  -1.747
  143   HD22  LEU  16          HD22      LEU  16  33.503  -2.350  -1.538
  144   HD23  LEU  16          HD23      LEU  16  35.172  -2.681  -1.073
  145    H    THR  17           HN       THR  17  30.905  -4.393   1.671
  146    HA   THR  17           HA       THR  17  32.012  -6.486   3.410
  147    HB   THR  17           HB       THR  17  30.258  -4.199   4.307
  148    HG1  THR  17           HG1      THR  17  32.814  -4.672   4.424
  149   HG21  THR  17          HG21      THR  17  30.555  -6.978   5.364
  150   HG22  THR  17          HG22      THR  17  29.144  -5.921   5.370
  151   HG23  THR  17          HG23      THR  17  30.449  -5.656   6.526
  152    H    PHE  18           HN       PHE  18  28.812  -4.972   3.054
  153    HA   PHE  18           HA       PHE  18  27.259  -7.220   3.208
  154    HB2  PHE  18           HB2      PHE  18  26.607  -4.711   2.889
  155    HB3  PHE  18           HB1      PHE  18  26.579  -5.119   1.175
  156    HD1  PHE  18           HD1      PHE  18  25.400  -6.508   4.457
  157    HD2  PHE  18           HD2      PHE  18  24.574  -5.925   0.280
  158    HE1  PHE  18           HE1      PHE  18  23.173  -7.555   4.751
  159    HE2  PHE  18           HE2      PHE  18  22.347  -6.973   0.577
  160    HZ   PHE  18           HZ       PHE  18  21.644  -7.789   2.811
  161    H    LEU  19           HN       LEU  19  28.733  -5.875   0.261
  162    HA   LEU  19           HA       LEU  19  27.767  -7.995  -1.421
  163    HB2  LEU  19           HB2      LEU  19  29.688  -5.713  -1.755
  164    HB3  LEU  19           HB1      LEU  19  29.607  -6.974  -2.979
  165    HG   LEU  19           HG       LEU  19  28.100  -4.983  -3.410
  166   HD11  LEU  19          HD11      LEU  19  27.577  -7.734  -3.735
  167   HD12  LEU  19          HD12      LEU  19  26.808  -6.402  -4.594
  168   HD13  LEU  19          HD13      LEU  19  26.076  -7.042  -3.124
  169   HD21  LEU  19          HD21      LEU  19  26.212  -4.581  -2.038
  170   HD22  LEU  19          HD22      LEU  19  27.540  -4.818  -0.904
  171   HD23  LEU  19          HD23      LEU  19  26.391  -6.120  -1.196
  172    H    ALA  20           HN       ALA  20  30.976  -7.134  -0.120
  173    HA   ALA  20           HA       ALA  20  32.539  -9.114  -1.145
  174    HB1  ALA  20           HB1      ALA  20  33.263  -9.040   1.568
  175    HB2  ALA  20           HB2      ALA  20  32.603  -7.443   1.213
  176    HB3  ALA  20           HB3      ALA  20  33.945  -8.075   0.259
  177    H    PHE  21           HN       PHE  21  30.636  -9.432   1.868
  178    HA   PHE  21           HA       PHE  21  31.109 -12.284   1.962
  179    HB2  PHE  21           HB2      PHE  21  29.433 -10.413   3.642
  180    HB3  PHE  21           HB1      PHE  21  29.532 -12.150   3.932
  181    HD1  PHE  21           HD1      PHE  21  31.730  -9.156   3.421
  182    HD2  PHE  21           HD2      PHE  21  31.241 -12.990   5.297
  183    HE1  PHE  21           HE1      PHE  21  33.865  -8.832   4.640
  184    HE2  PHE  21           HE2      PHE  21  33.376 -12.666   6.517
  185    HZ   PHE  21           HZ       PHE  21  34.687 -10.587   6.188
  186    H    GLY  22           HN       GLY  22  28.455 -10.099   1.170
  187    HA2  GLY  22           HA2      GLY  22  26.334 -11.866   0.953
  188    HA3  GLY  22           HA1      GLY  22  26.539 -10.437  -0.054
  189    H    PHE  23           HN       PHE  23  28.854 -11.125  -1.421
  190    HA   PHE  23           HA       PHE  23  27.905 -12.550  -3.600
  191    HB2  PHE  23           HB2      PHE  23  30.355 -11.312  -2.842
  192    HB3  PHE  23           HB1      PHE  23  30.732 -12.922  -3.455
  193    HD1  PHE  23           HD1      PHE  23  29.079 -13.578  -5.555
  194    HD2  PHE  23           HD2      PHE  23  30.379  -9.631  -4.460
  195    HE1  PHE  23           HE1      PHE  23  28.673 -12.799  -7.874
  196    HE2  PHE  23           HE2      PHE  23  29.974  -8.855  -6.776
  197    HZ   PHE  23           HZ       PHE  23  29.118 -10.439  -8.486
  198    H    TRP  24           HN       TRP  24  28.949 -13.717  -0.574
  199    HA   TRP  24           HA       TRP  24  29.282 -16.447  -1.636
  200    HB2  TRP  24           HB2      TRP  24  31.244 -15.836  -0.446
  201    HB3  TRP  24           HB1      TRP  24  30.307 -15.121   0.869
  202    HD1  TRP  24           HD1      TRP  24  30.444 -18.576  -0.856
  203    HE1  TRP  24           HE1      TRP  24  30.310 -20.395   0.973
  204    HE3  TRP  24           HE3      TRP  24  30.080 -15.627   3.277
  205    HZ2  TRP  24           HZ2      TRP  24  30.078 -20.564   3.815
  206    HZ3  TRP  24           HZ3      TRP  24  29.902 -16.636   5.538
  207    HH2  TRP  24           HH2      TRP  24  29.901 -19.098   5.810
  208    H    LEU  25           HN       LEU  25  28.223 -14.932   1.405
  209    HA   LEU  25           HA       LEU  25  26.781 -16.740   2.660
  210    HB2  LEU  25           HB2      LEU  25  26.249 -13.875   2.137
  211    HB3  LEU  25           HB1      LEU  25  24.907 -14.805   2.803
  212    HG   LEU  25           HG       LEU  25  27.676 -14.989   3.979
  213   HD11  LEU  25          HD11      LEU  25  27.113 -12.624   4.029
  214   HD12  LEU  25          HD12      LEU  25  26.914 -13.287   5.650
  215   HD13  LEU  25          HD13      LEU  25  25.499 -12.986   4.641
  216   HD21  LEU  25          HD21      LEU  25  26.672 -16.242   5.586
  217   HD22  LEU  25          HD22      LEU  25  25.332 -16.388   4.451
  218   HD23  LEU  25          HD23      LEU  25  25.298 -15.145   5.699
  219    H    PHE  26           HN       PHE  26  25.321 -14.959  -0.073
  220    HA   PHE  26           HA       PHE  26  23.020 -16.673  -0.165
  221    HB2  PHE  26           HB2      PHE  26  23.964 -14.970  -2.453
  222    HB3  PHE  26           HB1      PHE  26  22.312 -15.356  -1.974
  223    HD1  PHE  26           HD1      PHE  26  22.057 -14.769   0.774
  224    HD2  PHE  26           HD2      PHE  26  24.446 -12.720  -2.152
  225    HE1  PHE  26           HE1      PHE  26  21.967 -12.709   2.147
  226    HE2  PHE  26           HE2      PHE  26  24.350 -10.656  -0.777
  227    HZ   PHE  26           HZ       PHE  26  23.119 -10.654   1.374
  228    H    LYS  27           HN       LYS  27  25.558 -16.109  -2.585
  229    HA   LYS  27           HA       LYS  27  25.004 -18.125  -4.327
  230    HB2  LYS  27           HB2      LYS  27  27.603 -16.905  -3.466
  231    HB3  LYS  27           HB1      LYS  27  27.584 -18.198  -4.657
  232    HG2  LYS  27           HG2      LYS  27  27.523 -15.928  -5.707
  233    HG3  LYS  27           HG1      LYS  27  26.111 -16.903  -6.110
  234    HD2  LYS  27           HD2      LYS  27  24.747 -15.715  -4.525
  235    HD3  LYS  27           HD1      LYS  27  26.155 -14.890  -3.849
  236    HE2  LYS  27           HE2      LYS  27  24.807 -13.482  -5.447
  237    HE3  LYS  27           HE1      LYS  27  26.502 -13.664  -5.899
  238    HZ1  LYS  27           HZ1      LYS  27  25.958 -14.755  -7.742
  239    HZ2  LYS  27           HZ2      LYS  27  24.370 -14.207  -7.488
  240    HZ3  LYS  27           HZ3      LYS  27  24.837 -15.747  -6.945
  241    H    TYR  28           HN       TYR  28  25.903 -18.547  -1.081
  242    HA   TYR  28           HA       TYR  28  26.635 -21.376  -1.581
  243    HB2  TYR  28           HB2      TYR  28  28.479 -20.900  -0.393
  244    HB3  TYR  28           HB1      TYR  28  27.844 -19.338   0.115
  245    HD1  TYR  28           HD2      TYR  28  27.356 -22.999   0.732
  246    HD2  TYR  28           HD1      TYR  28  27.251 -19.025   2.355
  247    HE1  TYR  28           HE2      TYR  28  26.888 -23.932   2.982
  248    HE2  TYR  28           HE1      TYR  28  26.783 -19.956   4.606
  249    HH   TYR  28           HH       TYR  28  25.590 -22.613   5.282
  250    H    LEU  29           HN       LEU  29  25.052 -19.227   0.791
  251    HA   LEU  29           HA       LEU  29  23.703 -21.478   2.001
  252    HB2  LEU  29           HB2      LEU  29  24.585 -19.329   3.176
  253    HB3  LEU  29           HB1      LEU  29  23.092 -18.593   2.597
  254    HG   LEU  29           HG       LEU  29  22.321 -21.059   3.725
  255   HD11  LEU  29          HD11      LEU  29  23.221 -20.862   6.022
  256   HD12  LEU  29          HD12      LEU  29  24.267 -19.546   5.490
  257   HD13  LEU  29          HD13      LEU  29  24.503 -21.173   4.851
  258   HD21  LEU  29          HD21      LEU  29  22.219 -18.251   4.868
  259   HD22  LEU  29          HD22      LEU  29  21.188 -19.598   5.352
  260   HD23  LEU  29          HD23      LEU  29  21.060 -18.930   3.725
  261    H    GLN  30           HN       GLN  30  23.006 -19.056  -0.362
  262    HA   GLN  30           HA       GLN  30  20.132 -19.644  -0.276
  263    HB2  GLN  30           HB2      GLN  30  20.761 -17.290  -0.428
  264    HB3  GLN  30           HB1      GLN  30  21.716 -17.613  -1.871
  265    HG2  GLN  30           HG2      GLN  30  19.897 -17.747  -3.223
  266    HG3  GLN  30           HG1      GLN  30  18.904 -18.521  -1.985
  267   HE21  GLN  30          HE21      GLN  30  20.595 -15.533  -1.190
  268   HE22  GLN  30          HE22      GLN  30  19.215 -14.545  -1.173
  269    H    LYS  31           HN       LYS  31  22.442 -21.412  -1.286
  270    HA   LYS  31           HA       LYS  31  21.219 -22.042  -3.904
  271    HB2  LYS  31           HB2      LYS  31  23.985 -21.402  -3.284
  272    HB3  LYS  31           HB1      LYS  31  23.843 -23.011  -3.986
  273    HG2  LYS  31           HG2      LYS  31  24.121 -21.451  -5.802
  274    HG3  LYS  31           HG1      LYS  31  22.448 -21.994  -5.836
  275    HD2  LYS  31           HD2      LYS  31  22.575 -19.737  -4.097
  276    HD3  LYS  31           HD1      LYS  31  23.450 -19.323  -5.568
  277    HE2  LYS  31           HE2      LYS  31  21.491 -20.138  -6.904
  278    HE3  LYS  31           HE1      LYS  31  20.608 -20.357  -5.393
  279    HZ1  LYS  31           HZ1      LYS  31  21.764 -17.800  -6.363
  280    HZ2  LYS  31           HZ2      LYS  31  20.911 -18.014  -4.909
  281    HZ3  LYS  31           HZ3      LYS  31  20.120 -18.217  -6.398
  282    H    LYS  32           HN       LYS  32  21.452 -23.068  -0.852
  283    HA   LYS  32           HA       LYS  32  21.892 -25.901  -1.542
  284    HB2  LYS  32           HB2      LYS  32  21.905 -26.200   0.985
  285    HB3  LYS  32           HB1      LYS  32  23.251 -25.293   0.302
  286    HG2  LYS  32           HG2      LYS  32  22.462 -24.110   2.262
  287    HG3  LYS  32           HG1      LYS  32  22.030 -23.171   0.840
  288    HD2  LYS  32           HD2      LYS  32  19.764 -23.631   1.053
  289    HD3  LYS  32           HD1      LYS  32  20.045 -25.159   1.889
  290    HE2  LYS  32           HE2      LYS  32  20.526 -22.406   3.061
  291    HE3  LYS  32           HE1      LYS  32  19.153 -23.449   3.430
  292    HZ1  LYS  32           HZ1      LYS  32  20.372 -24.620   4.844
  293    HZ2  LYS  32           HZ2      LYS  32  21.586 -23.440   4.694
  294    HZ3  LYS  32           HZ3      LYS  32  21.623 -24.830   3.719
  Start of MODEL   45
    1    H1   LYS   1           HT1      LYS   1  27.361  19.339   0.492
    2    H2   LYS   1           HT2      LYS   1  28.335  18.128   1.179
    3    H3   LYS   1           HT3      LYS   1  27.805  19.436   2.125
    4    HA   LYS   1           HA       LYS   1  26.513  17.485   2.650
    5    HB2  LYS   1           HB2      LYS   1  24.531  18.978   1.053
    6    HB3  LYS   1           HB1      LYS   1  24.585  18.684   2.791
    7    HG2  LYS   1           HG2      LYS   1  26.446  20.383   2.938
    8    HG3  LYS   1           HG1      LYS   1  26.146  20.769   1.242
    9    HD2  LYS   1           HD2      LYS   1  23.730  21.208   1.876
   10    HD3  LYS   1           HD1      LYS   1  24.227  21.076   3.564
   11    HE2  LYS   1           HE2      LYS   1  24.710  23.281   3.442
   12    HE3  LYS   1           HE1      LYS   1  26.111  22.802   2.484
   13    HZ1  LYS   1           HZ1      LYS   1  24.353  24.486   1.560
   14    HZ2  LYS   1           HZ2      LYS   1  23.526  23.064   1.133
   15    HZ3  LYS   1           HZ3      LYS   1  25.092  23.350   0.540
   16    H    LYS   2           HN       LYS   2  25.854  15.538   1.955
   17    HA   LYS   2           HA       LYS   2  24.869  15.166  -0.756
   18    HB2  LYS   2           HB2      LYS   2  27.331  14.953  -0.996
   19    HB3  LYS   2           HB1      LYS   2  27.314  13.663   0.207
   20    HG2  LYS   2           HG2      LYS   2  25.316  13.109  -1.786
   21    HG3  LYS   2           HG1      LYS   2  26.854  13.431  -2.585
   22    HD2  LYS   2           HD2      LYS   2  27.953  11.793  -1.054
   23    HD3  LYS   2           HD1      LYS   2  26.371  11.419  -0.367
   24    HE2  LYS   2           HE2      LYS   2  25.968   9.981  -2.045
   25    HE3  LYS   2           HE1      LYS   2  26.166  11.279  -3.220
   26    HZ1  LYS   2           HZ1      LYS   2  28.013  10.271  -3.868
   27    HZ2  LYS   2           HZ2      LYS   2  27.932   9.151  -2.592
   28    HZ3  LYS   2           HZ3      LYS   2  28.706  10.647  -2.366
   29    H    HIS   3           HN       HIS   3  23.046  14.090  -0.385
   30    HA   HIS   3           HA       HIS   3  21.500  12.732   0.671
   31    HB2  HIS   3           HB2      HIS   3  21.840  10.672  -0.173
   32    HB3  HIS   3           HB1      HIS   3  23.355  11.320  -0.798
   33    HD2  HIS   3           HD2      HIS   3  22.543   8.239   0.913
   34    HE1  HIS   3           HE1      HIS   3  25.978   9.500   3.014
   35    HE2  HIS   3           HE2      HIS   3  24.428   7.535   2.575
   36    H    THR   4           HN       THR   4  21.715  10.554   2.367
   37    HA   THR   4           HA       THR   4  22.094  11.857   4.882
   38    HB   THR   4           HB       THR   4  20.384  10.231   4.846
   39    HG1  THR   4           HG1      THR   4  21.328   9.941   6.747
   40   HG21  THR   4          HG21      THR   4  21.007   8.970   2.875
   41   HG22  THR   4          HG22      THR   4  20.846   7.843   4.220
   42   HG23  THR   4          HG23      THR   4  22.444   8.340   3.679
   43    H    ILE   5           HN       ILE   5  23.228   8.741   5.285
   44    HA   ILE   5           HA       ILE   5  26.049   9.647   5.334
   45    HB   ILE   5           HB       ILE   5  26.218   7.982   7.282
   46   HG12  ILE   5          HG12      ILE   5  23.408   8.547   7.944
   47   HG13  ILE   5          HG11      ILE   5  23.612   7.441   6.586
   48   HG21  ILE   5          HG21      ILE   5  24.965  10.691   7.263
   49   HG22  ILE   5          HG22      ILE   5  26.493  10.169   7.972
   50   HG23  ILE   5          HG23      ILE   5  24.970   9.800   8.786
   51   HD11  ILE   5          HD11      ILE   5  23.541   6.387   8.928
   52   HD12  ILE   5          HD12      ILE   5  25.140   7.090   9.164
   53   HD13  ILE   5          HD13      ILE   5  24.877   5.909   7.882
   54    H    TRP   6           HN       TRP   6  23.770   7.180   4.476
   55    HA   TRP   6           HA       TRP   6  25.199   4.884   4.222
   56    HB2  TRP   6           HB2      TRP   6  22.948   6.074   2.868
   57    HB3  TRP   6           HB1      TRP   6  23.929   5.150   1.732
   58    HD1  TRP   6           HD1      TRP   6  22.601   2.978   1.509
   59    HE1  TRP   6           HE1      TRP   6  21.819   1.141   3.131
   60    HE3  TRP   6           HE3      TRP   6  23.742   5.200   5.955
   61    HZ2  TRP   6           HZ2      TRP   6  21.697   0.676   5.945
   62    HZ3  TRP   6           HZ3      TRP   6  23.284   4.040   8.093
   63    HH2  TRP   6           HH2      TRP   6  22.262   1.780   8.096
   64    H    GLU   7           HN       GLU   7  25.021   7.095   1.426
   65    HA   GLU   7           HA       GLU   7  27.104   5.999  -0.008
   66    HB2  GLU   7           HB2      GLU   7  26.142   8.851   0.130
   67    HB3  GLU   7           HB1      GLU   7  27.354   8.302  -1.025
   68    HG2  GLU   7           HG2      GLU   7  25.025   6.539  -0.935
   69    HG3  GLU   7           HG1      GLU   7  24.600   8.191  -1.380
   70    H    VAL   8           HN       VAL   8  27.390   7.466   3.022
   71    HA   VAL   8           HA       VAL   8  30.195   8.217   2.534
   72    HB   VAL   8           HB       VAL   8  28.572   8.752   5.028
   73   HG11  VAL   8          HG11      VAL   8  30.950   8.740   5.450
   74   HG12  VAL   8          HG12      VAL   8  30.413  10.419   5.393
   75   HG13  VAL   8          HG13      VAL   8  31.253   9.715   4.011
   76   HG21  VAL   8          HG21      VAL   8  27.748  10.627   4.054
   77   HG22  VAL   8          HG22      VAL   8  28.232   9.920   2.513
   78   HG23  VAL   8          HG23      VAL   8  29.313  11.029   3.353
   79    H    ILE   9           HN       ILE   9  28.165   5.999   4.363
   80    HA   ILE   9           HA       ILE   9  30.605   4.629   5.304
   81    HB   ILE   9           HB       ILE   9  29.623   5.253   7.284
   82   HG12  ILE   9          HG12      ILE   9  29.481   2.592   6.802
   83   HG13  ILE   9          HG11      ILE   9  29.020   3.324   8.325
   84   HG21  ILE   9          HG21      ILE   9  27.106   5.262   7.606
   85   HG22  ILE   9          HG22      ILE   9  26.985   5.020   5.859
   86   HG23  ILE   9          HG23      ILE   9  27.775   6.458   6.503
   87   HD11  ILE   9          HD11      ILE   9  26.710   3.246   7.814
