*HEADER    TRANSCRIPTION                           08-MAR-16   5ION              
*TITLE     SOLUTION STRUCTURE OF MIZ-1 ZINC FINGER 13                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER AND BTB DOMAIN-CONTAINING PROTEIN 17;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 714-742;                                      
*COMPND   5 SYNONYM: MYC-INTERACTING ZINC FINGER PROTEIN 1,MIZ-1,ZINC FINGER     
*COMPND   6 PROTEIN 151,ZINC FINGER PROTEIN 60;                                  
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    C2H2 ZINC FINGER, MIZ-1, ZBTB17, TRANSCRIPTION FACTOR, TRANSCRIPTION  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.TREMBLAY,M.BEDARD,P.LAVIGNE                                         
*REVDAT   1   30-MAR-16 5ION    0                                                
# Restraints file 1: Dihedral.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -62.12 27.88 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -35.99 34.01 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -110.46 69.54 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 128.66 38.66 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -76.28 63.72 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 134.14 34.14 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -115.07 54.93 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 129.43 39.43 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -65.95 34.05 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -64.44 25.56 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -43.69 26.31 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -64.85 25.15 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 -37.05 32.95 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -64.39 25.61 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -40.16 29.84 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -64.80 25.20 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -44.54 15.46 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -64.48 25.52 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -38.06 31.94 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -64.73 25.27 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -41.32 28.68 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -64.98 15.02 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -44.96 15.04 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -55.94 24.06 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -44.67 25.33 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -64.60 25.40 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -41.75 28.25 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -67.54 22.46 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -36.45 33.55 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -67.75 42.25 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -26.75 33.25 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -66.63 33.37 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -27.41 42.59 2

# Restraints file 2: Ambig_NOE.tbl
assign ( resid 22 and name HN
	 )
       ( resid 19 and name HB1
	 or resid 24 and name HB1
	 ) 3.5 1.7 0.7 volume=816489.695 peak=1 ppm1=7.299 ppm2=1.630

assign ( resid 4 and name HD1
         or resid 4 and name HD2
	 or resid 19 and name HN
	 )
       ( resid 16 and name HA
	 ) 3.1 1.3 0.6 volume=1626283.750 peak=2 ppm1=6.791 ppm2=3.161

assign ( resid 19 and name HN
	 )
       ( resid 18 and name HA
	 or resid 20 and name HA
	 ) 3.7 1.9 0.7 volume=553981.355 peak=3 ppm1=6.789 ppm2=3.912

assign ( resid 21 and name HG1
	 or resid 21 and name HG2
	 )
       ( resid 22 and name HN
	 ) 3.9 2.1 0.8 volume=392276.013 peak=4 ppm1=1.879 ppm2=7.291

assign ( resid 26 and name HN
	 )
       ( resid 26 and name HB2
	 or resid 26 and name HB1
	 ) 3.2 1.4 0.6 volume=1326056.406 peak=5 ppm1=7.161 ppm2=3.129

assign ( resid 4 and name HB2
	 or resid 22 and name HB1
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 3.6 1.8 0.7 volume=636962.055 peak=6 ppm1=2.603 ppm2=6.641

assign ( resid 18 and name HB2
	 or resid 18 and name HB1
	 or resid 21 and name HA
	 )
       ( resid 22 and name HN
	 ) 3.4 1.6 0.7 volume=998089.074 peak=7 ppm1=3.792 ppm2=7.293

assign ( resid 6 and name HB2
	 or resid 9 and name HB2
	 )
       ( resid 10 and name HN
	 ) 4.0 2.2 0.8 volume=375023.812 peak=8 ppm1=3.211 ppm2=7.