   88   HD12  ILE   9          HD12      ILE   9  27.337   1.689   7.284
   89   HD13  ILE   9          HD13      ILE   9  27.007   2.949   6.106
   90    H    ALA  10           HN       ALA  10  27.295   4.205   4.127
   91    HA   ALA  10           HA       ALA  10  27.504   1.375   3.785
   92    HB1  ALA  10           HB1      ALA  10  25.655   3.330   2.396
   93    HB2  ALA  10           HB2      ALA  10  25.335   2.567   3.955
   94    HB3  ALA  10           HB3      ALA  10  25.443   1.581   2.498
   95    H    GLY  11           HN       GLY  11  27.199   3.895   1.266
   96    HA2  GLY  11           HA2      GLY  11  28.029   2.370  -0.892
   97    HA3  GLY  11           HA1      GLY  11  28.262   4.114  -0.775
   98    H    LEU  12           HN       LEU  12  29.763   3.346   1.837
   99    HA   LEU  12           HA       LEU  12  32.364   3.012   0.522
  100    HB2  LEU  12           HB2      LEU  12  31.879   4.995   2.055
  101    HB3  LEU  12           HB1      LEU  12  31.880   3.835   3.384
  102    HG   LEU  12           HG       LEU  12  34.175   3.105   2.180
  103   HD11  LEU  12          HD11      LEU  12  33.933   4.849   0.431
  104   HD12  LEU  12          HD12      LEU  12  35.374   5.108   1.415
  105   HD13  LEU  12          HD13      LEU  12  33.933   6.088   1.686
  106   HD21  LEU  12          HD21      LEU  12  35.310   4.672   3.819
  107   HD22  LEU  12          HD22      LEU  12  34.040   3.671   4.521
  108   HD23  LEU  12          HD23      LEU  12  33.722   5.365   4.149
  109    H    VAL  13           HN       VAL  13  30.145   1.540   2.769
  110    HA   VAL  13           HA       VAL  13  32.095  -0.638   3.256
  111    HB   VAL  13           HB       VAL  13  29.763   0.220   4.988
  112   HG11  VAL  13          HG11      VAL  13  31.801  -2.005   5.192
  113   HG12  VAL  13          HG12      VAL  13  30.043  -2.142   5.216
  114   HG13  VAL  13          HG13      VAL  13  30.891  -1.424   6.586
  115   HG21  VAL  13          HG21      VAL  13  31.330   1.207   6.426
  116   HG22  VAL  13          HG22      VAL  13  31.993   1.611   4.843
  117   HG23  VAL  13          HG23      VAL  13  32.669   0.269   5.764
  118    H    ALA  14           HN       ALA  14  28.567  -0.065   3.091
  119    HA   ALA  14           HA       ALA  14  27.659  -2.621   2.758
  120    HB1  ALA  14           HB1      ALA  14  26.125  -0.741   2.805
  121    HB2  ALA  14           HB2      ALA  14  25.857  -1.655   1.321
  122    HB3  ALA  14           HB3      ALA  14  26.759  -0.139   1.272
  123    H    LEU  15           HN       LEU  15  28.978  -0.513   0.210
  124    HA   LEU  15           HA       LEU  15  28.711  -2.415  -1.877
  125    HB2  LEU  15           HB2      LEU  15  29.059   0.021  -2.258
  126    HB3  LEU  15           HB1      LEU  15  30.701  -0.138  -1.638
  127    HG   LEU  15           HG       LEU  15  31.210  -1.774  -3.434
  128   HD11  LEU  15          HD11      LEU  15  28.301  -1.358  -3.983
  129   HD12  LEU  15          HD12      LEU  15  29.270  -2.825  -4.118
  130   HD13  LEU  15          HD13      LEU  15  29.371  -1.583  -5.366
  131   HD21  LEU  15          HD21      LEU  15  31.926   0.108  -4.448
  132   HD22  LEU  15          HD22      LEU  15  30.593   1.042  -3.768
  133   HD23  LEU  15          HD23      LEU  15  30.375   0.169  -5.285
  134    H    LEU  16           HN       LEU  16  31.121  -1.820   0.579
  135    HA   LEU  16           HA       LEU  16  32.948  -3.795  -0.579
  136    HB2  LEU  16           HB2      LEU  16  33.331  -2.257   1.987
  137    HB3  LEU  16           HB1      LEU  16  34.563  -3.013   0.974
  138    HG   LEU  16           HG       LEU  16  32.863  -0.603   0.277
  139   HD11  LEU  16          HD11      LEU  16  35.870  -0.802   0.323
  140   HD12  LEU  16          HD12      LEU  16  34.966  -0.446   1.794
  141   HD13  LEU  16          HD13      LEU  16  34.861   0.642   0.411
  142   HD21  LEU  16          HD21      LEU  16  34.430  -0.660  -1.795
  143   HD22  LEU  16          HD22      LEU  16  33.059  -1.770  -1.765
  144   HD23  LEU  16          HD23      LEU  16  34.678  -2.356  -1.376
  145    H    THR  17           HN       THR  17  30.223  -3.984   1.124
  146    HA   THR  17           HA       THR  17  31.163  -6.294   2.709
  147    HB   THR  17           HB       THR  17  29.320  -4.068   3.471
  148    HG1  THR  17           HG1      THR  17  30.882  -5.525   5.237
  149   HG21  THR  17          HG21      THR  17  27.819  -5.855   3.818
  150   HG22  THR  17          HG22      THR  17  28.608  -5.661   5.383
  151   HG23  THR  17          HG23      THR  17  29.107  -6.957   4.299
  152    H    PHE  18           HN       PHE  18  28.129  -4.840   1.515
  153    HA   PHE  18           HA       PHE  18  26.479  -6.983   1.411
  154    HB2  PHE  18           HB2      PHE  18  26.174  -4.547   0.500
  155    HB3  PHE  18           HB1      PHE  18  26.653  -5.261  -1.040
  156    HD1  PHE  18           HD2      PHE  18  24.244  -5.625   1.788
  157    HD2  PHE  18           HD1      PHE  18  25.117  -6.523  -2.320
  158    HE1  PHE  18           HE2      PHE  18  21.953  -6.534   1.500
  159    HE2  PHE  18           HE1      PHE  18  22.827  -7.433  -2.609
  160    HZ   PHE  18           HZ       PHE  18  21.246  -7.438  -0.698
  161    H    LEU  19           HN       LEU  19  28.928  -6.192  -1.050
  162    HA   LEU  19           HA       LEU  19  28.397  -8.496  -2.657
  163    HB2  LEU  19           HB2      LEU  19  30.623  -6.477  -2.524
  164    HB3  LEU  19           HB1      LEU  19  30.763  -7.893  -3.561
  165    HG   LEU  19           HG       LEU  19  29.806  -5.846  -4.703
  166   HD11  LEU  19          HD11      LEU  19  27.509  -7.625  -4.887
  167   HD12  LEU  19          HD12      LEU  19  29.019  -8.533  -4.910
  168   HD13  LEU  19          HD13      LEU  19  28.736  -7.261  -6.098
  169   HD21  LEU  19          HD21      LEU  19  27.336  -6.440  -3.066
  170   HD22  LEU  19          HD22      LEU  19  27.633  -5.061  -4.124
  171   HD23  LEU  19          HD23      LEU  19  28.500  -5.200  -2.594
  172    H    ALA  20           HN       ALA  20  31.119  -7.679  -0.493
  173    HA   ALA  20           HA       ALA  20  32.569  -9.990  -0.583
  174    HB1  ALA  20           HB1      ALA  20  32.246  -7.823   1.277
  175    HB2  ALA  20           HB2      ALA  20  33.660  -8.838   0.993
  176    HB3  ALA  20           HB3      ALA  20  32.433  -9.338   2.158
  177    H    PHE  21           HN       PHE  21  29.880  -9.399   1.693
  178    HA   PHE  21           HA       PHE  21  29.814 -12.141   2.549
  179    HB2  PHE  21           HB2      PHE  21  27.969  -9.792   2.994
  180    HB3  PHE  21           HB1      PHE  21  27.663 -11.393   3.669
  181    HD1  PHE  21           HD1      PHE  21  30.359  -8.799   3.424
  182    HD2  PHE  21           HD2      PHE  21  28.612 -11.973   5.731
  183    HE1  PHE  21           HE1      PHE  21  31.930  -8.314   5.281
  184    HE2  PHE  21           HE2      PHE  21  30.183 -11.490   7.587
  185    HZ   PHE  21           HZ       PHE  21  31.842  -9.659   7.363
  186    H    GLY  22           HN       GLY  22  27.725 -10.099   0.516
  187    HA2  GLY  22           HA2      GLY  22  25.701 -11.860  -0.095
  188    HA3  GLY  22           HA1      GLY  22  26.324 -10.668  -1.228
  189    H    PHE  23           HN       PHE  23  28.730 -11.463  -1.949
  190    HA   PHE  23           HA       PHE  23  28.405 -13.408  -3.844
  191    HB2  PHE  23           HB2      PHE  23  30.390 -12.328  -4.176
  192    HB3  PHE  23           HB1      PHE  23  30.756 -12.247  -2.453
  193    HD1  PHE  23           HD1      PHE  23  30.862 -14.370  -5.471
  194    HD2  PHE  23           HD2      PHE  23  31.877 -14.066  -1.308
  195    HE1  PHE  23           HE1      PHE  23  32.322 -16.363  -5.681
  196    HE2  PHE  23           HE2      PHE  23  33.337 -16.058  -1.518
  197    HZ   PHE  23           HZ       PHE  23  33.560 -17.209  -3.706
  198    H    TRP  24           HN       TRP  24  29.235 -13.826  -0.451
  199    HA   TRP  24           HA       TRP  24  29.633 -16.692  -0.764
  200    HB2  TRP  24           HB2      TRP  24  31.102 -15.688   0.800
  201    HB3  TRP  24           HB1      TRP  24  29.786 -14.811   1.584
  202    HD1  TRP  24           HD1      TRP  24  30.564 -18.522   0.808
  203    HE1  TRP  24           HE1      TRP  24  29.912 -19.926   2.873
  204    HE3  TRP  24           HE3      TRP  24  28.807 -14.834   3.849
  205    HZ2  TRP  24           HZ2      TRP  24  28.793 -19.529   5.470
  206    HZ3  TRP  24           HZ3      TRP  24  27.952 -15.367   6.117
  207    HH2  TRP  24           HH2      TRP  24  27.942 -17.708   6.929
  208    H    LEU  25           HN       LEU  25  27.620 -14.740   1.422
  209    HA   LEU  25           HA       LEU  25  25.917 -16.370   2.558
  210    HB2  LEU  25           HB2      LEU  25  25.464 -13.768   1.232
  211    HB3  LEU  25           HB1      LEU  25  24.019 -14.682   1.664
  212    HG   LEU  25           HG       LEU  25  26.271 -14.314   3.621
  213   HD11  LEU  25          HD11      LEU  25  25.090 -12.354   4.521
  214   HD12  LEU  25          HD12      LEU  25  23.894 -12.472   3.231
  215   HD13  LEU  25          HD13      LEU  25  25.569 -12.069   2.847
  216   HD21  LEU  25          HD21      LEU  25  23.954 -15.819   3.686
  217   HD22  LEU  25          HD22      LEU  25  23.475 -14.349   4.530
  218   HD23  LEU  25          HD23      LEU  25  24.853 -15.286   5.105
  219    H    PHE  26           HN       PHE  26  25.300 -15.388  -0.821
  220    HA   PHE  26           HA       PHE  26  23.192 -17.272  -1.130
  221    HB2  PHE  26           HB2      PHE  26  24.744 -16.058  -3.404
  222    HB3  PHE  26           HB1      PHE  26  23.042 -16.521  -3.357
  223    HD1  PHE  26           HD1      PHE  26  21.808 -15.399  -1.151
  224    HD2  PHE  26           HD2      PHE  26  25.095 -13.751  -3.373
  225    HE1  PHE  26           HE1      PHE  26  21.205 -13.132  -0.363
  226    HE2  PHE  26           HE2      PHE  26  24.492 -11.482  -2.581
  227    HZ   PHE  26           HZ       PHE  26  22.547 -11.171  -1.076
  228    H    LYS  27           HN       LYS  27  26.452 -17.185  -2.617
  229    HA   LYS  27           HA       LYS  27  26.240 -19.798  -3.689
  230    HB2  LYS  27           HB2      LYS  27  28.630 -18.043  -3.120
  231    HB3  LYS  27           HB1      LYS  27  28.744 -19.599  -3.943
  232    HG2  LYS  27           HG2      LYS  27  27.547 -18.858  -5.804
  233    HG3  LYS  27           HG1      LYS  27  26.757 -17.563  -4.905
  234    HD2  LYS  27           HD2      LYS  27  28.516 -16.121  -5.171
  235    HD3  LYS  27           HD1      LYS  27  29.720 -17.410  -5.088
  236    HE2  LYS  27           HE2      LYS  27  29.313 -16.220  -7.377
  237    HE3  LYS  27           HE1      LYS  27  29.456 -17.977  -7.349
  238    HZ1  LYS  27           HZ1      LYS  27  27.379 -16.587  -8.393
  239    HZ2  LYS  27           HZ2      LYS  27  26.783 -17.043  -6.869
  240    HZ3  LYS  27           HZ3      LYS  27  27.340 -18.225  -7.955
  241    H    TYR  28           HN       TYR  28  25.602 -19.689  -0.830
  242    HA   TYR  28           HA       TYR  28  27.151 -21.990  -0.013
  243    HB2  TYR  28           HB2      TYR  28  28.629 -20.811   1.222
  244    HB3  TYR  28           HB1      TYR  28  27.682 -19.330   1.098
  245    HD1  TYR  28           HD1      TYR  28  27.496 -22.713   2.712
  246    HD2  TYR  28           HD2      TYR  28  26.668 -18.511   3.030
  247    HE1  TYR  28           HE1      TYR  28  26.653 -23.053   5.022
  248    HE2  TYR  28           HE2      TYR  28  25.822 -18.849   5.336
  249    HH   TYR  28           HH       TYR  28  24.786 -20.919   6.628
  250    H    LEU  29           HN       LEU  29  24.776 -19.514   0.905
  251    HA   LEU  29           HA       LEU  29  23.334 -21.463   2.548
  252    HB2  LEU  29           HB2      LEU  29  23.790 -18.859   2.992
  253    HB3  LEU  29           HB1      LEU  29  22.276 -18.717   2.100
  254    HG   LEU  29           HG       LEU  29  22.712 -20.453   4.550
  255   HD11  LEU  29          HD11      LEU  29  21.084 -18.796   5.563
  256   HD12  LEU  29          HD12      LEU  29  21.339 -17.789   4.138
  257   HD13  LEU  29          HD13      LEU  29  22.688 -18.147   5.218
  258   HD21  LEU  29          HD21      LEU  29  20.074 -20.353   4.335
  259   HD22  LEU  29          HD22      LEU  29  20.996 -21.536   3.408
  260   HD23  LEU  29          HD23      LEU  29  20.435 -20.054   2.635
  261    H    GLN  30           HN       GLN  30  22.918 -19.527  -0.376
  262    HA   GLN  30           HA       GLN  30  20.238 -20.494  -0.864
  263    HB2  GLN  30           HB2      GLN  30  20.715 -18.300  -1.645
  264    HB3  GLN  30           HB1      GLN  30  22.185 -18.828  -2.450
  265    HG2  GLN  30           HG2      GLN  30  21.040 -19.863  -4.190
  266    HG3  GLN  30           HG1      GLN  30  19.541 -19.982  -3.262
  267   HE21  GLN  30          HE21      GLN  30  21.023 -16.916  -2.851
  268   HE22  GLN  30          HE22      GLN  30  20.075 -16.056  -3.964
  269    H    LYS  31           HN       LYS  31  23.173 -21.949  -1.058
  270    HA   LYS  31           HA       LYS  31  22.444 -23.562  -3.426
  271    HB2  LYS  31           HB2      LYS  31  24.991 -22.541  -2.391
  272    HB3  LYS  31           HB1      LYS  31  25.033 -24.256  -2.795
  273    HG2  LYS  31           HG2      LYS  31  25.646 -22.938  -4.759
  274    HG3  LYS  31           HG1      LYS  31  24.092 -23.720  -5.042
  275    HD2  LYS  31           HD2      LYS  31  23.545 -21.225  -3.788
  276    HD3  LYS  31           HD1      LYS  31  24.718 -20.913  -5.065
  277    HE2  LYS  31           HE2      LYS  31  23.257 -22.224  -6.640
  278    HE3  LYS  31           HE1      LYS  31  22.046 -22.311  -5.361
  279    HZ1  LYS  31           HZ1      LYS  31  21.342 -20.332  -6.007
  280    HZ2  LYS  31           HZ2      LYS  31  22.606 -20.186  -7.133
  281    HZ3  LYS  31           HZ3      LYS  31  22.825 -19.662  -5.533
  282    H    LYS  32           HN       LYS  32  23.537 -23.724  -0.064
  283    HA   LYS  32           HA       LYS  32  23.937 -26.375   0.368
  284    HB2  LYS  32           HB2      LYS  32  23.102 -26.067   2.632
  285    HB3  LYS  32           HB1      LYS  32  23.990 -24.626   2.133
  286    HG2  LYS  32           HG2      LYS  32  22.145 -23.471   2.755
  287    HG3  LYS  32           HG1      LYS  32  21.418 -24.088   1.272
  288    HD2  LYS  32           HD2      LYS  32  20.748 -26.152   2.624
  289    HD3  LYS  32           HD1      LYS  32  21.196 -25.233   4.062
  290    HE2  LYS  32           HE2      LYS  32  19.086 -24.415   4.012
  291    HE3  LYS  32           HE1      LYS  32  19.624 -23.444   2.641
  292    HZ1  LYS  32           HZ1      LYS  32  18.790 -26.210   2.150
  293    HZ2  LYS  32           HZ2      LYS  32  18.663 -24.846   1.146
  294    HZ3  LYS  32           HZ3      LYS  32  17.586 -25.054   2.443
  Start of MODEL   46
    1    H1   LYS   1           HT1      LYS   1  22.747  17.157  -1.523
    2    H2   LYS   1           HT2      LYS   1  22.859  18.738  -2.135
    3    H3   LYS   1           HT3      LYS   1  23.031  18.455  -0.469
    4    HA   LYS   1           HA       LYS   1  25.014  18.480  -2.456
    5    HB2  LYS   1           HB2      LYS   1  25.329  19.472  -0.282
    6    HB3  LYS   1           HB1      LYS   1  24.978  17.944   0.525
    7    HG2  LYS   1           HG2      LYS   1  27.008  16.966  -0.180
    8    HG3  LYS   1           HG1      LYS   1  27.256  18.180  -1.436
    9    HD2  LYS   1           HD2      LYS   1  27.712  19.890   0.207
   10    HD3  LYS   1           HD1      LYS   1  27.251  18.813   1.526
   11    HE2  LYS   1           HE2      LYS   1  29.544  18.258  -0.375
   12    HE3  LYS   1           HE1      LYS   1  29.741  19.017   1.205
   13    HZ1  LYS   1           HZ1      LYS   1  28.612  16.322   0.673
   14    HZ2  LYS   1           HZ2      LYS   1  28.689  17.057   2.201
   15    HZ3  LYS   1           HZ3      LYS   1  30.118  16.661   1.374
   16    H    LYS   2           HN       LYS   2  24.083  15.926  -0.131
   17    HA   LYS   2           HA       LYS   2  24.733  13.866  -2.067
   18    HB2  LYS   2           HB2      LYS   2  26.946  14.311  -1.143
   19    HB3  LYS   2           HB1      LYS   2  26.319  14.138   0.497
   20    HG2  LYS   2           HG2      LYS   2  25.892  11.816   0.203
   21    HG3  LYS   2           HG1      LYS   2  26.076  11.927  -1.547
   22    HD2  LYS   2           HD2      LYS   2  28.086  10.928  -0.579
   23    HD3  LYS   2           HD1      LYS   2  28.473  12.523  -1.228
   24    HE2  LYS   2           HE2      LYS   2  28.540  13.508   0.925
   25    HE3  LYS   2           HE1      LYS   2  27.694  12.150   1.664
   26    HZ1  LYS   2           HZ1      LYS   2  30.484  12.285   0.709
   27    HZ2  LYS   2           HZ2      LYS   2  29.695  10.792   0.895
   28    HZ3  LYS   2           HZ3      LYS   2  29.905  11.818   2.233
   29    H    HIS   3           HN       HIS   3  24.165  11.709  -1.282
   30    HA   HIS   3           HA       HIS   3  21.670  11.551  -0.103
   31    HB2  HIS   3           HB2      HIS   3  22.914   9.738  -1.379
   32    HB3  HIS   3           HB1      HIS   3  23.756   9.380   0.129
   33    HD2  HIS   3           HD2      HIS   3  22.329   6.895   0.378
   34    HE1  HIS   3           HE1      HIS   3  18.569   8.689   1.056
   35    HE2  HIS   3           HE2      HIS   3  19.854   6.500   1.112
   36    H    THR   4           HN       THR   4  21.468   9.938   1.966
   37    HA   THR   4           HA       THR   4  21.930  11.528   4.217
   38    HB   THR   4           HB       THR   4  20.232   9.846   4.319
   39    HG1  THR   4           HG1      THR   4  21.262  10.171   6.282
   40   HG21  THR   4          HG21      THR   4  22.291   8.233   3.080
   41   HG22  THR   4          HG22      THR   4  20.553   7.944   3.165
   42   HG23  THR   4          HG23      THR   4  21.603   7.397   4.473
   43    H    ILE   5           HN       ILE   5  23.038   8.505   5.103
   44    HA   ILE   5           HA       ILE   5  25.833   9.466   5.233
   45    HB   ILE   5           HB       ILE   5  25.926   7.808   7.207
   46   HG12  ILE   5          HG12      ILE   5  23.072   8.337   7.699
   47   HG13  ILE   5          HG11      ILE   5  23.370   7.216   6.370
   48   HG21  ILE   5          HG21      ILE   5  26.034  10.238   7.486
   49   HG22  ILE   5          HG22      ILE   5  25.010   9.540   8.741
   50   HG23  ILE   5          HG23      ILE   5  24.278  10.350   7.356
   51   HD11  ILE   5          HD11      ILE   5  24.608   5.735   7.759
   52   HD12  ILE   5          HD12      ILE   5  23.185   6.176   8.702
   53   HD13  ILE   5          HD13      ILE   5  24.741   6.933   9.045
   54    H    TRP   6           HN       TRP   6  23.675   6.905   4.323
   55    HA   TRP   6           HA       TRP   6  25.184   4.655   4.146
   56    HB2  TRP   6           HB2      TRP   6  22.949   5.758   2.686
   57    HB3  TRP   6           HB1      TRP   6  24.009   4.862   1.598
   58    HD1  TRP   6           HD1      TRP   6  22.813   2.617   1.338
   59    HE1  TRP   6           HE1      TRP   6  22.010   0.775   2.947
   60    HE3  TRP   6           HE3      TRP   6  23.576   4.965   5.798
   61    HZ2  TRP   6           HZ2      TRP   6  21.728   0.358   5.757
   62    HZ3  TRP   6           HZ3      TRP   6  23.032   3.825   7.931
   63    HH2  TRP   6           HH2      TRP   6  22.108   1.525   7.916
   64    H    GLU   7           HN       GLU   7  25.014   6.859   1.349
   65    HA   GLU   7           HA       GLU   7  27.136   5.902  -0.088
   66    HB2  GLU   7           HB2      GLU   7  25.979   8.641   0.233
   67    HB3  GLU   7           HB1      GLU   7  27.427   8.421  -0.749
   68    HG2  GLU   7           HG2      GLU   7  25.079   6.599  -1.163
   69    HG3  GLU   7           HG1      GLU   7  25.050   8.218  -1.862
   70    H    VAL   8           HN       VAL   8  27.299   7.369   2.994
   71    HA   VAL   8           HA       VAL   8  30.124   8.088   2.657
   72    HB   VAL   8           HB       VAL   8  28.563   8.473   5.196
   73   HG11  VAL   8          HG11      VAL   8  31.142   8.823   4.792
   74   HG12  VAL   8          HG12      VAL   8  30.224  10.020   5.706
   75   HG13  VAL   8          HG13      VAL   8  30.612  10.313   4.011
   76   HG21  VAL   8          HG21      VAL   8  28.628  10.304   2.774
   77   HG22  VAL   8          HG22      VAL   8  27.924  10.706   4.340
   78   HG23  VAL   8          HG23      VAL   8  27.211   9.431   3.353
   79    H    ILE   9           HN       ILE   9  28.041   5.860   4.444
   80    HA   ILE   9           HA       ILE   9  30.457   4.488   5.437
   81    HB   ILE   9           HB       ILE   9  29.377   5.104   7.373
   82   HG12  ILE   9          HG12      ILE   9  29.319   2.438   6.877
   83   HG13  ILE   9          HG11      ILE   9  28.788   3.154   8.385
   84   HG21  ILE   9          HG21      ILE   9  26.805   4.799   5.839
   85   HG22  ILE   9          HG22      ILE   9  27.525   6.263   6.506
   86   HG23  ILE   9          HG23      ILE   9  26.845   5.053   7.586
   87   HD11  ILE   9          HD11      ILE   9  27.178   1.485   7.289
   88   HD12  ILE   9          HD12      ILE   9  26.866   2.733   6.091
   89   HD13  ILE   9          HD13      ILE   9  26.496   3.030   7.784
   90    H    ALA  10           HN       ALA  10  27.193   4.019   4.136
   91    HA   ALA  10           HA       ALA  10  27.476   1.198   3.773
   92    HB1  ALA  10           HB1      ALA  10  25.280   2.330   3.885
   93    HB2  ALA  10           HB2      ALA  10  25.457   1.383   2.410
   94    HB3  ALA  10           HB3      ALA  10  25.632   3.138   2.358
   95    H    GLY  11           HN       GLY  11  27.193   3.730   1.262
   96    HA2  GLY  11           HA2      GLY  11  28.123   2.240  -0.878
   97    HA3  GLY  11           HA1      GLY  11  28.315   3.988  -0.742
   98    H    LEU  12           HN       LEU  12  29.754   3.255   1.907
   99    HA   LEU  12           HA       LEU  12  32.398   2.978   0.668
  100    HB2  LEU  12           HB2      LEU  12  31.817   4.941   2.203
  101    HB3  LEU  12           HB1      LEU  12  31.832   3.771   3.522
  102    HG   LEU  12           HG       LEU  12  34.165   3.105   2.387
  103   HD11  LEU  12          HD11      LEU  12  35.319   5.021   1.486
  104   HD12  LEU  12          HD12      LEU  12  33.965   6.084   1.869
  105   HD13  LEU  12          HD13      LEU  12  33.799   4.867   0.604
  106   HD21  LEU  12          HD21      LEU  12  33.942   3.754   4.713
  107   HD22  LEU  12          HD22      LEU  12  33.646   5.434   4.262
  108   HD23  LEU  12          HD23      LEU  12  35.237   4.718   4.003
  109    H    VAL  13           HN       VAL  13  30.146   1.438   2.832
  110    HA   VAL  13           HA       VAL  13  32.133  -0.695   3.364
  111    HB   VAL  13           HB       VAL  13  29.741   0.095   5.044
  112   HG11  VAL  13          HG11      VAL  13  31.856  -2.054   5.312
  113   HG12  VAL  13          HG12      VAL  13  30.105  -2.264   5.258
  114   HG13  VAL  13          HG13      VAL  13  30.860  -1.517   6.665
  115   HG21  VAL  13          HG21      VAL  13  31.935   1.554   4.951
  116   HG22  VAL  13          HG22      VAL  13  32.622   0.235   5.898
  117   HG23  VAL  13          HG23      VAL  13  31.236   1.134   6.516
  118    H    ALA  14           HN       ALA  14  28.597  -0.207   3.121
  119    HA   ALA  14           HA       ALA  14  27.768  -2.786   2.767
  120    HB1  ALA  14           HB1      ALA  14  26.792  -0.440   1.118
  121    HB2  ALA  14           HB2      ALA  14  26.275  -0.788   2.768
  122    HB3  ALA  14           HB3      ALA  14  25.901  -1.922   1.469
  123    H    LEU  15           HN       LEU  15  29.242  -0.677   0.325
  124    HA   LEU  15           HA       LEU  15  28.996  -2.559  -1.806
  125    HB2  LEU  15           HB2      LEU  15  29.347  -0.115  -2.158
  126    HB3  LEU  15           HB1      LEU  15  30.975  -0.282  -1.505
  127    HG   LEU  15           HG       LEU  15  31.515  -1.911  -3.301
  128   HD11  LEU  15          HD11      LEU  15  28.622  -1.473  -3.911
  129   HD12  LEU  15          HD12      LEU  15  29.587  -2.943  -4.043
  130   HD13  LEU  15          HD13      LEU  15  29.720  -1.688  -5.274
  131   HD21  LEU  15          HD21      LEU  15  32.185   0.281  -3.834
  132   HD22  LEU  15          HD22      LEU  15  30.523   0.848  -3.995
  133   HD23  LEU  15          HD23      LEU  15  31.223  -0.192  -5.234
  134    H    LEU  16           HN       LEU  16  31.354  -1.936   0.702
  135    HA   LEU  16           HA       LEU  16  33.239  -3.872  -0.405
  136    HB2  LEU  16           HB2      LEU  16  33.454  -2.435   2.239
  137    HB3  LEU  16           HB1      LEU  16  34.752  -3.141   1.274
  138    HG   LEU  16           HG       LEU  16  33.062  -0.735   0.540
  139   HD11  LEU  16          HD11      LEU  16  34.983  -0.518   2.231
  140   HD12  LEU  16          HD12      LEU  16  35.060   0.533   0.815
  141   HD13  LEU  16          HD13      LEU  16  36.059  -0.918   0.892
  142   HD21  LEU  16          HD21      LEU  16  34.806  -0.693  -1.392
  143   HD22  LEU  16          HD22      LEU  16  33.450  -1.814  -1.516
  144   HD23  LEU  16          HD23      LEU  16  35.035  -2.401  -1.014
  145    H    THR  17           HN       THR  17  30.458  -4.006   1.352
  146    HA   THR  17           HA       THR  17  31.322  -6.416   2.832
  147    HB   THR  17           HB       THR  17  29.414  -4.226   3.537
  148    HG1  THR  17           HG1      THR  17  31.328  -4.122   4.558
  149   HG21  THR  17          HG21      THR  17  27.916  -6.036   3.761
  150   HG22  THR  17          HG22      THR  17  28.616  -5.870   5.371
  151   HG23  THR  17          HG23      THR  17  29.190  -7.136   4.288
  152    H    PHE  18           HN       PHE  18  28.330  -4.969   1.524
  153    HA   PHE  18           HA       PHE  18  26.800  -7.224   1.264
  154    HB2  PHE  18           HB2      PHE  18  26.296  -4.741   0.655
  155    HB3  PHE  18           HB1      PHE  18  26.836  -5.207  -0.959
  156    HD1  PHE  18           HD1      PHE  18  24.330  -5.828   1.690
  157    HD2  PHE  18           HD2      PHE  18  25.546  -6.722  -2.331
  158    HE1  PHE  18           HE1      PHE  18  22.129  -6.883   1.257
  159    HE2  PHE  18           HE2      PHE  18  23.347  -7.776  -2.764
  160    HZ   PHE  18           HZ       PHE  18  21.634  -7.857  -0.970
  161    H    LEU  19           HN       LEU  19  29.334  -6.093  -0.935
  162    HA   LEU  19           HA       LEU  19  28.862  -8.174  -2.873
  163    HB2  LEU  19           HB2      LEU  19  30.987  -6.077  -2.492
  164    HB3  LEU  19           HB1      LEU  19  31.175  -7.337  -3.708
  165    HG   LEU  19           HG       LEU  19  30.112  -5.210  -4.567
  166   HD11  LEU  19          HD11      LEU  19  29.444  -7.874  -5.117
  167   HD12  LEU  19          HD12      LEU  19  29.062  -6.473  -6.116
  168   HD13  LEU  19          HD13      LEU  19  27.891  -7.061  -4.938
  169   HD21  LEU  19          HD21      LEU  19  28.816  -4.900  -2.375
  170   HD22  LEU  19          HD22      LEU  19  27.694  -6.108  -2.998
  171   HD23  LEU  19          HD23      LEU  19  27.925  -4.591  -3.865
  172    H    ALA  20           HN       ALA  20  30.451  -8.043   0.120
  173    HA   ALA  20           HA       ALA  20  32.279 -10.242  -0.565
  174    HB1  ALA  20           HB1      ALA  20  32.444  -8.043   1.204
  175    HB2  ALA  20           HB2      ALA  20  33.622  -9.335   0.980
  176    HB3  ALA  20           HB3      ALA  20  32.366  -9.490   2.207
  177    H    PHE  21           HN       PHE  21  29.695  -9.434   1.737
  178    HA   PHE  21           HA       PHE  21  29.542 -12.160   2.708
  179    HB2  PHE  21           HB2      PHE  21  27.922  -9.668   3.245
  180    HB3  PHE  21           HB1      PHE  21  27.546 -11.233   3.967
  181    HD1  PHE  21           HD1      PHE  21  30.458  -8.922   3.448
  182    HD2  PHE  21           HD2      PHE  21  28.538 -11.788   6.007
  183    HE1  PHE  21           HE1      PHE  21  32.184  -8.527   5.183
  184    HE2  PHE  21           HE2      PHE  21  30.265 -11.395   7.743
  185    HZ   PHE  21           HZ       PHE  21  32.087  -9.765   7.329
  186    H    GLY  22           HN       GLY  22  27.809 -10.056   0.491
  187    HA2  GLY  22           HA2      GLY  22  25.540 -11.742   0.127
  188    HA3  GLY  22           HA1      GLY  22  26.046 -10.439  -0.944
  189    H    PHE  23           HN       PHE  23  28.437 -11.174  -1.908
  190    HA   PHE  23           HA       PHE  23  27.860 -13.038  -3.885
  191    HB2  PHE  23           HB2      PHE  23  29.660 -11.595  -4.326
  192    HB3  PHE  23           HB1      PHE  23  30.432 -11.948  -2.779
  193    HD1  PHE  23           HD1      PHE  23  29.464 -13.494  -6.032
  194    HD2  PHE  23           HD2      PHE  23  31.993 -13.692  -2.568
  195    HE1  PHE  23           HE1      PHE  23  30.748 -15.339  -7.075
  196    HE2  PHE  23           HE2      PHE  23  33.277 -15.536  -3.611
  197    HZ   PHE  23           HZ       PHE  23  32.654 -16.364  -5.866
  198    H    TRP  24           HN       TRP  24  28.475 -13.538  -0.617
  199    HA   TRP  24           HA       TRP  24  29.389 -16.307  -1.041
  200    HB2  TRP  24           HB2      TRP  24  30.819 -15.113   0.466
  201    HB3  TRP  24           HB1      TRP  24  29.439 -14.501   1.378
  202    HD1  TRP  24           HD1      TRP  24  30.578 -18.034   0.283
  203    HE1  TRP  24           HE1      TRP  24  30.368 -19.607   2.318
  204    HE3  TRP  24           HE3      TRP  24  28.855 -14.736   3.758
  205    HZ2  TRP  24           HZ2      TRP  24  29.572 -19.477   5.058
  206    HZ3  TRP  24           HZ3      TRP  24  28.377 -15.478   6.079
  207    HH2  TRP  24           HH2      TRP  24  28.733 -17.844   6.730
  208    H    LEU  25           HN       LEU  25  27.367 -14.630   1.347
  209    HA   LEU  25           HA       LEU  25  25.860 -16.577   2.378
  210    HB2  LEU  25           HB2      LEU  25  25.215 -13.784   1.582
  211    HB3  LEU  25           HB1      LEU  25  23.870 -14.819   2.065
  212    HG   LEU  25           HG       LEU  25  26.375 -14.666   3.730
  213   HD11  LEU  25          HD11      LEU  25  25.307 -12.899   5.066
  214   HD12  LEU  25          HD12      LEU  25  23.953 -12.852   3.937
  215   HD13  LEU  25          HD13      LEU  25  25.561 -12.353   3.409
  216   HD21  LEU  25          HD21      LEU  25  24.115 -16.240   3.885
  217   HD22  LEU  25          HD22      LEU  25  23.715 -14.913   4.974
  218   HD23  LEU  25          HD23      LEU  25  25.173 -15.867   5.244
  219    H    PHE  26           HN       PHE  26  24.934 -14.976  -0.694
  220    HA   PHE  26           HA       PHE  26  22.839 -16.850  -1.186
  221    HB2  PHE  26           HB2      PHE  26  24.100 -15.128  -3.295
  222    HB3  PHE  26           HB1      PHE  26  22.424 -15.663  -3.164
  223    HD1  PHE  26           HD1      PHE  26  21.459 -15.087  -0.622
  224    HD2  PHE  26           HD2      PHE  26  24.378 -12.861  -2.850
  225    HE1  PHE  26           HE1      PHE  26  20.895 -13.057   0.673
  226    HE2  PHE  26           HE2      PHE  26  23.816 -10.823  -1.550
  227    HZ   PHE  26           HZ       PHE  26  22.078 -10.923   0.215
  228    H    LYS  27           HN       LYS  27  26.219 -16.850  -1.822
  229    HA   LYS  27           HA       LYS  27  25.874 -19.094  -3.724
  230    HB2  LYS  27           HB2      LYS  27  28.497 -17.705  -3.233
  231    HB3  LYS  27           HB1      LYS  27  27.966 -18.591  -4.658
  232    HG2  LYS  27           HG2      LYS  27  26.796 -15.939  -3.748
  233    HG3  LYS  27           HG1      LYS  27  28.016 -16.110  -5.001
  234    HD2  LYS  27           HD2      LYS  27  25.256 -17.361  -5.095
  235    HD3  LYS  27           HD1      LYS  27  25.743 -15.909  -5.959
  236    HE2  LYS  27           HE2      LYS  27  26.190 -17.403  -7.633
  237    HE3  LYS  27           HE1      LYS  27  27.714 -17.583  -6.763
  238    HZ1  LYS  27           HZ1      LYS  27  25.350 -19.344  -6.746
  239    HZ2  LYS  27           HZ2      LYS  27  26.428 -19.347  -5.432
  240    HZ3  LYS  27           HZ3      LYS  27  26.980 -19.743  -6.988
  241    H    TYR  28           HN       TYR  28  25.568 -19.373  -0.843
  242    HA   TYR  28           HA       TYR  28  27.380 -21.601  -0.494
  243    HB2  TYR  28           HB2      TYR  28  28.931 -20.455   0.668
  244    HB3  TYR  28           HB1      TYR  28  27.887 -19.046   0.836
  245    HD1  TYR  28           HD1      TYR  28  28.145 -22.579   2.073
  246    HD2  TYR  28           HD2      TYR  28  27.090 -18.511   2.966
  247    HE1  TYR  28           HE1      TYR  28  27.658 -23.219   4.420
  248    HE2  TYR  28           HE2      TYR  28  26.602 -19.152   5.310
  249    HH   TYR  28           HH       TYR  28  27.646 -21.883   6.725
  250    H    LEU  29           HN       LEU  29  25.172 -19.453   1.320
  251    HA   LEU  29           HA       LEU  29  24.123 -21.676   2.854
  252    HB2  LEU  29           HB2      LEU  29  24.229 -18.882   3.158
  253    HB3  LEU  29           HB1      LEU  29  22.518 -19.276   2.991
  254    HG   LEU  29           HG       LEU  29  24.443 -20.607   4.923
  255   HD11  LEU  29          HD11      LEU  29  23.759 -18.203   5.412
  256   HD12  LEU  29          HD12      LEU  29  23.330 -19.378   6.655
  257   HD13  LEU  29          HD13      LEU  29  22.101 -18.790   5.535
  258   HD21  LEU  29          HD21      LEU  29  21.819 -21.327   3.897
  259   HD22  LEU  29          HD22      LEU  29  21.769 -21.080   5.643
  260   HD23  LEU  29          HD23      LEU  29  22.893 -22.249   4.949
  261    H    GLN  30           HN       GLN  30  22.963 -19.495   0.337
  262    HA   GLN  30           HA       GLN  30  20.354 -20.602   0.120
  263    HB2  GLN  30           HB2      GLN  30  20.753 -18.380  -0.645
  264    HB3  GLN  30           HB1      GLN  30  22.068 -18.914  -1.675
  265    HG2  GLN  30           HG2      GLN  30  20.689 -19.671  -3.318
  266    HG3  GLN  30           HG1      GLN  30  19.421 -20.147  -2.182
  267   HE21  GLN  30          HE21      GLN  30  20.781 -16.926  -1.875
  268   HE22  GLN  30          HE22      GLN  30  19.445 -16.094  -2.509
  269    H    LYS  31           HN       LYS  31  23.447 -21.600  -0.987
  270    HA   LYS  31           HA       LYS  31  22.263 -23.424  -2.980
  271    HB2  LYS  31           HB2      LYS  31  24.933 -22.163  -2.632
  272    HB3  LYS  31           HB1      LYS  31  24.899 -23.791  -3.310
  273    HG2  LYS  31           HG2      LYS  31  24.768 -22.013  -5.062
  274    HG3  LYS  31           HG1      LYS  31  23.359 -23.076  -5.061
  275    HD2  LYS  31           HD2      LYS  31  21.952 -21.441  -4.246
  276    HD3  LYS  31           HD1      LYS  31  23.239 -20.632  -3.351
  277    HE2  LYS  31           HE2      LYS  31  24.173 -19.749  -5.434
  278    HE3  LYS  31           HE1      LYS  31  22.954 -20.613  -6.370
  279    HZ1  LYS  31           HZ1      LYS  31  22.542 -18.377  -4.474
  280    HZ2  LYS  31           HZ2      LYS  31  21.266 -19.346  -5.037
  281    HZ3  LYS  31           HZ3      LYS  31  22.179 -18.419  -6.129
  282    H    LYS  32           HN       LYS  32  24.456 -23.349  -0.185
  283    HA   LYS  32           HA       LYS  32  25.200 -25.018   1.215
  284    HB2  LYS  32           HB2      LYS  32  22.383 -25.074   1.094
  285    HB3  LYS  32           HB1      LYS  32  22.908 -26.757   1.057
  286    HG2  LYS  32           HG2      LYS  32  24.287 -26.394   3.056
  287    HG3  LYS  32           HG1      LYS  32  23.823 -24.692   3.083
  288    HD2  LYS  32           HD2      LYS  32  21.646 -26.742   3.049
  289    HD3  LYS  32           HD1      LYS  32  22.526 -26.490   4.557
  290    HE2  LYS  32           HE2      LYS  32  21.779 -24.309   4.793
  291    HE3  LYS  32           HE1      LYS  32  21.557 -24.087   3.057
  292    HZ1  LYS  32           HZ1      LYS  32  19.740 -25.850   3.319
  293    HZ2  LYS  32           HZ2      LYS  32  19.411 -24.275   3.866
  294    HZ3  LYS  32           HZ3      LYS  32  19.815 -25.495   4.976
  Start of MODEL   47
    1    H1   LYS   1           HT1      LYS   1  21.535  14.042  -6.136
    2    H2   LYS   1           HT2      LYS   1  23.234  14.056  -6.176
    3    H3   LYS   1           HT3      LYS   1  22.359  15.446  -6.613
    4    HA   LYS   1           HA       LYS   1  23.004  15.988  -4.493
    5    HB2  LYS   1           HB2      LYS   1  20.467  14.442  -3.926
    6    HB3  LYS   1           HB1      LYS   1  21.018  15.937  -3.171
    7    HG2  LYS   1           HG2      LYS   1  20.145  15.593  -6.054
    8    HG3  LYS   1           HG1      LYS   1  19.275  16.464  -4.791
    9    HD2  LYS   1           HD2      LYS   1  21.466  17.855  -4.565
   10    HD3  LYS   1           HD1      LYS   1  21.850  17.212  -6.161
   11    HE2  LYS   1           HE2      LYS   1  19.346  17.986  -6.667
   12    HE3  LYS   1           HE1      LYS   1  19.688  19.108  -5.350
   13    HZ1  LYS   1           HZ1      LYS   1  21.151  20.244  -6.586
   14    HZ2  LYS   1           HZ2      LYS   1  20.354  19.534  -7.908
   15    HZ3  LYS   1           HZ3      LYS   1  21.794  18.855  -7.316
   16    H    LYS   2           HN       LYS   2  23.598  15.370  -2.338
   17    HA   LYS   2           HA       LYS   2  24.660  12.661  -2.218
   18    HB2  LYS   2           HB2      LYS   2  26.075  14.581  -1.565
   19    HB3  LYS   2           HB1      LYS   2  24.936  14.975  -0.281
   20    HG2  LYS   2           HG2      LYS   2  26.830  13.703   0.624
   21    HG3  LYS   2           HG1      LYS   2  25.348  12.761   0.759
   22    HD2  LYS   2           HD2      LYS   2  26.024  11.220  -0.806
   23    HD3  LYS   2           HD1      LYS   2  26.934  12.410  -1.739
   24    HE2  LYS   2           HE2      LYS   2  27.867  11.637   1.011
   25    HE3  LYS   2           HE1      LYS   2  28.238  10.599  -0.367
   26    HZ1  LYS   2           HZ1      LYS   2  29.679  12.077  -1.201
   27    HZ2  LYS   2           HZ2      LYS   2  29.712  12.707   0.376
   28    HZ3  LYS   2           HZ3      LYS   2  28.717  13.417  -0.804
   29    H    HIS   3           HN       HIS   3  24.060  11.099  -0.775
   30    HA   HIS   3           HA       HIS   3  21.408  11.344   0.363
   31    HB2  HIS   3           HB2      HIS   3  22.334   9.274  -0.790
   32    HB3  HIS   3           HB1      HIS   3  23.313   9.019   0.653
   33    HD2  HIS   3           HD2      HIS   3  21.688   6.720   1.306
   34    HE1  HIS   3           HE1      HIS   3  18.254   8.981   2.260
   35    HE2  HIS   3           HE2      HIS   3  19.309   6.674   2.381
   36    H    THR   4           HN       THR   4  21.360   9.988   2.638
   37    HA   THR   4           HA       THR   4  22.168  11.787   4.605
   38    HB   THR   4           HB       THR   4  20.450  10.234   5.153
   39    HG1  THR   4           HG1      THR   4  21.809   8.918   6.837
   40   HG21  THR   4          HG21      THR   4  22.242   8.364   3.829
   41   HG22  THR   4          HG22      THR   4  20.509   8.232   4.127
   42   HG23  THR   4          HG23      THR   4  21.656   7.722   5.362
   43    H    ILE   5           HN       ILE   5  23.284   8.769   5.588
   44    HA   ILE   5           HA       ILE   5  26.091   9.675   5.393
   45    HB   ILE   5           HB       ILE   5  26.356   8.044   7.379
   46   HG12  ILE   5          HG12      ILE   5  23.567   8.654   8.122
   47   HG13  ILE   5          HG11      ILE   5  23.726   7.481   6.814
   48   HG21  ILE   5          HG21      ILE   5  26.642  10.344   7.818
   49   HG22  ILE   5          HG22      ILE   5  25.364   9.867   8.935
   50   HG23  ILE   5          HG23      ILE   5  24.959  10.716   7.443
   51   HD11  ILE   5          HD11      ILE   5  25.044   6.019   8.136
   52   HD12  ILE   5          HD12      ILE   5  23.740   6.543   9.204
   53   HD13  ILE   5          HD13      ILE   5  25.344   7.262   9.350
   54    H    TRP   6           HN       TRP   6  23.817   7.183   4.664
   55    HA   TRP   6           HA       TRP   6  25.269   4.889   4.417
   56    HB2  TRP   6           HB2      TRP   6  22.924   5.999   3.160
   57    HB3  TRP   6           HB1      TRP   6  23.867   5.087   1.981
   58    HD1  TRP   6           HD1      TRP   6  22.642   2.846   1.853
   59    HE1  TRP   6           HE1      TRP   6  21.977   1.025   3.546
   60    HE3  TRP   6           HE3      TRP   6  23.825   5.228   6.204
   61    HZ2  TRP   6           HZ2      TRP   6  21.953   0.633   6.374
   62    HZ3  TRP   6           HZ3      TRP   6  23.472   4.109   8.386
   63    HH2  TRP   6           HH2      TRP   6  22.537   1.815   8.478
   64    H    GLU   7           HN       GLU   7  24.957   7.203   1.710
   65    HA   GLU   7           HA       GLU   7  26.921   6.114   0.086
   66    HB2  GLU   7           HB2      GLU   7  25.896   8.919   0.420
   67    HB3  GLU   7           HB1      GLU   7  27.149   8.538  -0.760
   68    HG2  GLU   7           HG2      GLU   7  25.629   6.781  -1.716
   69    HG3  GLU   7           HG1      GLU   7  24.370   7.336  -0.614
   70    H    VAL   8           HN       VAL   8  27.383   7.412   3.139
   71    HA   VAL   8           HA       VAL   8  30.164   8.201   2.563
   72    HB   VAL   8           HB       VAL   8  28.787   8.592   5.210
   73   HG11  VAL   8          HG11      VAL   8  30.554   9.986   5.676
   74   HG12  VAL   8          HG12      VAL   8  30.751  10.471   3.991
   75   HG13  VAL   8          HG13      VAL   8  31.361   8.908   4.536
   76   HG21  VAL   8          HG21      VAL   8  28.131  10.835   4.432
   77   HG22  VAL   8          HG22      VAL   8  27.361   9.601   3.437
   78   HG23  VAL   8          HG23      VAL   8  28.767  10.473   2.828
   79    H    ILE   9           HN       ILE   9  28.193   6.017   4.520
   80    HA   ILE   9           HA       ILE   9  30.649   4.593   5.317
   81    HB   ILE   9           HB       ILE   9  29.730   5.207   7.331
   82   HG12  ILE   9          HG12      ILE   9  29.548   2.549   6.826
   83   HG13  ILE   9          HG11      ILE   9  29.150   3.270   8.372
   84   HG21  ILE   9          HG21      ILE   9  27.221   5.240   7.726
   85   HG22  ILE   9          HG22      ILE   9  27.045   5.002   5.985
   86   HG23  ILE   9          HG23      ILE   9  27.861   6.434   6.605
   87   HD11  ILE   9          HD11      ILE   9  27.411   1.664   7.383
   88   HD12  ILE   9          HD12      ILE   9  27.056   2.933   6.219
   89   HD13  ILE   9          HD13      ILE   9  26.818   3.226   7.937
   90    H    ALA  10           HN       ALA  10  27.290   4.194   4.255
   91    HA   ALA  10           HA       ALA  10  27.495   1.371   3.848
   92    HB1  ALA  10           HB1      ALA  10  25.374   1.585   2.680
   93    HB2  ALA  10           HB2      ALA  10  25.580   3.333   2.564
   94    HB3  ALA  10           HB3      ALA  10  25.336   2.573   4.138
   95    H    GLY  11           HN       GLY  11  27.063   3.938   1.396
   96    HA2  GLY  11           HA2      GLY  11  27.802   2.460  -0.827
   97    HA3  GLY  11           HA1      GLY  11  28.031   4.203  -0.686
   98    H    LEU  12           HN       LEU  12  29.654   3.389   1.840
   99    HA   LEU  12           HA       LEU  12  32.190   3.091   0.398
  100    HB2  LEU  12           HB2      LEU  12  31.766   5.046   1.992
  101    HB3  LEU  12           HB1      LEU  12  31.855   3.860   3.295
  102    HG   LEU  12           HG       LEU  12  34.086   3.168   1.982
  103   HD11  LEU  12          HD11      LEU  12  33.585   4.992   0.268
  104   HD12  LEU  12          HD12      LEU  12  35.195   5.043   0.988
  105   HD13  LEU  12          HD13      LEU  12  33.946   6.160   1.539
  106   HD21  LEU  12          HD21      LEU  12  35.313   4.664   3.555
  107   HD22  LEU  12          HD22      LEU  12  33.977   3.825   4.342
  108   HD23  LEU  12          HD23      LEU  12  33.807   5.519   3.884
  109    H    VAL  13           HN       VAL  13  30.089   1.568   2.724
  110    HA   VAL  13           HA       VAL  13  32.083  -0.590   3.108
  111    HB   VAL  13           HB       VAL  13  29.778   0.204   4.902
  112   HG11  VAL  13          HG11      VAL  13  30.932  -1.475   6.439
  113   HG12  VAL  13          HG12      VAL  13  31.823  -2.022   5.018
  114   HG13  VAL  13          HG13      VAL  13  30.066  -2.163   5.065
  115   HG21  VAL  13          HG21      VAL  13  32.696   0.237   5.631
  116   HG22  VAL  13          HG22      VAL  13  31.368   1.164   6.328
  117   HG23  VAL  13          HG23      VAL  13  32.009   1.598   4.745
  118    H    ALA  14           HN       ALA  14  28.549  -0.074   2.986
  119    HA   ALA  14           HA       ALA  14  27.669  -2.636   2.649
  120    HB1  ALA  14           HB1      ALA  14  26.175  -0.672   2.698
  121    HB2  ALA  14           HB2      ALA  14  25.808  -1.722   1.331
  122    HB3  ALA  14           HB3      ALA  14  26.712  -0.229   1.077
  123    H    LEU  15           HN       LEU  15  28.912  -0.503   0.077
  124    HA   LEU  15           HA       LEU  15  28.666  -2.414  -1.998
  125    HB2  LEU  15           HB2      LEU  15  28.969   0.025  -2.389
  126    HB3  LEU  15           HB1      LEU  15  30.619  -0.103  -1.781
  127    HG   LEU  15           HG       LEU  15  31.142  -1.735  -3.580
  128   HD11  LEU  15          HD11      LEU  15  29.285  -1.583  -5.496
  129   HD12  LEU  15          HD12      LEU  15  28.222  -1.371  -4.106
  130   HD13  LEU  15          HD13      LEU  15  29.214  -2.822  -4.243
  131   HD21  LEU  15          HD21      LEU  15  30.828  -0.067  -5.512
  132   HD22  LEU  15          HD22      LEU  15  31.704   0.518  -4.097
  133   HD23  LEU  15          HD23      LEU  15  30.014   0.966  -4.335
  134    H    LEU  16           HN       LEU  16  31.078  -1.789   0.439
  135    HA   LEU  16           HA       LEU  16  32.923  -3.743  -0.732
  136    HB2  LEU  16           HB2      LEU  16  33.338  -2.168   1.804
  137    HB3  LEU  16           HB1      LEU  16  34.557  -2.907   0.764
  138    HG   LEU  16           HG       LEU  16  32.785  -0.544   0.086
  139   HD11  LEU  16          HD11      LEU  16  34.753   0.754   0.166
  140   HD12  LEU  16          HD12      LEU  16  35.798  -0.663   0.067
  141   HD13  LEU  16          HD13      LEU  16  34.917  -0.319   1.555
  142   HD21  LEU  16          HD21      LEU  16  32.968  -1.726  -1.948
  143   HD22  LEU  16          HD22      LEU  16  34.605  -2.272  -1.588
  144   HD23  LEU  16          HD23      LEU  16  34.313  -0.588  -2.019
  145    H    THR  17           HN       THR  17  30.225  -3.997   0.959
  146    HA   THR  17           HA       THR  17  31.229  -6.246   2.590
  147    HB   THR  17           HB       THR  17  29.390  -4.020   3.344
  148    HG1  THR  17           HG1      THR  17  31.738  -4.857   4.036
  149   HG21  THR  17          HG21      THR  17  29.147  -6.900   4.210
  150   HG22  THR  17          HG22      THR  17  27.869  -5.797   3.698
  151   HG23  THR  17          HG23      THR  17  28.648  -5.579   5.264
  152    H    PHE  18           HN       PHE  18  28.175  -4.854   1.378
  153    HA   PHE  18           HA       PHE  18  26.542  -7.011   1.335
  154    HB2  PHE  18           HB2      PHE  18  26.225  -4.600   0.352
  155    HB3  PHE  18           HB1      PHE  18  26.691  -5.365  -1.167
  156    HD1  PHE  18           HD1      PHE  18  24.355  -5.749   1.731
  157    HD2  PHE  18           HD2      PHE  18  25.102  -6.567  -2.418
  158    HE1  PHE  18           HE1      PHE  18  22.066  -6.678   1.502
  159    HE2  PHE  18           HE2      PHE  18  22.815  -7.498  -2.647
  160    HZ   PHE  18           HZ       PHE  18  21.296  -7.552  -0.688
  161    H    LEU  19           HN       LEU  19  29.003  -6.279  -1.130
  162    HA   LEU  19           HA       LEU  19  28.478  -8.662  -2.647
  163    HB2  LEU  19           HB2      LEU  19  30.618  -6.549  -2.678
  164    HB3  LEU  19           HB1      LEU  19  30.801  -8.011  -3.642
  165    HG   LEU  19           HG       LEU  19  29.729  -6.078  -4.868
  166   HD11  LEU  19          HD11      LEU  19  29.056  -8.802  -4.909
  167   HD12  LEU  19          HD12      LEU  19  28.692  -7.613  -6.158
  168   HD13  LEU  19          HD13      LEU  19  27.508  -7.958  -4.898
  169   HD21  LEU  19          HD21      LEU  19  28.442  -5.362  -2.775
  170   HD22  LEU  19          HD22      LEU  19  27.327  -6.680  -3.135
  171   HD23  LEU  19          HD23      LEU  19  27.531  -5.359  -4.285
  172    H    ALA  20           HN       ALA  20  31.126  -7.650  -0.481
  173    HA   ALA  20           HA       ALA  20  32.728  -9.872  -0.547
  174    HB1  ALA  20           HB1      ALA  20  32.391  -9.050   2.199
  175    HB2  ALA  20           HB2      ALA  20  32.434  -7.642   1.138
  176    HB3  ALA  20           HB3      ALA  20  33.765  -8.798   1.122
  177    H    PHE  21           HN       PHE  21  29.963  -9.402   1.668
  178    HA   PHE  21           HA       PHE  21  30.075 -12.153   2.545
  179    HB2  PHE  21           HB2      PHE  21  28.130  -9.901   3.073
  180    HB3  PHE  21           HB1      PHE  21  27.960 -11.514   3.765
  181    HD1  PHE  21           HD1      PHE  21  30.415  -8.708   3.423
  182    HD2  PHE  21           HD2      PHE  21  29.095 -12.074   5.743
  183    HE1  PHE  21           HE1      PHE  21  32.039  -8.120   5.201
  184    HE2  PHE  21           HE2      PHE  21  30.720 -11.485   7.520
  185    HZ   PHE  21           HZ       PHE  21  32.193  -9.508   7.251
  186    H    GLY  22           HN       GLY  22  27.951 -10.182   0.494
  187    HA2  GLY  22           HA2      GLY  22  25.920 -11.980  -0.035
  188    HA3  GLY  22           HA1      GLY  22  26.508 -10.799  -1.199
  189    H    PHE  23           HN       PHE  23  29.003 -11.633  -1.792
  190    HA   PHE  23           HA       PHE  23  28.670 -13.600  -3.702
  191    HB2  PHE  23           HB2      PHE  23  30.644 -12.514  -4.065
  192    HB3  PHE  23           HB1      PHE  23  31.000 -12.366  -2.343
  193    HD1  PHE  23           HD1      PHE  23  30.832 -14.848  -5.131
  194    HD2  PHE  23           HD2      PHE  23  32.471 -13.870  -1.283
  195    HE1  PHE  23           HE1      PHE  23  32.327 -16.821  -5.267
  196    HE2  PHE  23           HE2      PHE  23  33.967 -15.843  -1.420
  197    HZ   PHE  23           HZ       PHE  23  33.896 -17.319  -3.412
  198    H    TRP  24           HN       TRP  24  29.048 -13.939  -0.295
  199    HA   TRP  24           HA       TRP  24  29.617 -16.813  -0.539
  200    HB2  TRP  24           HB2      TRP  24  31.104 -15.791   1.002
  201    HB3  TRP  24           HB1      TRP  24  29.800 -14.875   1.762
  202    HD1  TRP  24           HD1      TRP  24  30.553 -18.597   1.071
  203    HE1  TRP  24           HE1      TRP  24  29.850 -19.965   3.145
  204    HE3  TRP  24           HE3      TRP  24  28.759 -14.850   4.013
  205    HZ2  TRP  24           HZ2      TRP  24  28.677 -19.517   5.711
  206    HZ3  TRP  24           HZ3      TRP  24  27.851 -15.339   6.270
  207    HH2  TRP  24           HH2      TRP  24  27.808 -17.666   7.121
  208    H    LEU  25           HN       LEU  25  27.614 -14.735   1.548
  209    HA   LEU  25           HA       LEU  25  25.911 -16.375   2.719
  210    HB2  LEU  25           HB2      LEU  25  25.490 -13.741   1.444
  211    HB3  LEU  25           HB1      LEU  25  24.041 -14.632   1.899
  212    HG   LEU  25           HG       LEU  25  26.324 -14.362   3.842
  213   HD11  LEU  25          HD11      LEU  25  25.794 -12.079   3.065
  214   HD12  LEU  25          HD12      LEU  25  25.278 -12.320   4.734
  215   HD13  LEU  25          HD13      LEU  25  24.091 -12.354   3.431
  216   HD21  LEU  25          HD21      LEU  25  23.323 -14.759   4.081
  217   HD22  LEU  25          HD22      LEU  25  24.363 -14.419   5.460
  218   HD23  LEU  25          HD23      LEU  25  24.593 -15.899   4.534
  219    H    PHE  26           HN       PHE  26  25.396 -15.395  -0.674
  220    HA   PHE  26           HA       PHE  26  23.199 -17.200  -1.003
  221    HB2  PHE  26           HB2      PHE  26  24.811 -16.043  -3.260
  222    HB3  PHE  26           HB1      PHE  26  23.088 -16.410  -3.213
  223    HD1  PHE  26           HD2      PHE  26  22.011 -15.233  -0.886
  224    HD2  PHE  26           HD1      PHE  26  25.200 -13.746  -3.352
  225    HE1  PHE  26           HE2      PHE  26  21.533 -12.931  -0.115
  226    HE2  PHE  26           HE1      PHE  26  24.722 -11.439  -2.575
  227    HZ   PHE  26           HZ       PHE  26  22.891 -11.034  -0.955
  228    H    LYS  27           HN       LYS  27  26.413 -17.202  -2.577
  229    HA   LYS  27           HA       LYS  27  26.227 -19.701  -3.745
  230    HB2  LYS  27           HB2      LYS  27  28.541 -18.050  -2.810
  231    HB3  LYS  27           HB1      LYS  27  28.820 -19.677  -3.436
  232    HG2  LYS  27           HG2      LYS  27  28.032 -19.146  -5.557
  233    HG3  LYS  27           HG1      LYS  27  27.042 -17.813  -4.964
  234    HD2  LYS  27           HD2      LYS  27  28.817 -16.334  -4.903
  235    HD3  LYS  27           HD1      LYS  27  30.011 -17.611  -4.659
  236    HE2  LYS  27           HE2      LYS  27  29.810 -16.406  -7.002
  237    HE3  LYS  27           HE1      LYS  27  30.100 -18.144  -6.920
  238    HZ1  LYS  27           HZ1      LYS  27  28.122 -17.060  -8.317
  239    HZ2  LYS  27           HZ2      LYS  27  27.318 -17.307  -6.841
  240    HZ3  LYS  27           HZ3      LYS  27  28.040 -18.617  -7.650
  241    H    TYR  28           HN       TYR  28  25.988 -19.200  -0.492
  242    HA   TYR  28           HA       TYR  28  26.967 -21.933   0.093
  243    HB2  TYR  28           HB2      TYR  28  28.384 -21.007   1.557
  244    HB3  TYR  28           HB1      TYR  28  27.643 -19.419   1.381
  245    HD1  TYR  28           HD2      TYR  28  26.887 -22.778   2.877
  246    HD2  TYR  28           HD1      TYR  28  26.551 -18.514   3.223
  247    HE1  TYR  28           HE2      TYR  28  25.795 -23.044   5.089
  248    HE2  TYR  28           HE1      TYR  28  25.454 -18.772   5.431
  249    HH   TYR  28           HH       TYR  28  25.621 -21.325   7.270
  250    H    LEU  29           HN       LEU  29  24.633 -19.396   1.028
  251    HA   LEU  29           HA       LEU  29  22.997 -21.432   2.352
  252    HB2  LEU  29           HB2      LEU  29  22.205 -19.767   3.641
  253    HB3  LEU  29           HB1      LEU  29  23.518 -18.811   2.983
  254    HG   LEU  29           HG       LEU  29  21.901 -18.162   1.088
  255   HD11  LEU  29          HD11      LEU  29  20.255 -20.027   2.483
  256   HD12  LEU  29          HD12      LEU  29  19.814 -19.027   1.099
  257   HD13  LEU  29          HD13      LEU  29  19.553 -18.429   2.736
  258   HD21  LEU  29          HD21      LEU  29  22.562 -16.661   2.927
  259   HD22  LEU  29          HD22      LEU  29  21.279 -17.328   3.934
  260   HD23  LEU  29          HD23      LEU  29  20.875 -16.412   2.481
  261    H    GLN  30           HN       GLN  30  22.991 -19.389  -0.506
  262    HA   GLN  30           HA       GLN  30  20.290 -20.190  -1.235
  263    HB2  GLN  30           HB2      GLN  30  20.992 -17.937  -1.796
  264    HB3  GLN  30           HB1      GLN  30  22.374 -18.559  -2.696
  265    HG2  GLN  30           HG2      GLN  30  21.086 -19.318  -4.452
  266    HG3  GLN  30           HG1      GLN  30  19.651 -19.523  -3.450
  267   HE21  GLN  30          HE21      GLN  30  21.213 -16.488  -2.924
  268   HE22  GLN  30          HE22      GLN  30  20.174 -15.547  -3.878
  269    H    LYS  31           HN       LYS  31  23.433 -21.415  -1.571
  270    HA   LYS  31           HA       LYS  31  22.651 -23.075  -3.892
  271    HB2  LYS  31           HB2      LYS  31  25.260 -22.000  -2.923
  272    HB3  LYS  31           HB1      LYS  31  25.255 -23.561  -3.742
  273    HG2  LYS  31           HG2      LYS  31  25.593 -21.631  -5.304
  274    HG3  LYS  31           HG1      LYS  31  24.165 -22.592  -5.688
  275    HD2  LYS  31           HD2      LYS  31  22.691 -20.963  -4.901
  276    HD3  LYS  31           HD1      LYS  31  23.908 -20.224  -3.860
  277    HE2  LYS  31           HE2      LYS  31  24.830 -18.994  -5.572
  278    HE3  LYS  31           HE1      LYS  31  24.447 -20.211  -6.789
  279    HZ1  LYS  31           HZ1      LYS  31  23.021 -18.405  -7.191
  280    HZ2  LYS  31           HZ2      LYS  31  22.617 -18.239  -5.549
  281    HZ3  LYS  31           HZ3      LYS  31  22.058 -19.577  -6.435
  282    H    LYS  32           HN       LYS  32  24.274 -23.181  -0.729
  283    HA   LYS  32           HA       LYS  32  24.703 -24.943   0.698
  284    HB2  LYS  32           HB2      LYS  32  21.880 -24.980  -0.063
  285    HB3  LYS  32           HB1      LYS  32  22.464 -26.552   0.485
  286    HG2  LYS  32           HG2      LYS  32  23.351 -25.530   2.535
  287    HG3  LYS  32           HG1      LYS  32  22.820 -23.941   1.986
  288    HD2  LYS  32           HD2      LYS  32  20.777 -26.113   2.064
  289    HD3  LYS  32           HD1      LYS  32  21.311 -25.446   3.607
  290    HE2  LYS  32           HE2      LYS  32  20.402 -23.718   1.296
  291    HE3  LYS  32           HE1      LYS  32  19.313 -24.273   2.567
  292    HZ1  LYS  32           HZ1      LYS  32  21.133 -22.127   2.625
  293    HZ2  LYS  32           HZ2      LYS  32  21.575 -23.256   3.814
  294    HZ3  LYS  32           HZ3      LYS  32  20.010 -22.596   3.805
  Start of MODEL   48
    1    H1   LYS   1           HT1      LYS   1  20.492  16.316  -1.156
    2    H2   LYS   1           HT2      LYS   1  19.840  14.890  -0.501
    3    H3   LYS   1           HT3      LYS   1  18.927  16.322  -0.502
    4    HA   LYS   1           HA       LYS   1  17.990  15.328  -2.295
    5    HB2  LYS   1           HB2      LYS   1  19.056  17.436  -3.043
    6    HB3  LYS   1           HB1      LYS   1  20.513  16.538  -3.470
    7    HG2  LYS   1           HG2      LYS   1  19.423  15.368  -5.214
    8    HG3  LYS   1           HG1      LYS   1  17.820  15.785  -4.604
    9    HD2  LYS   1           HD2      LYS   1  17.976  18.012  -5.347
   10    HD3  LYS   1           HD1      LYS   1  19.734  17.937  -5.488
   11    HE2  LYS   1           HE2      LYS   1  18.596  17.858  -7.706
   12    HE3  LYS   1           HE1      LYS   1  19.558  16.415  -7.386
   13    HZ1  LYS   1           HZ1      LYS   1  17.559  15.564  -8.129
   14    HZ2  LYS   1           HZ2      LYS   1  16.629  16.738  -7.327
   15    HZ3  LYS   1           HZ3      LYS   1  17.373  15.490  -6.446
   16    H    LYS   2           HN       LYS   2  21.493  14.663  -2.371
   17    HA   LYS   2           HA       LYS   2  21.453  12.515  -4.158
   18    HB2  LYS   2           HB2      LYS   2  23.509  13.657  -3.329
   19    HB3  LYS   2           HB1      LYS   2  23.291  12.850  -1.776
   20    HG2  LYS   2           HG2      LYS   2  23.085  10.867  -3.818
   21    HG3  LYS   2           HG1      LYS   2  24.531  11.822  -4.141
   22    HD2  LYS   2           HD2      LYS   2  23.847  10.585  -1.458
   23    HD3  LYS   2           HD1      LYS   2  24.988   9.905  -2.617
   24    HE2  LYS   2           HE2      LYS   2  25.667  12.649  -2.256
   25    HE3  LYS   2           HE1      LYS   2  25.456  11.937  -0.656
   26    HZ1  LYS   2           HZ1      LYS   2  27.305  11.122  -2.808
   27    HZ2  LYS   2           HZ2      LYS   2  26.862  10.035  -1.578
   28    HZ3  LYS   2           HZ3      LYS   2  27.656  11.487  -1.190
   29    H    HIS   3           HN       HIS   3  21.923  12.124  -0.647
   30    HA   HIS   3           HA       HIS   3  19.810  10.187  -0.408
   31    HB2  HIS   3           HB2      HIS   3  21.697   8.927  -1.569
   32    HB3  HIS   3           HB1      HIS   3  22.617   9.125  -0.078
   33    HD2  HIS   3           HD2      HIS   3  22.288   6.208   0.206
   34    HE1  HIS   3           HE1      HIS   3  18.247   6.529   1.382
   35    HE2  HIS   3           HE2      HIS   3  20.243   4.965   1.246
   36    H    THR   4           HN       THR   4  21.873   8.930   1.641
   37    HA   THR   4           HA       THR   4  21.508  11.001   3.724
   38    HB   THR   4           HB       THR   4  19.900   9.289   4.194
   39    HG1  THR   4           HG1      THR   4  21.336   8.190   6.004
   40   HG21  THR   4          HG21      THR   4  21.444   6.952   4.585
   41   HG22  THR   4          HG22      THR   4  21.903   7.590   3.007
   42   HG23  THR   4          HG23      THR   4  20.213   7.230   3.355
   43    H    ILE   5           HN       ILE   5  22.823   8.191   4.935
   44    HA   ILE   5           HA       ILE   5  25.564   9.272   4.697
   45    HB   ILE   5           HB       ILE   5  25.904   7.853   6.827
   46   HG12  ILE   5          HG12      ILE   5  23.071   8.313   7.491
   47   HG13  ILE   5          HG11      ILE   5  23.328   7.055   6.282
   48   HG21  ILE   5          HG21      ILE   5  26.044  10.095   7.297
   49   HG22  ILE   5          HG22      ILE   5  24.512   9.770   8.106
   50   HG23  ILE   5          HG23      ILE   5  24.522  10.465   6.487
   51   HD11  ILE   5          HD11      ILE   5  24.921   7.154   8.843
   52   HD12  ILE   5          HD12      ILE   5  24.737   5.803   7.726
   53   HD13  ILE   5          HD13      ILE   5  23.379   6.305   8.734
   54    H    TRP   6           HN       TRP   6  23.490   6.565   4.162
   55    HA   TRP   6           HA       TRP   6  25.120   4.372   4.150
   56    HB2  TRP   6           HB2      TRP   6  22.705   5.169   2.790
   57    HB3  TRP   6           HB1      TRP   6  23.727   4.230   1.704
   58    HD1  TRP   6           HD1      TRP   6  22.708   1.887   1.784
   59    HE1  TRP   6           HE1      TRP   6  22.174   0.187   3.641
   60    HE3  TRP   6           HE3      TRP   6  23.614   4.770   5.891
   61    HZ2  TRP   6           HZ2      TRP   6  22.136   0.068   6.493
   62    HZ3  TRP   6           HZ3      TRP   6  23.321   3.841   8.171
   63    HH2  TRP   6           HH2      TRP   6  22.584   1.494   8.477
   64    H    GLU   7           HN       GLU   7  24.731   6.585   1.371
   65    HA   GLU   7           HA       GLU   7  26.716   5.465  -0.244
   66    HB2  GLU   7           HB2      GLU   7  25.076   7.818  -0.226
   67    HB3  GLU   7           HB1      GLU   7  26.717   8.248  -0.705
   68    HG2  GLU   7           HG2      GLU   7  25.135   5.962  -1.907
   69    HG3  GLU   7           HG1      GLU   7  25.271   7.562  -2.634
   70    H    VAL   8           HN       VAL   8  27.074   7.054   2.707
   71    HA   VAL   8           HA       VAL   8  29.821   7.918   2.101
   72    HB   VAL   8           HB       VAL   8  28.342   8.403   4.682
   73   HG11  VAL   8          HG11      VAL   8  30.951   8.799   4.009
   74   HG12  VAL   8          HG12      VAL   8  30.083   9.788   5.182
   75   HG13  VAL   8          HG13      VAL   8  30.250  10.340   3.516
   76   HG21  VAL   8          HG21      VAL   8  27.680  10.587   3.724
   77   HG22  VAL   8          HG22      VAL   8  26.961   9.258   2.816
   78   HG23  VAL   8          HG23      VAL   8  28.363  10.110   2.171
   79    H    ILE   9           HN       ILE   9  27.960   5.786   4.228
   80    HA   ILE   9           HA       ILE   9  30.485   4.571   5.141
   81    HB   ILE   9           HB       ILE   9  29.488   5.279   7.088
   82   HG12  ILE   9          HG12      ILE   9  29.497   2.576   6.783
   83   HG13  ILE   9          HG11      ILE   9  29.048   3.390   8.268
   84   HG21  ILE   9          HG21      ILE   9  26.980   5.167   7.448
   85   HG22  ILE   9          HG22      ILE   9  26.847   4.764   5.734
   86   HG23  ILE   9          HG23      ILE   9  27.548   6.303   6.231
   87   HD11  ILE   9          HD11      ILE   9  26.988   2.736   6.156
   88   HD12  ILE   9          HD12      ILE   9  26.724   3.161   7.841
   89   HD13  ILE   9          HD13      ILE   9  27.424   1.599   7.424
   90    H    ALA  10           HN       ALA  10  27.160   3.823   4.126
   91    HA   ALA  10           HA       ALA  10  27.623   1.011   3.920
   92    HB1  ALA  10           HB1      ALA  10  25.490   0.935   2.776
   93    HB2  ALA  10           HB2      ALA  10  25.535   2.677   2.501
   94    HB3  ALA  10           HB3      ALA  10  25.366   2.045   4.139
   95    H    GLY  11           HN       GLY  11  26.986   3.357   1.298
   96    HA2  GLY  11           HA2      GLY  11  27.831   1.782  -0.820
   97    HA3  GLY  11           HA1      GLY  11  27.916   3.543  -0.807
   98    H    LEU  12           HN       LEU  12  29.610   3.023   1.764
   99    HA   LEU  12           HA       LEU  12  32.157   2.826   0.317
  100    HB2  LEU  12           HB2      LEU  12  31.588   4.882   1.722
  101    HB3  LEU  12           HB1      LEU  12  31.767   3.837   3.133
  102    HG   LEU  12           HG       LEU  12  34.035   3.233   1.714
  103   HD11  LEU  12          HD11      LEU  12  34.984   5.212   0.799
  104   HD12  LEU  12          HD12      LEU  12  33.731   6.232   1.504
  105   HD13  LEU  12          HD13      LEU  12  33.340   5.160   0.159
  106   HD21  LEU  12          HD21      LEU  12  33.628   5.423   3.777
  107   HD22  LEU  12          HD22      LEU  12  35.182   4.694   3.375
  108   HD23  LEU  12          HD23      LEU  12  33.915   3.717   4.118
  109    H    VAL  13           HN       VAL  13  30.189   1.320   2.760
  110    HA   VAL  13           HA       VAL  13  32.390  -0.565   3.374
  111    HB   VAL  13           HB       VAL  13  29.934   0.133   5.000
  112   HG11  VAL  13          HG11      VAL  13  32.045  -2.002   5.266
  113   HG12  VAL  13          HG12      VAL  13  30.295  -2.150   5.437
  114   HG13  VAL  13          HG13      VAL  13  31.241  -1.352   6.694
  115   HG21  VAL  13          HG21      VAL  13  31.402   1.259   6.452
  116   HG22  VAL  13          HG22      VAL  13  32.055   1.673   4.868
  117   HG23  VAL  13          HG23      VAL  13  32.816   0.409   5.834
  118    H    ALA  14           HN       ALA  14  28.838  -0.459   2.984
  119    HA   ALA  14           HA       ALA  14  28.255  -3.124   2.862
  120    HB1  ALA  14           HB1      ALA  14  26.857  -1.956   0.687
  121    HB2  ALA  14           HB2      ALA  14  27.033  -0.707   1.918
  122    HB3  ALA  14           HB3      ALA  14  26.266  -2.242   2.323
  123    H    LEU  15           HN       LEU  15  29.433  -1.123   0.159
  124    HA   LEU  15           HA       LEU  15  29.562  -3.208  -1.742
  125    HB2  LEU  15           HB2      LEU  15  31.308  -0.737  -1.580
  126    HB3  LEU  15           HB1      LEU  15  30.989  -1.707  -3.021
  127    HG   LEU  15           HG       LEU  15  28.898  -0.207  -1.422
  128   HD11  LEU  15          HD11      LEU  15  30.705   0.946  -3.070
  129   HD12  LEU  15          HD12      LEU  15  29.044   1.520  -2.927
  130   HD13  LEU  15          HD13      LEU  15  29.498   0.457  -4.258
  131   HD21  LEU  15          HD21      LEU  15  27.697  -1.945  -2.391
  132   HD22  LEU  15          HD22      LEU  15  28.803  -2.087  -3.756
  133   HD23  LEU  15          HD23      LEU  15  27.647  -0.758  -3.694
  134    H    LEU  16           HN       LEU  16  31.669  -2.173   0.817
  135    HA   LEU  16           HA       LEU  16  33.779  -4.028  -0.020
  136    HB2  LEU  16           HB2      LEU  16  33.812  -2.219   2.390
  137    HB3  LEU  16           HB1      LEU  16  35.185  -2.926   1.534
  138    HG   LEU  16           HG       LEU  16  33.286  -0.817   0.473
  139   HD11  LEU  16          HD11      LEU  16  36.283  -0.644   0.802
  140   HD12  LEU  16          HD12      LEU  16  35.188  -0.216   2.117
  141   HD13  LEU  16          HD13      LEU  16  35.127   0.671   0.593
  142   HD21  LEU  16          HD21      LEU  16  33.795  -2.135  -1.408
  143   HD22  LEU  16          HD22      LEU  16  35.425  -2.487  -0.837
  144   HD23  LEU  16          HD23      LEU  16  35.035  -0.881  -1.453
  145    H    THR  17           HN       THR  17  30.966  -4.362   1.454
  146    HA   THR  17           HA       THR  17  31.929  -6.548   3.158
  147    HB   THR  17           HB       THR  17  30.141  -4.287   4.055
  148    HG1  THR  17           HG1      THR  17  32.639  -5.342   4.714
  149   HG21  THR  17          HG21      THR  17  30.438  -7.093   5.118
  150   HG22  THR  17          HG22      THR  17  28.955  -6.191   4.796
  151   HG23  THR  17          HG23      THR  17  29.971  -5.758   6.171
  152    H    PHE  18           HN       PHE  18  28.763  -5.001   2.732
  153    HA   PHE  18           HA       PHE  18  27.185  -7.221   2.623
  154    HB2  PHE  18           HB2      PHE  18  26.574  -4.700   2.446
  155    HB3  PHE  18           HB1      PHE  18  26.677  -4.963   0.707
  156    HD1  PHE  18           HD1      PHE  18  25.224  -6.584   3.763
  157    HD2  PHE  18           HD2      PHE  18  24.748  -5.676  -0.409
  158    HE1  PHE  18           HE1      PHE  18  22.969  -7.616   3.795
  159    HE2  PHE  18           HE2      PHE  18  22.495  -6.707  -0.377
  160    HZ   PHE  18           HZ       PHE  18  21.604  -7.679   1.724
  161    H    LEU  19           HN       LEU  19  29.028  -5.810  -0.056
  162    HA   LEU  19           HA       LEU  19  28.070  -7.783  -1.948
  163    HB2  LEU  19           HB2      LEU  19  30.002  -5.490  -2.044
  164    HB3  LEU  19           HB1      LEU  19  30.003  -6.682  -3.339
  165    HG   LEU  19           HG       LEU  19  28.514  -4.676  -3.754
  166   HD11  LEU  19          HD11      LEU  19  28.023  -7.404  -4.254
  167   HD12  LEU  19          HD12      LEU  19  27.290  -6.031  -5.079
  168   HD13  LEU  19          HD13      LEU  19  26.486  -6.754  -3.687
  169   HD21  LEU  19          HD21      LEU  19  27.815  -4.648  -1.274
  170   HD22  LEU  19          HD22      LEU  19  26.683  -5.926  -1.706
  171   HD23  LEU  19          HD23      LEU  19  26.556  -4.341  -2.467
  172    H    ALA  20           HN       ALA  20  30.531  -7.622   0.399
  173    HA   ALA  20           HA       ALA  20  32.297  -9.506  -0.953
  174    HB1  ALA  20           HB1      ALA  20  33.852  -8.830   0.536
  175    HB2  ALA  20           HB2      ALA  20  32.761  -9.051   1.903
  176    HB3  ALA  20           HB3      ALA  20  32.706  -7.559   0.963
  177    H    PHE  21           HN       PHE  21  30.184  -9.447   1.913
  178    HA   PHE  21           HA       PHE  21  30.538 -12.304   2.332
  179    HB2  PHE  21           HB2      PHE  21  28.859 -10.215   3.732
  180    HB3  PHE  21           HB1      PHE  21  28.877 -11.919   4.186
  181    HD1  PHE  21           HD1      PHE  21  31.036  -8.912   3.763
  182    HD2  PHE  21           HD2      PHE  21  30.647 -12.828   5.484
  183    HE1  PHE  21           HE1      PHE  21  33.107  -8.540   5.074
  184    HE2  PHE  21           HE2      PHE  21  32.719 -12.456   6.796
  185    HZ   PHE  21           HZ       PHE  21  33.948 -10.312   6.588
  186    H    GLY  22           HN       GLY  22  28.009 -10.081   1.240
  187    HA2  GLY  22           HA2      GLY  22  25.890 -11.898   1.011
  188    HA3  GLY  22           HA1      GLY  22  26.077 -10.438   0.042
  189    H    PHE  23           HN       PHE  23  28.372 -10.978  -1.379
  190    HA   PHE  23           HA       PHE  23  27.437 -12.519  -3.507
  191    HB2  PHE  23           HB2      PHE  23  29.136 -11.061  -4.116
  192    HB3  PHE  23           HB1      PHE  23  30.118 -11.461  -2.705
  193    HD1  PHE  23           HD1      PHE  23  28.744 -12.958  -5.845
  194    HD2  PHE  23           HD2      PHE  23  31.847 -13.031  -2.875
  195    HE1  PHE  23           HE1      PHE  23  29.972 -14.655  -7.170
  196    HE2  PHE  23           HE2      PHE  23  33.073 -14.726  -4.200
  197    HZ   PHE  23           HZ       PHE  23  32.136 -15.541  -6.350
  198    H    TRP  24           HN       TRP  24  28.616 -13.496  -0.507
  199    HA   TRP  24           HA       TRP  24  29.306 -16.180  -1.517
  200    HB2  TRP  24           HB2      TRP  24  31.111 -15.232  -0.227
  201    HB3  TRP  24           HB1      TRP  24  30.007 -14.807   1.083
  202    HD1  TRP  24           HD1      TRP  24  30.774 -18.044  -0.889
  203    HE1  TRP  24           HE1      TRP  24  30.920 -19.996   0.794
  204    HE3  TRP  24           HE3      TRP  24  29.877 -15.528   3.447
  205    HZ2  TRP  24           HZ2      TRP  24  30.684 -20.426   3.607
  206    HZ3  TRP  24           HZ3      TRP  24  29.842 -16.726   5.619
  207    HH2  TRP  24           HH2      TRP  24  30.243 -19.170   5.704
  208    H    LEU  25           HN       LEU  25  28.176 -15.016   1.618
  209    HA   LEU  25           HA       LEU  25  26.817 -16.955   2.706
  210    HB2  LEU  25           HB2      LEU  25  26.150 -14.092   2.442
  211    HB3  LEU  25           HB1      LEU  25  24.840 -15.132   3.000
  212    HG   LEU  25           HG       LEU  25  27.603 -15.315   4.179
  213   HD11  LEU  25          HD11      LEU  25  25.325 -13.573   5.166
  214   HD12  LEU  25          HD12      LEU  25  26.793 -12.972   4.395
  215   HD13  LEU  25          HD13      LEU  25  26.887 -13.787   5.955
  216   HD21  LEU  25          HD21      LEU  25  26.656 -16.789   5.620
  217   HD22  LEU  25          HD22      LEU  25  25.313 -16.855   4.480
  218   HD23  LEU  25          HD23      LEU  25  25.241 -15.764   5.863
  219    H    PHE  26           HN       PHE  26  25.104 -14.993   0.246
  220    HA   PHE  26           HA       PHE  26  22.974 -16.883   0.092
  221    HB2  PHE  26           HB2      PHE  26  23.604 -14.870  -2.052
  222    HB3  PHE  26           HB1      PHE  26  22.031 -15.479  -1.541
  223    HD1  PHE  26           HD1      PHE  26  21.789 -15.217   1.218
  224    HD2  PHE  26           HD2      PHE  26  23.967 -12.648  -1.448
  225    HE1  PHE  26           HE1      PHE  26  21.583 -13.360   2.841
  226    HE2  PHE  26           HE2      PHE  26  23.764 -10.789   0.179
  227    HZ   PHE  26           HZ       PHE  26  22.576 -11.146   2.324
  228    H    LYS  27           HN       LYS  27  25.516 -15.985  -2.250
  229    HA   LYS  27           HA       LYS  27  24.871 -18.010  -4.087
  230    HB2  LYS  27           HB2      LYS  27  27.649 -16.875  -3.759
  231    HB3  LYS  27           HB1      LYS  27  26.889 -17.475  -5.227
  232    HG2  LYS  27           HG2      LYS  27  25.757 -15.081  -3.757
  233    HG3  LYS  27           HG1      LYS  27  27.057 -14.904  -4.919
  234    HD2  LYS  27           HD2      LYS  27  24.561 -16.404  -5.673
  235    HD3  LYS  27           HD1      LYS  27  24.603 -14.646  -5.735
  236    HE2  LYS  27           HE2      LYS  27  25.937 -14.622  -7.569
  237    HE3  LYS  27           HE1      LYS  27  26.947 -15.939  -6.975
  238    HZ1  LYS  27           HZ1      LYS  27  24.952 -17.406  -7.483
  239    HZ2  LYS  27           HZ2      LYS  27  25.850 -16.827  -8.804
  240    HZ3  LYS  27           HZ3      LYS  27  24.366 -16.105  -8.400
  241    H    TYR  28           HN       TYR  28  25.606 -18.664  -1.079
  242    HA   TYR  28           HA       TYR  28  26.971 -21.170  -1.793
  243    HB2  TYR  28           HB2      TYR  28  28.830 -20.430  -0.750
  244    HB3  TYR  28           HB1      TYR  28  27.982 -19.084   0.006
  245    HD1  TYR  28           HD1      TYR  28  28.241 -22.815   0.185
  246    HD2  TYR  28           HD2      TYR  28  27.551 -19.144   2.305
  247    HE1  TYR  28           HE1      TYR  28  28.159 -24.066   2.328
  248    HE2  TYR  28           HE2      TYR  28  27.470 -20.393   4.445
  249    HH   TYR  28           HH       TYR  28  28.660 -23.267   4.941
  250    H    LEU  29           HN       LEU  29  24.979 -19.348   0.483
  251    HA   LEU  29           HA       LEU  29  24.095 -21.868   1.718
  252    HB2  LEU  29           HB2      LEU  29  24.848 -19.610   2.946
  253    HB3  LEU  29           HB1      LEU  29  23.138 -19.240   2.728
  254    HG   LEU  29           HG       LEU  29  24.241 -21.746   4.034
  255   HD11  LEU  29          HD11      LEU  29  24.594 -19.880   5.504
  256   HD12  LEU  29          HD12      LEU  29  23.148 -20.712   6.078
  257   HD13  LEU  29          HD13      LEU  29  22.995 -19.222   5.149
  258   HD21  LEU  29          HD21      LEU  29  21.492 -20.805   3.285
  259   HD22  LEU  29          HD22      LEU  29  21.692 -21.748   4.760
  260   HD23  LEU  29          HD23      LEU  29  22.176 -22.427   3.208
  261    H    GLN  30           HN       GLN  30  22.845 -19.003   0.059
  262    HA   GLN  30           HA       GLN  30  20.103 -19.825   0.232
  263    HB2  GLN  30           HB2      GLN  30  20.499 -17.503  -0.047
  264    HB3  GLN  30           HB1      GLN  30  21.544 -17.770  -1.436
  265    HG2  GLN  30           HG2      GLN  30  19.788 -18.245  -2.863
  266    HG3  GLN  30           HG1      GLN  30  18.703 -18.696  -1.547
  267   HE21  GLN  30          HE21      GLN  30  20.420 -15.820  -0.793
  268   HE22  GLN  30          HE22      GLN  30  19.201 -14.718  -1.210
  269    H    LYS  31           HN       LYS  31  22.719 -20.874  -1.631
  270    HA   LYS  31           HA       LYS  31  20.883 -22.329  -3.421
  271    HB2  LYS  31           HB2      LYS  31  23.386 -20.844  -4.255
  272    HB3  LYS  31           HB1      LYS  31  22.531 -21.998  -5.279
  273    HG2  LYS  31           HG2      LYS  31  21.230 -20.286  -5.963
  274    HG3  LYS  31           HG1      LYS  31  20.536 -20.253  -4.343
  275    HD2  LYS  31           HD2      LYS  31  22.321 -18.715  -3.607
  276    HD3  LYS  31           HD1      LYS  31  22.997 -18.738  -5.237
  277    HE2  LYS  31           HE2      LYS  31  21.440 -17.296  -6.031
  278    HE3  LYS  31           HE1      LYS  31  20.129 -18.109  -5.179
  279    HZ1  LYS  31           HZ1      LYS  31  20.218 -16.119  -4.082
  280    HZ2  LYS  31           HZ2      LYS  31  21.902 -15.962  -4.249
  281    HZ3  LYS  31           HZ3      LYS  31  21.256 -17.047  -3.112
  282    H    LYS  32           HN       LYS  32  21.203 -24.151  -2.104
  283    HA   LYS  32           HA       LYS  32  23.645 -25.615  -2.725
  284    HB2  LYS  32           HB2      LYS  32  23.878 -26.267  -0.269
  285    HB3  LYS  32           HB1      LYS  32  24.392 -24.633  -0.693
  286    HG2  LYS  32           HG2      LYS  32  22.836 -23.716   0.653
  287    HG3  LYS  32           HG1      LYS  32  21.557 -24.700  -0.055
  288    HD2  LYS  32           HD2      LYS  32  22.244 -26.601   1.379
  289    HD3  LYS  32           HD1      LYS  32  23.482 -25.582   2.113
  290    HE2  LYS  32           HE2      LYS  32  21.964 -24.738   3.539
  291    HE3  LYS  32           HE1      LYS  32  20.990 -24.169   2.181
  292    HZ1  LYS  32           HZ1      LYS  32  19.894 -25.792   3.745
  293    HZ2  LYS  32           HZ2      LYS  32  20.931 -26.980   3.111
  294    HZ3  LYS  32           HZ3      LYS  32  19.823 -26.185   2.097
  Start of MODEL   49
    1    H1   LYS   1           HT1      LYS   1  20.506  17.618  -2.270
    2    H2   LYS   1           HT2      LYS   1  22.181  17.843  -2.094
    3    H3   LYS   1           HT3      LYS   1  21.096  18.969  -1.431
    4    HA   LYS   1           HA       LYS   1  21.785  17.717   0.391
    5    HB2  LYS   1           HB2      LYS   1  19.201  16.556  -0.691
    6    HB3  LYS   1           HB1      LYS   1  19.751  16.395   0.977
    7    HG2  LYS   1           HG2      LYS   1  19.386  18.627   1.462
    8    HG3  LYS   1           HG1      LYS   1  19.635  19.139  -0.207
    9    HD2  LYS   1           HD2      LYS   1  17.288  17.387   0.436
   10    HD3  LYS   1           HD1      LYS   1  17.200  19.107   0.815
   11    HE2  LYS   1           HE2      LYS   1  17.298  19.744  -1.410
   12    HE3  LYS   1           HE1      LYS   1  18.186  18.300  -1.892
   13    HZ1  LYS   1           HZ1      LYS   1  16.231  16.993  -1.703
   14    HZ2  LYS   1           HZ2      LYS   1  15.824  18.362  -2.622
   15    HZ3  LYS   1           HZ3      LYS   1  15.362  18.263  -0.991
   16    H    LYS   2           HN       LYS   2  21.452  15.919  -2.551
   17    HA   LYS   2           HA       LYS   2  22.275  13.890  -3.242
   18    HB2  LYS   2           HB2      LYS   2  24.391  14.925  -2.416
   19    HB3  LYS   2           HB1      LYS   2  24.109  14.170  -0.849
   20    HG2  LYS   2           HG2      LYS   2  23.792  12.148  -2.828
   21    HG3  LYS   2           HG1      LYS   2  25.286  13.012  -3.194
   22    HD2  LYS   2           HD2      LYS   2  24.556  11.886  -0.473
   23    HD3  LYS   2           HD1      LYS   2  25.663  11.126  -1.617
   24    HE2  LYS   2           HE2      LYS   2  26.490  13.828  -1.348
   25    HE3  LYS   2           HE1      LYS   2  26.210  13.214   0.281
   26    HZ1  LYS   2           HZ1      LYS   2  28.146  12.344  -1.730
   27    HZ2  LYS   2           HZ2      LYS   2  27.489  11.157  -0.707
   28    HZ3  LYS   2           HZ3      LYS   2  28.319  12.484  -0.049
   29    H    HIS   3           HN       HIS   3  22.864  13.418   0.223
   30    HA   HIS   3           HA       HIS   3  20.542  11.771   0.612
   31    HB2  HIS   3           HB2      HIS   3  22.125  10.303  -0.735
   32    HB3  HIS   3           HB1      HIS   3  23.201  10.340   0.663
   33    HD2  HIS   3           HD2      HIS   3  22.512   7.483   0.918
   34    HE1  HIS   3           HE1      HIS   3  18.692   8.298   2.517
   35    HE2  HIS   3           HE2      HIS   3  20.432   6.486   2.141
   36    H    THR   4           HN       THR   4  22.669  10.217   2.419
   37    HA   THR   4           HA       THR   4  22.732  12.247   4.572
   38    HB   THR   4           HB       THR   4  20.977  10.728   5.167
   39    HG1  THR   4           HG1      THR   4  22.076  11.013   6.974
   40   HG21  THR   4          HG21      THR   4  20.953   8.672   4.265
   41   HG22  THR   4          HG22      THR   4  22.250   8.210   5.363
   42   HG23  THR   4          HG23      THR   4  22.634   8.835   3.757
   43    H    ILE   5           HN       ILE   5  23.796   9.259   5.588
   44    HA   ILE   5           HA       ILE   5  26.617  10.003   5.108
   45    HB   ILE   5           HB       ILE   5  26.977   8.491   7.168
   46   HG12  ILE   5          HG12      ILE   5  24.296   9.263   8.116
   47   HG13  ILE   5          HG11      ILE   5  24.279   8.029   6.855
   48   HG21  ILE   5          HG21      ILE   5  27.369  10.829   7.377
   49   HG22  ILE   5          HG22      ILE   5  26.261  10.431   8.689
   50   HG23  ILE   5          HG23      ILE   5  25.653  11.207   7.227
   51   HD11  ILE   5          HD11      ILE   5  24.468   7.190   9.271
   52   HD12  ILE   5          HD12      ILE   5  26.108   7.837   9.246
   53   HD13  ILE   5          HD13      ILE   5  25.646   6.560   8.120
   54    H    TRP   6           HN       TRP   6  24.177   7.590   4.732
   55    HA   TRP   6           HA       TRP   6  25.510   5.215   4.519
   56    HB2  TRP   6           HB2      TRP   6  23.094   6.343   3.426
   57    HB3  TRP   6           HB1      TRP   6  23.879   5.322   2.221
   58    HD1  TRP   6           HD1      TRP   6  22.586   3.124   2.356
   59    HE1  TRP   6           HE1      TRP   6  22.021   1.443   4.220
   60    HE3  TRP   6           HE3      TRP   6  24.242   5.733   6.411
   61    HZ2  TRP   6           HZ2      TRP   6  22.241   1.233   7.059
   62    HZ3  TRP   6           HZ3      TRP   6  24.052   4.772   8.689
   63    HH2  TRP   6           HH2      TRP   6  23.055   2.526   9.018
   64    H    GLU   7           HN       GLU   7  25.124   7.527   1.826
   65    HA   GLU   7           HA       GLU   7  26.799   6.212   0.011
   66    HB2  GLU   7           HB2      GLU   7  25.442   8.736   0.205
   67    HB3  GLU   7           HB1      GLU   7  27.063   8.983  -0.447
   68    HG2  GLU   7           HG2      GLU   7  25.115   6.901  -1.471
   69    HG3  GLU   7           HG1      GLU   7  25.347   8.486  -2.209
   70    H    VAL   8           HN       VAL   8  27.638   7.599   2.935
   71    HA   VAL   8           HA       VAL   8  30.387   8.203   2.060
   72    HB   VAL   8           HB       VAL   8  29.242   8.803   4.782
   73   HG11  VAL   8          HG11      VAL   8  31.053  10.338   4.930
   74   HG12  VAL   8          HG12      VAL   8  31.370  10.248   3.198
   75   HG13  VAL   8          HG13      VAL   8  31.748   8.873   4.236
   76   HG21  VAL   8          HG21      VAL   8  29.181  10.544   2.294
   77   HG22  VAL   8          HG22      VAL   8  28.722  11.063   3.915
   78   HG23  VAL   8          HG23      VAL   8  27.771   9.836   3.080
   79    H    ILE   9           HN       ILE   9  28.498   6.258   4.332
   80    HA   ILE   9           HA       ILE   9  30.938   4.738   4.987
   81    HB   ILE   9           HB       ILE   9  30.229   5.516   7.030
   82   HG12  ILE   9          HG12      ILE   9  29.880   2.842   6.702
   83   HG13  ILE   9          HG11      ILE   9  29.671   3.671   8.231
   84   HG21  ILE   9          HG21      ILE   9  28.359   6.786   6.382
   85   HG22  ILE   9          HG22      ILE   9  27.773   5.701   7.635
   86   HG23  ILE   9          HG23      ILE   9  27.427   5.359   5.936
   87   HD11  ILE   9          HD11      ILE   9  27.361   3.316   6.313
   88   HD12  ILE   9          HD12      ILE   9  27.308   3.727   8.022
   89   HD13  ILE   9          HD13      ILE   9  27.771   2.104   7.521
   90    H    ALA  10           HN       ALA  10  27.470   4.436   4.278
   91    HA   ALA  10           HA       ALA  10  27.550   1.588   4.007
   92    HB1  ALA  10           HB1      ALA  10  25.474   2.876   4.473
   93    HB2  ALA  10           HB2      ALA  10  25.319   1.804   3.083
   94    HB3  ALA  10           HB3      ALA  10  25.550   3.535   2.838
   95    H    GLY  11           HN       GLY  11  26.949   4.056   1.484
   96    HA2  GLY  11           HA2      GLY  11  27.379   2.431  -0.722
   97    HA3  GLY  11           HA1      GLY  11  27.687   4.168  -0.703
   98    H    LEU  12           HN       LEU  12  29.542   3.386   1.682
   99    HA   LEU  12           HA       LEU  12  31.894   2.912  -0.008
  100    HB2  LEU  12           HB2      LEU  12  31.694   4.971   1.519
  101    HB3  LEU  12           HB1      LEU  12  31.935   3.847   2.857
  102    HG   LEU  12           HG       LEU  12  33.933   3.091   1.135
  103   HD11  LEU  12          HD11      LEU  12  34.957   4.998   0.168
  104   HD12  LEU  12          HD12      LEU  12  33.949   6.110   1.093
  105   HD13  LEU  12          HD13      LEU  12  33.248   5.175  -0.228
  106   HD21  LEU  12          HD21      LEU  12  34.159   3.459   3.552
  107   HD22  LEU  12          HD22      LEU  12  34.019   5.200   3.317
  108   HD23  LEU  12          HD23      LEU  12  35.424   4.336   2.692
  109    H    VAL  13           HN       VAL  13  30.012   1.615   2.631
  110    HA   VAL  13           HA       VAL  13  31.988  -0.565   2.967
  111    HB   VAL  13           HB       VAL  13  29.824   0.389   4.857
  112   HG11  VAL  13          HG11      VAL  13  31.464  -1.331   6.240
  113   HG12  VAL  13          HG12      VAL  13  31.370  -2.109   4.661
  114   HG13  VAL  13          HG13      VAL  13  29.895  -1.766   5.563
  115   HG21  VAL  13          HG21      VAL  13  32.101   1.658   4.510
  116   HG22  VAL  13          HG22      VAL  13  32.785   0.294   5.393
  117   HG23  VAL  13          HG23      VAL  13  31.555   1.305   6.149
  118    H    ALA  14           HN       ALA  14  28.465   0.026   2.945
  119    HA   ALA  14           HA       ALA  14  27.494  -2.521   2.867
  120    HB1  ALA  14           HB1      ALA  14  26.183  -0.340   2.690
  121    HB2  ALA  14           HB2      ALA  14  25.576  -1.688   1.729
  122    HB3  ALA  14           HB3      ALA  14  26.503  -0.401   0.958
  123    H    LEU  15           HN       LEU  15  28.788  -0.699   0.088
  124    HA   LEU  15           HA       LEU  15  28.391  -2.797  -1.781
  125    HB2  LEU  15           HB2      LEU  15  28.788  -0.417  -2.422
  126    HB3  LEU  15           HB1      LEU  15  30.453  -0.574  -1.866
  127    HG   LEU  15           HG       LEU  15  30.812  -2.411  -3.500
  128   HD11  LEU  15          HD11      LEU  15  28.879  -2.329  -5.358
  129   HD12  LEU  15          HD12      LEU  15  27.896  -1.938  -3.949
  130   HD13  LEU  15          HD13      LEU  15  28.810  -3.446  -3.996
  131   HD21  LEU  15          HD21      LEU  15  30.428  -0.901  -5.593
  132   HD22  LEU  15          HD22      LEU  15  31.512  -0.324  -4.327
  133   HD23  LEU  15          HD23      LEU  15  29.863   0.295  -4.427
  134    H    LEU  16           HN       LEU  16  30.905  -2.007   0.500
  135    HA   LEU  16           HA       LEU  16  32.613  -4.187  -0.468
  136    HB2  LEU  16           HB2      LEU  16  33.218  -2.346   1.838
  137    HB3  LEU  16           HB1      LEU  16  34.347  -3.244   0.823
  138    HG   LEU  16           HG       LEU  16  32.620  -0.908  -0.042
  139   HD11  LEU  16          HD11      LEU  16  34.617   0.343  -0.154
  140   HD12  LEU  16          HD12      LEU  16  35.628  -1.102  -0.119
  141   HD13  LEU  16          HD13      LEU  16  34.794  -0.575   1.342
  142   HD21  LEU  16          HD21      LEU  16  34.052  -1.207  -2.173
  143   HD22  LEU  16          HD22      LEU  16  32.729  -2.346  -1.923
  144   HD23  LEU  16          HD23      LEU  16  34.387  -2.828  -1.564
  145    H    THR  17           HN       THR  17  29.958  -4.267   1.130
  146    HA   THR  17           HA       THR  17  30.886  -6.278   3.073
  147    HB   THR  17           HB       THR  17  29.259  -3.839   3.604
  148    HG1  THR  17           HG1      THR  17  31.371  -4.091   4.388
  149   HG21  THR  17          HG21      THR  17  28.344  -5.077   5.658
  150   HG22  THR  17          HG22      THR  17  28.723  -6.560   4.787
  151   HG23  THR  17          HG23      THR  17  27.560  -5.415   4.118
  152    H    PHE  18           HN       PHE  18  27.875  -4.837   1.809
  153    HA   PHE  18           HA       PHE  18  26.185  -6.982   1.994
  154    HB2  PHE  18           HB2      PHE  18  25.877  -4.565   0.960
  155    HB3  PHE  18           HB1      PHE  18  26.163  -5.418  -0.557
  156    HD1  PHE  18           HD1      PHE  18  24.152  -5.680   2.594
  157    HD2  PHE  18           HD2      PHE  18  24.372  -6.493  -1.617
  158    HE1  PHE  18           HE1      PHE  18  21.818  -6.518   2.634
  159    HE2  PHE  18           HE2      PHE  18  22.040  -7.330  -1.577
  160    HZ   PHE  18           HZ       PHE  18  20.761  -7.342   0.547
  161    H    LEU  19           HN       LEU  19  28.448  -6.291  -0.665
  162    HA   LEU  19           HA       LEU  19  27.873  -8.792  -2.001
  163    HB2  LEU  19           HB2      LEU  19  29.817  -6.539  -2.465
  164    HB3  LEU  19           HB1      LEU  19  29.962  -8.046  -3.362
  165    HG   LEU  19           HG       LEU  19  28.614  -6.298  -4.555
  166   HD11  LEU  19          HD11      LEU  19  26.522  -8.280  -4.026
  167   HD12  LEU  19          HD12      LEU  19  28.097  -9.015  -4.322
  168   HD13  LEU  19          HD13      LEU  19  27.390  -7.936  -5.522
  169   HD21  LEU  19          HD21      LEU  19  27.638  -5.422  -2.366
  170   HD22  LEU  19          HD22      LEU  19  26.539  -6.802  -2.417
  171   HD23  LEU  19          HD23      LEU  19  26.498  -5.595  -3.702
  172    H    ALA  20           HN       ALA  20  30.546  -7.424  -0.112
  173    HA   ALA  20           HA       ALA  20  32.496  -9.291  -0.288
  174    HB1  ALA  20           HB1      ALA  20  32.154  -7.221   1.340
  175    HB2  ALA  20           HB2      ALA  20  33.316  -8.495   1.709
  176    HB3  ALA  20           HB3      ALA  20  31.731  -8.495   2.483
  177    H    PHE  21           HN       PHE  21  29.773  -9.545   2.022
  178    HA   PHE  21           HA       PHE  21  30.427 -12.347   2.475
  179    HB2  PHE  21           HB2      PHE  21  28.140 -10.740   3.625
  180    HB3  PHE  21           HB1      PHE  21  28.743 -12.291   4.203
  181    HD1  PHE  21           HD2      PHE  21  31.446 -12.265   4.575
  182    HD2  PHE  21           HD1      PHE  21  28.825  -8.873   4.832
  183    HE1  PHE  21           HE2      PHE  21  33.102 -11.093   6.001
  184    HE2  PHE  21           HE1      PHE  21  30.480  -7.700   6.257
  185    HZ   PHE  21           HZ       PHE  21  32.618  -8.811   6.843
  186    H    GLY  22           HN       GLY  22  28.018 -10.373   0.870
  187    HA2  GLY  22           HA2      GLY  22  25.992 -12.199   0.399
  188    HA3  GLY  22           HA1      GLY  22  26.449 -10.921  -0.727
  189    H    PHE  23           HN       PHE  23  29.017 -11.723  -1.407
  190    HA   PHE  23           HA       PHE  23  28.573 -13.537  -3.476
  191    HB2  PHE  23           HB2      PHE  23  30.858 -12.160  -2.319
  192    HB3  PHE  23           HB1      PHE  23  31.287 -13.774  -2.888
  193    HD1  PHE  23           HD1      PHE  23  30.103 -14.423  -5.220
  194    HD2  PHE  23           HD2      PHE  23  30.963 -10.431  -3.887
  195    HE1  PHE  23           HE1      PHE  23  30.027 -13.622  -7.566
  196    HE2  PHE  23           HE2      PHE  23  30.887  -9.630  -6.230
  197    HZ   PHE  23           HZ       PHE  23  30.416 -11.227  -8.072
  198    H    TRP  24           HN       TRP  24  29.082 -14.079  -0.142
  199    HA   TRP  24           HA       TRP  24  29.694 -16.921  -0.583
  200    HB2  TRP  24           HB2      TRP  24  31.204 -15.938   0.985
  201    HB3  TRP  24           HB1      TRP  24  29.889 -15.154   1.858
  202    HD1  TRP  24           HD1      TRP  24  30.655 -18.792   0.793
  203    HE1  TRP  24           HE1      TRP  24  30.147 -20.339   2.795
  204    HE3  TRP  24           HE3      TRP  24  29.114 -15.331   4.193
  205    HZ2  TRP  24           HZ2      TRP  24  29.210 -20.125   5.486
  206    HZ3  TRP  24           HZ3      TRP  24  28.417 -16.021   6.473
  207    HH2  TRP  24           HH2      TRP  24  28.462 -18.413   7.121
  208    H    LEU  25           HN       LEU  25  27.910 -15.261   1.975
  209    HA   LEU  25           HA       LEU  25  26.149 -16.918   2.922
  210    HB2  LEU  25           HB2      LEU  25  25.783 -14.126   2.021
  211    HB3  LEU  25           HB1      LEU  25  24.314 -15.023   2.403
  212    HG   LEU  25           HG       LEU  25  26.651 -15.148   4.275
  213   HD11  LEU  25          HD11      LEU  25  24.583 -12.934   4.143
  214   HD12  LEU  25          HD12      LEU  25  26.321 -12.754   3.908
  215   HD13  LEU  25          HD13      LEU  25  25.686 -13.196   5.493
  216   HD21  LEU  25          HD21      LEU  25  23.797 -14.960   5.116
  217   HD22  LEU  25          HD22      LEU  25  25.099 -15.952   5.774
  218   HD23  LEU  25          HD23      LEU  25  24.292 -16.433   4.280
  219    H    PHE  26           HN       PHE  26  25.241 -15.335  -0.155
  220    HA   PHE  26           HA       PHE  26  23.122 -17.187  -0.583
  221    HB2  PHE  26           HB2      PHE  26  24.386 -15.509  -2.740
  222    HB3  PHE  26           HB1      PHE  26  22.706 -16.023  -2.593
  223    HD1  PHE  26           HD1      PHE  26  21.769 -15.389  -0.043
  224    HD2  PHE  26           HD2      PHE  26  24.673 -13.226  -2.356
  225    HE1  PHE  26           HE1      PHE  26  21.241 -13.330   1.223
  226    HE2  PHE  26           HE2      PHE  26  24.145 -11.164  -1.086
  227    HZ   PHE  26           HZ       PHE  26  22.431 -11.217   0.705
  228    H    LYS  27           HN       LYS  27  26.136 -16.707  -2.454
  229    HA   LYS  27           HA       LYS  27  25.871 -18.956  -4.061
  230    HB2  LYS  27           HB2      LYS  27  28.552 -18.005  -3.079
  231    HB3  LYS  27           HB1      LYS  27  28.139 -18.687  -4.650
  232    HG2  LYS  27           HG2      LYS  27  27.301 -15.973  -3.576
  233    HG3  LYS  27           HG1      LYS  27  28.419 -16.290  -4.900
  234    HD2  LYS  27           HD2      LYS  27  26.284 -17.640  -5.829
  235    HD3  LYS  27           HD1      LYS  27  25.443 -16.430  -4.859
  236    HE2  LYS  27           HE2      LYS  27  25.646 -15.321  -6.891
  237    HE3  LYS  27           HE1      LYS  27  27.118 -14.779  -6.082
  238    HZ1  LYS  27           HZ1      LYS  27  28.199 -15.647  -7.800
  239    HZ2  LYS  27           HZ2      LYS  27  26.816 -16.453  -8.376
  240    HZ3  LYS  27           HZ3      LYS  27  27.790 -17.175  -7.185
  241    H    TYR  28           HN       TYR  28  26.542 -18.854  -0.711
  242    HA   TYR  28           HA       TYR  28  27.619 -21.599  -0.762
  243    HB2  TYR  28           HB2      TYR  28  28.947 -20.756   0.842
  244    HB3  TYR  28           HB1      TYR  28  27.921 -19.343   1.068
  245    HD1  TYR  28           HD2      TYR  28  27.947 -23.030   1.726
  246    HD2  TYR  28           HD1      TYR  28  26.664 -19.147   3.023
  247    HE1  TYR  28           HE2      TYR  28  27.006 -24.031   3.794
  248    HE2  TYR  28           HE1      TYR  28  25.719 -20.141   5.088
  249    HH   TYR  28           HH       TYR  28  26.123 -22.218   6.475
  250    H    LEU  29           HN       LEU  29  24.932 -19.679   0.560
  251    HA   LEU  29           HA       LEU  29  23.705 -22.153   1.562
  252    HB2  LEU  29           HB2      LEU  29  23.809 -19.696   2.684
  253    HB3  LEU  29           HB1      LEU  29  22.269 -19.575   1.833
  254    HG   LEU  29           HG       LEU  29  23.046 -21.785   3.760
  255   HD11  LEU  29          HD11      LEU  29  21.126 -20.730   5.083
  256   HD12  LEU  29          HD12      LEU  29  21.276 -19.346   4.002
  257   HD13  LEU  29          HD13      LEU  29  22.631 -19.813   5.031
  258   HD21  LEU  29          HD21      LEU  29  21.536 -22.772   2.251
  259   HD22  LEU  29          HD22      LEU  29  20.648 -21.268   2.011
  260   HD23  LEU  29          HD23      LEU  29  20.470 -22.165   3.519
  261    H    GLN  30           HN       GLN  30  23.023 -19.506  -0.703
  262    HA   GLN  30           HA       GLN  30  20.480 -20.177  -1.553
  263    HB2  GLN  30           HB2      GLN  30  22.073 -18.251  -2.291
  264    HB3  GLN  30           HB1      GLN  30  22.582 -19.374  -3.544
  265    HG2  GLN  30           HG2      GLN  30  20.835 -18.240  -4.586
  266    HG3  GLN  30           HG1      GLN  30  20.016 -19.664  -3.946
  267   HE21  GLN  30          HE21      GLN  30  21.082 -16.720  -2.171
  268   HE22  GLN  30          HE22      GLN  30  19.525 -16.297  -1.640
  269    H    LYS  31           HN       LYS  31  23.566 -21.621  -2.439
  270    HA   LYS  31           HA       LYS  31  22.261 -23.439  -4.325
  271    HB2  LYS  31           HB2      LYS  31  25.085 -22.678  -3.698
  272    HB3  LYS  31           HB1      LYS  31  24.774 -24.242  -4.454
  273    HG2  LYS  31           HG2      LYS  31  25.173 -22.498  -6.157
  274    HG3  LYS  31           HG1      LYS  31  23.529 -23.128  -6.267
  275    HD2  LYS  31           HD2      LYS  31  22.612 -21.210  -5.188
  276    HD3  LYS  31           HD1      LYS  31  24.202 -20.662  -4.653
  277    HE2  LYS  31           HE2      LYS  31  24.866 -20.274  -6.994
  278    HE3  LYS  31           HE1      LYS  31  23.283 -20.828  -7.538
  279    HZ1  LYS  31           HZ1      LYS  31  22.461 -18.821  -7.171
  280    HZ2  LYS  31           HZ2      LYS  31  24.008 -18.266  -6.743
  281    HZ3  LYS  31           HZ3      LYS  31  22.956 -18.863  -5.549
  282    H    LYS  32           HN       LYS  32  24.170 -23.556  -1.331
  283    HA   LYS  32           HA       LYS  32  23.450 -26.396  -1.020
  284    HB2  LYS  32           HB2      LYS  32  25.317 -25.051   0.873
  285    HB3  LYS  32           HB1      LYS  32  25.355 -26.689   0.230
  286    HG2  LYS  32           HG2      LYS  32  26.033 -24.186  -1.353
  287    HG3  LYS  32           HG1      LYS  32  27.207 -25.298  -0.663
  288    HD2  LYS  32           HD2      LYS  32  26.400 -27.115  -2.056
  289    HD3  LYS  32           HD1      LYS  32  25.087 -26.114  -2.672
  290    HE2  LYS  32           HE2      LYS  32  26.771 -26.040  -4.353
  291    HE3  LYS  32           HE1      LYS  32  26.899 -24.503  -3.500
  292    HZ1  LYS  32           HZ1      LYS  32  28.844 -26.511  -3.792
  293    HZ2  LYS  32           HZ2      LYS  32  28.479 -26.347  -2.141
  294    HZ3  LYS  32           HZ3      LYS  32  28.990 -24.998  -3.039
  Start of MODEL   50
    1    H1   LYS   1           HT1      LYS   1  24.952  18.196  -0.063
    2    H2   LYS   1           HT2      LYS   1  24.964  16.730  -0.922
    3    H3   LYS   1           HT3      LYS   1  24.472  16.762   0.704
    4    HA   LYS   1           HA       LYS   1  22.439  17.660   0.246
    5    HB2  LYS   1           HB2      LYS   1  22.034  18.860  -1.957
    6    HB3  LYS   1           HB1      LYS   1  23.174  19.656  -0.872
    7    HG2  LYS   1           HG2      LYS   1  25.061  18.716  -2.102
    8    HG3  LYS   1           HG1      LYS   1  23.962  17.813  -3.145
    9    HD2  LYS   1           HD2      LYS   1  23.332  20.673  -3.033
   10    HD3  LYS   1           HD1      LYS   1  24.944  20.350  -3.668
   11    HE2  LYS   1           HE2      LYS   1  22.430  18.972  -4.649
   12    HE3  LYS   1           HE1      LYS   1  23.164  20.368  -5.437
   13    HZ1  LYS   1           HZ1      LYS   1  23.778  17.857  -6.042
   14    HZ2  LYS   1           HZ2      LYS   1  24.950  18.156  -4.849
   15    HZ3  LYS   1           HZ3      LYS   1  24.863  19.148  -6.225
   16    H    LYS   2           HN       LYS   2  23.942  15.148  -0.570
   17    HA   LYS   2           HA       LYS   2  22.303  14.231  -2.827
   18    HB2  LYS   2           HB2      LYS   2  23.766  12.137  -2.529
   19    HB3  LYS   2           HB1      LYS   2  24.562  13.601  -3.108
   20    HG2  LYS   2           HG2      LYS   2  25.720  13.917  -1.151
   21    HG3  LYS   2           HG1      LYS   2  24.437  13.224  -0.158
   22    HD2  LYS   2           HD2      LYS   2  25.096  11.008  -0.638
   23    HD3  LYS   2           HD1      LYS   2  26.041  11.501  -2.043
   24    HE2  LYS   2           HE2      LYS   2  26.709  12.269   0.812
   25    HE3  LYS   2           HE1      LYS   2  27.456  10.927  -0.056
   26    HZ1  LYS   2           HZ1      LYS   2  27.759  12.904  -1.815
   27    HZ2  LYS   2           HZ2      LYS   2  28.926  12.498  -0.648
   28    HZ3  LYS   2           HZ3      LYS   2  27.850  13.782  -0.367
   29    H    HIS   3           HN       HIS   3  23.324  11.769  -0.744
   30    HA   HIS   3           HA       HIS   3  20.552  11.243   0.043
   31    HB2  HIS   3           HB2      HIS   3  22.017   9.479  -1.033
   32    HB3  HIS   3           HB1      HIS   3  22.961   9.469   0.458
   33    HD2  HIS   3           HD2      HIS   3  21.834   6.743   0.756
   34    HE1  HIS   3           HE1      HIS   3  18.093   8.206   2.050
   35    HE2  HIS   3           HE2      HIS   3  19.554   6.138   1.874
   36    H    THR   4           HN       THR   4  22.130   9.521   2.192
   37    HA   THR   4           HA       THR   4  22.068  11.637   4.258
   38    HB   THR   4           HB       THR   4  20.351  10.053   4.735
   39    HG1  THR   4           HG1      THR   4  21.126   9.192   6.670
   40   HG21  THR   4          HG21      THR   4  20.487   8.013   3.799
   41   HG22  THR   4          HG22      THR   4  21.650   7.576   5.048
   42   HG23  THR   4          HG23      THR   4  22.213   8.209   3.500
   43    H    ILE   5           HN       ILE   5  23.195   8.645   5.305
   44    HA   ILE   5           HA       ILE   5  25.993   9.595   5.208
   45    HB   ILE   5           HB       ILE   5  26.203   7.977   7.215
   46   HG12  ILE   5          HG12      ILE   5  23.385   8.568   7.853
   47   HG13  ILE   5          HG11      ILE   5  23.603   7.383   6.564
   48   HG21  ILE   5          HG21      ILE   5  26.445  10.307   7.603
   49   HG22  ILE   5          HG22      ILE   5  25.191   9.792   8.733
   50   HG23  ILE   5          HG23      ILE   5  24.748  10.623   7.241
   51   HD11  ILE   5          HD11      ILE   5  25.107   7.214   9.175
   52   HD12  ILE   5          HD12      ILE   5  24.909   5.960   7.951
   53   HD13  ILE   5          HD13      ILE   5  23.534   6.452   8.943
   54    H    TRP   6           HN       TRP   6  23.788   7.028   4.473
   55    HA   TRP   6           HA       TRP   6  25.293   4.769   4.268
   56    HB2  TRP   6           HB2      TRP   6  22.963   5.831   2.926
   57    HB3  TRP   6           HB1      TRP   6  23.952   4.903   1.800
   58    HD1  TRP   6           HD1      TRP   6  22.733   2.656   1.685
   59    HE1  TRP   6           HE1      TRP   6  22.044   0.861   3.395
   60    HE3  TRP   6           HE3      TRP   6  23.804   5.124   6.016
   61    HZ2  TRP   6           HZ2      TRP   6  21.959   0.520   6.227
   62    HZ3  TRP   6           HZ3      TRP   6  23.411   4.044   8.211
   63    HH2  TRP   6           HH2      TRP   6  22.489   1.744   8.324
   64    H    GLU   7           HN       GLU   7  24.961   6.983   1.487
   65    HA   GLU   7           HA       GLU   7  26.975   5.968  -0.089
   66    HB2  GLU   7           HB2      GLU   7  25.667   8.603   0.204
   67    HB3  GLU   7           HB1      GLU   7  27.212   8.601  -0.647
   68    HG2  GLU   7           HG2      GLU   7  26.381   6.854  -2.169
   69    HG3  GLU   7           HG1      GLU   7  24.841   6.830  -1.308
   70    H    VAL   8           HN       VAL   8  27.342   7.428   2.957
   71    HA   VAL   8           HA       VAL   8  30.137   8.167   2.430
   72    HB   VAL   8           HB       VAL   8  28.716   8.598   5.046
   73   HG11  VAL   8          HG11      VAL   8  31.299   8.963   4.342
   74   HG12  VAL   8          HG12      VAL   8  30.471   9.992   5.511
   75   HG13  VAL   8          HG13      VAL   8  30.633  10.516   3.834
   76   HG21  VAL   8          HG21      VAL   8  28.055  10.824   4.185
   77   HG22  VAL   8          HG22      VAL   8  27.278   9.537   3.264
   78   HG23  VAL   8          HG23      VAL   8  28.669  10.386   2.590
   79    H    ILE   9           HN       ILE   9  28.168   5.998   4.419
   80    HA   ILE   9           HA       ILE   9  30.639   4.635   5.275
   81    HB   ILE   9           HB       ILE   9  29.681   5.287   7.259
   82   HG12  ILE   9          HG12      ILE   9  29.577   2.611   6.822
   83   HG13  ILE   9          HG11      ILE   9  29.141   3.363   8.344
   84   HG21  ILE   9          HG21      ILE   9  27.789   6.441   6.477
   85   HG22  ILE   9          HG22      ILE   9  27.168   5.262   7.626
   86   HG23  ILE   9          HG23      ILE   9  27.018   4.971   5.890
   87   HD11  ILE   9          HD11      ILE   9  26.817   3.244   7.885
   88   HD12  ILE   9          HD12      ILE   9  27.459   1.684   7.379
   89   HD13  ILE   9          HD13      ILE   9  27.082   2.910   6.179
   90    H    ALA  10           HN       ALA  10  27.302   4.142   4.181
   91    HA   ALA  10           HA       ALA  10  27.574   1.312   3.856
   92    HB1  ALA  10           HB1      ALA  10  25.384   2.438   4.092
   93    HB2  ALA  10           HB2      ALA  10  25.469   1.456   2.632
   94    HB3  ALA  10           HB3      ALA  10  25.626   3.208   2.524
   95    H    GLY  11           HN       GLY  11  27.126   3.805   1.329
   96    HA2  GLY  11           HA2      GLY  11  27.927   2.276  -0.842
   97    HA3  GLY  11           HA1      GLY  11  28.110   4.029  -0.750
   98    H    LEU  12           HN       LEU  12  29.712   3.322   1.822
   99    HA   LEU  12           HA       LEU  12  32.281   3.057   0.431
  100    HB2  LEU  12           HB2      LEU  12  31.780   5.041   1.960
  101    HB3  LEU  12           HB1      LEU  12  31.866   3.894   3.298
  102    HG   LEU  12           HG       LEU  12  34.140   3.227   2.024
  103   HD11  LEU  12          HD11      LEU  12  35.239   5.180   1.114
  104   HD12  LEU  12          HD12      LEU  12  33.877   6.211   1.557
  105   HD13  LEU  12          HD13      LEU  12  33.691   5.001   0.286
  106   HD21  LEU  12          HD21      LEU  12  35.285   4.839   3.603
  107   HD22  LEU  12          HD22      LEU  12  34.057   3.826   4.364
  108   HD23  LEU  12          HD23      LEU  12  33.694   5.507   3.971
  109    H    VAL  13           HN       VAL  13  30.172   1.541   2.749
  110    HA   VAL  13           HA       VAL  13  32.199  -0.572   3.203
  111    HB   VAL  13           HB       VAL  13  29.909   0.240   5.009
  112   HG11  VAL  13          HG11      VAL  13  32.043  -1.898   5.180
  113   HG12  VAL  13          HG12      VAL  13  30.293  -2.108   5.256
  114   HG13  VAL  13          HG13      VAL  13  31.146  -1.333   6.590
  115   HG21  VAL  13          HG21      VAL  13  32.092   1.703   4.753
  116   HG22  VAL  13          HG22      VAL  13  32.831   0.407   5.692
  117   HG23  VAL  13          HG23      VAL  13  31.481   1.321   6.362
  118    H    ALA  14           HN       ALA  14  28.653  -0.097   3.156
  119    HA   ALA  14           HA       ALA  14  27.815  -2.689   2.905
  120    HB1  ALA  14           HB1      ALA  14  26.736  -0.363   1.293
  121    HB2  ALA  14           HB2      ALA  14  26.301  -0.720   2.965
  122    HB3  ALA  14           HB3      ALA  14  25.877  -1.853   1.681
  123    H    LEU  15           HN       LEU  15  29.126  -0.617   0.342
  124    HA   LEU  15           HA       LEU  15  28.771  -2.533  -1.740
  125    HB2  LEU  15           HB2      LEU  15  29.083  -0.096  -2.153
  126    HB3  LEU  15           HB1      LEU  15  30.743  -0.237  -1.583
  127    HG   LEU  15           HG       LEU  15  31.210  -1.886  -3.380
  128   HD11  LEU  15          HD11      LEU  15  29.261  -2.953  -4.002
  129   HD12  LEU  15          HD12      LEU  15  29.311  -1.716  -5.256
  130   HD13  LEU  15          HD13      LEU  15  28.284  -1.494  -3.841
  131   HD21  LEU  15          HD21      LEU  15  31.865   0.223  -4.085
  132   HD22  LEU  15          HD22      LEU  15  30.234   0.883  -3.962
  133   HD23  LEU  15          HD23      LEU  15  30.666  -0.156  -5.320
  134    H    LEU  16           HN       LEU  16  31.260  -1.865   0.623
  135    HA   LEU  16           HA       LEU  16  33.090  -3.810  -0.560
  136    HB2  LEU  16           HB2      LEU  16  33.448  -2.319   2.038
  137    HB3  LEU  16           HB1      LEU  16  34.693  -3.040   1.016
  138    HG   LEU  16           HG       LEU  16  32.952  -0.655   0.333
  139   HD11  LEU  16          HD11      LEU  16  34.961   0.622   0.457
  140   HD12  LEU  16          HD12      LEU  16  35.966  -0.826   0.510
  141   HD13  LEU  16          HD13      LEU  16  34.968  -0.395   1.898
  142   HD21  LEU  16          HD21      LEU  16  34.588  -0.654  -1.700
  143   HD22  LEU  16          HD22      LEU  16  33.218  -1.764  -1.724
  144   HD23  LEU  16          HD23      LEU  16  34.826  -2.355  -1.305
  145    H    THR  17           HN       THR  17  30.415  -3.928   1.344
  146    HA   THR  17           HA       THR  17  31.372  -6.301   2.826
  147    HB   THR  17           HB       THR  17  29.546  -4.075   3.595
  148    HG1  THR  17           HG1      THR  17  31.283  -3.939   4.766
  149   HG21  THR  17          HG21      THR  17  28.716  -5.659   5.451
  150   HG22  THR  17          HG22      THR  17  29.220  -6.968   4.388
  151   HG23  THR  17          HG23      THR  17  27.979  -5.831   3.860
  152    H    PHE  18           HN       PHE  18  28.296  -4.902   1.670
  153    HA   PHE  18           HA       PHE  18  26.768  -7.162   1.517
  154    HB2  PHE  18           HB2      PHE  18  26.229  -4.695   0.878
  155    HB3  PHE  18           HB1      PHE  18  26.705  -5.190  -0.747
  156    HD1  PHE  18           HD2      PHE  18  24.293  -5.736   2.000
  157    HD2  PHE  18           HD1      PHE  18  25.377  -6.762  -2.027
  158    HE1  PHE  18           HE2      PHE  18  22.077  -6.796   1.673
  159    HE2  PHE  18           HE1      PHE  18  23.161  -7.822  -2.354
  160    HZ   PHE  18           HZ       PHE  18  21.509  -7.840  -0.504
  161    H    LEU  19           HN       LEU  19  29.183  -6.056  -0.824
  162    HA   LEU  19           HA       LEU  19  28.651  -8.171  -2.699
  163    HB2  LEU  19           HB2      LEU  19  30.782  -6.068  -2.425
  164    HB3  LEU  19           HB1      LEU  19  30.943  -7.352  -3.618
  165    HG   LEU  19           HG       LEU  19  29.840  -5.245  -4.488
  166   HD11  LEU  19          HD11      LEU  19  28.774  -6.552  -5.988
  167   HD12  LEU  19          HD12      LEU  19  27.625  -7.114  -4.774
  168   HD13  LEU  19          HD13      LEU  19  29.175  -7.930  -4.964
  169   HD21  LEU  19          HD21      LEU  19  27.477  -6.143  -2.832
  170   HD22  LEU  19          HD22      LEU  19  27.658  -4.644  -3.741
  171   HD23  LEU  19          HD23      LEU  19  28.598  -4.904  -2.271
  172    H    ALA  20           HN       ALA  20  30.467  -7.907   0.193
  173    HA   ALA  20           HA       ALA  20  32.251 -10.124  -0.489
  174    HB1  ALA  20           HB1      ALA  20  32.317  -9.344   2.291
  175    HB2  ALA  20           HB2      ALA  20  32.423  -7.922   1.254
  176    HB3  ALA  20           HB3      ALA  20  33.590  -9.232   1.075
  177    H    PHE  21           HN       PHE  21  29.690  -9.364   1.857
  178    HA   PHE  21           HA       PHE  21  29.600 -12.049   2.893
  179    HB2  PHE  21           HB2      PHE  21  27.864  -9.607   3.245
  180    HB3  PHE  21           HB1      PHE  21  27.476 -11.157   3.992
  181    HD1  PHE  21           HD2      PHE  21  30.407  -8.849   3.559
  182    HD2  PHE  21           HD1      PHE  21  28.307 -11.574   6.132
  183    HE1  PHE  21           HE2      PHE  21  32.016  -8.366   5.381
  184    HE2  PHE  21           HE1      PHE  21  29.914 -11.088   7.957
  185    HZ   PHE  21           HZ       PHE  21  31.768  -9.483   7.578
  186    H    GLY  22           HN       GLY  22  27.631 -10.092   0.691
  187    HA2  GLY  22           HA2      GLY  22  25.574 -11.984   0.272
  188    HA3  GLY  22           HA1      GLY  22  25.986 -10.656  -0.808
  189    H    PHE  23           HN       PHE  23  28.539 -11.284  -1.577
  190    HA   PHE  23           HA       PHE  23  28.187 -13.087  -3.650
  191    HB2  PHE  23           HB2      PHE  23  29.939 -11.454  -3.751
  192    HB3  PHE  23           HB1      PHE  23  30.681 -12.084  -2.277
  193    HD1  PHE  23           HD2      PHE  23  29.469 -13.421  -5.567
  194    HD2  PHE  23           HD1      PHE  23  32.551 -13.427  -2.574
  195    HE1  PHE  23           HE2      PHE  23  30.773 -15.042  -6.911
  196    HE2  PHE  23           HE1      PHE  23  33.853 -15.045  -3.919
  197    HZ   PHE  23           HZ       PHE  23  32.968 -15.857  -6.092
  198    H    TRP  24           HN       TRP  24  28.455 -13.733  -0.381
  199    HA   TRP  24           HA       TRP  24  29.416 -16.482  -0.870
  200    HB2  TRP  24           HB2      TRP  24  30.934 -15.394   0.627
  201    HB3  TRP  24           HB1      TRP  24  29.604 -14.748   1.592
  202    HD1  TRP  24           HD1      TRP  24  30.534 -18.288   0.344
  203    HE1  TRP  24           HE1      TRP  24  30.283 -19.929   2.321
  204    HE3  TRP  24           HE3      TRP  24  29.077 -15.042   3.986
  205    HZ2  TRP  24           HZ2      TRP  24  29.557 -19.863   5.083
  206    HZ3  TRP  24           HZ3      TRP  24  28.608 -15.851   6.286
  207    HH2  TRP  24           HH2      TRP  24  28.847 -18.257   6.836
  208    H    LEU  25           HN       LEU  25  27.632 -14.912   1.744
  209    HA   LEU  25           HA       LEU  25  26.085 -16.705   2.818
  210    HB2  LEU  25           HB2      LEU  25  25.472 -13.959   1.927
  211    HB3  LEU  25           HB1      LEU  25  24.076 -14.949   2.356
  212    HG   LEU  25           HG       LEU  25  26.518 -14.766   4.127
  213   HD11  LEU  25          HD11      LEU  25  25.562 -12.491   3.751
  214   HD12  LEU  25          HD12      LEU  25  25.367 -13.040   5.416
  215   HD13  LEU  25          HD13      LEU  25  23.998 -13.087   4.305
  216   HD21  LEU  25          HD21      LEU  25  25.349 -16.126   5.505
  217   HD22  LEU  25          HD22      LEU  25  24.220 -16.376   4.174
  218   HD23  LEU  25          HD23      LEU  25  23.907 -15.123   5.372
  219    H    PHE  26           HN       PHE  26  25.187 -15.389  -0.386
  220    HA   PHE  26           HA       PHE  26  23.032 -17.252  -0.693
  221    HB2  PHE  26           HB2      PHE  26  24.351 -15.784  -2.960
  222    HB3  PHE  26           HB1      PHE  26  22.660 -16.252  -2.787
  223    HD1  PHE  26           HD2      PHE  26  21.865 -15.363  -0.169
  224    HD2  PHE  26           HD1      PHE  26  24.527 -13.461  -2.956
  225    HE1  PHE  26           HE2      PHE  26  21.375 -13.169   0.863
  226    HE2  PHE  26           HE1      PHE  26  24.031 -11.264  -1.922
  227    HZ   PHE  26           HZ       PHE  26  22.462 -11.121  -0.010
  228    H    LYS  27           HN       LYS  27  25.807 -16.906  -2.901
  229    HA   LYS  27           HA       LYS  27  25.618 -19.330  -4.140
  230    HB2  LYS  27           HB2      LYS  27  28.419 -18.751  -3.637
  231    HB3  LYS  27           HB1      LYS  27  27.524 -18.744  -5.152
  232    HG2  LYS  27           HG2      LYS  27  27.502 -16.481  -3.130
  233    HG3  LYS  27           HG1      LYS  27  28.484 -16.519  -4.587
  234    HD2  LYS  27           HD2      LYS  27  25.575 -17.012  -4.968
  235    HD3  LYS  27           HD1      LYS  27  26.046 -15.373  -4.524
  236    HE2  LYS  27           HE2      LYS  27  27.356 -15.088  -6.444
  237    HE3  LYS  27           HE1      LYS  27  27.522 -16.825  -6.705
  238    HZ1  LYS  27           HZ1      LYS  27  25.426 -15.034  -7.536
  239    HZ2  LYS  27           HZ2      LYS  27  24.855 -16.465  -6.824
  240    HZ3  LYS  27           HZ3      LYS  27  25.885 -16.536  -8.174
  241    H    TYR  28           HN       TYR  28  26.239 -18.939  -0.840
  242    HA   TYR  28           HA       TYR  28  27.437 -21.642  -0.667
  243    HB2  TYR  28           HB2      TYR  28  28.932 -20.538   0.620
  244    HB3  TYR  28           HB1      TYR  28  27.853 -19.170   0.875
  245    HD1  TYR  28           HD2      TYR  28  28.122 -22.804   1.767
  246    HD2  TYR  28           HD1      TYR  28  26.937 -18.866   3.001
  247    HE1  TYR  28           HE2      TYR  28  27.548 -23.682   4.015
  248    HE2  TYR  28           HE1      TYR  28  26.366 -19.740   5.248
  249    HH   TYR  28           HH       TYR  28  26.988 -23.128   6.114
  250    H    LEU  29           HN       LEU  29  25.092 -19.491   0.940
  251    HA   LEU  29           HA       LEU  29  23.878 -21.773   2.274
  252    HB2  LEU  29           HB2      LEU  29  24.239 -19.317   3.182
  253    HB3  LEU  29           HB1      LEU  29  22.703 -19.023   2.367
  254    HG   LEU  29           HG       LEU  29  22.096 -21.321   3.650
  255   HD11  LEU  29          HD11      LEU  29  23.051 -21.258   5.909
  256   HD12  LEU  29          HD12      LEU  29  24.037 -19.863   5.466
  257   HD13  LEU  29          HD13      LEU  29  24.334 -21.430   4.712
  258   HD21  LEU  29          HD21      LEU  29  20.734 -19.347   3.813
  259   HD22  LEU  29          HD22      LEU  29  21.999 -18.476   4.681
  260   HD23  LEU  29          HD23      LEU  29  21.150 -19.811   5.463
  261    H    GLN  30           HN       GLN  30  23.013 -19.371  -0.194
  262    HA   GLN  30           HA       GLN  30  20.367 -20.412  -0.587
  263    HB2  GLN  30           HB2      GLN  30  20.894 -18.082  -1.092
  264    HB3  GLN  30           HB1      GLN  30  22.049 -18.591  -2.323
  265    HG2  GLN  30           HG2      GLN  30  20.420 -19.115  -3.827
  266    HG3  GLN  30           HG1      GLN  30  19.332 -19.735  -2.588
  267   HE21  GLN  30          HE21      GLN  30  20.690 -16.526  -2.136
  268   HE22  GLN  30          HE22      GLN  30  19.267 -15.672  -2.491
  269    H    LYS  31           HN       LYS  31  23.461 -21.405  -1.560
  270    HA   LYS  31           HA       LYS  31  22.314 -23.088  -3.711
  271    HB2  LYS  31           HB2      LYS  31  24.918 -21.641  -3.482
  272    HB3  LYS  31           HB1      LYS  31  24.888 -23.179  -4.345
  273    HG2  LYS  31           HG2      LYS  31  24.495 -21.286  -5.884
  274    HG3  LYS  31           HG1      LYS  31  23.085 -22.341  -5.797
  275    HD2  LYS  31           HD2      LYS  31  21.812 -20.781  -4.695
  276    HD3  LYS  31           HD1      LYS  31  23.198 -20.088  -3.851
  277    HE2  LYS  31           HE2      LYS  31  23.941 -19.007  -5.931
  278    HE3  LYS  31           HE1      LYS  31  22.578 -19.717  -6.797
  279    HZ1  LYS  31           HZ1      LYS  31  21.059 -18.492  -5.447
  280    HZ2  LYS  31           HZ2      LYS  31  22.206 -17.399  -6.063
  281    HZ3  LYS  31           HZ3      LYS  31  22.306 -17.921  -4.450
  282    H    LYS  32           HN       LYS  32  21.766 -24.384  -1.681
  283    HA   LYS  32           HA       LYS  32  24.075 -26.011  -0.811
  284    HB2  LYS  32           HB2      LYS  32  21.904 -24.838   0.614
  285    HB3  LYS  32           HB1      LYS  32  21.726 -26.592   0.699
  286    HG2  LYS  32           HG2      LYS  32  24.114 -26.762   1.408
  287    HG3  LYS  32           HG1      LYS  32  24.202 -25.001   1.428
  288    HD2  LYS  32           HD2      LYS  32  22.298 -26.682   3.086
  289    HD3  LYS  32           HD1      LYS  32  23.760 -25.900   3.690
  290    HE2  LYS  32           HE2      LYS  32  22.195 -24.285   4.237
  291    HE3  LYS  32           HE1      LYS  32  22.631 -23.743   2.617
  292    HZ1  LYS  32           HZ1      LYS  32  20.127 -24.286   3.431
  293    HZ2  LYS  32           HZ2      LYS  32  20.560 -25.747   2.680
  294    HZ3  LYS  32           HZ3      LYS  32  20.635 -24.288   1.813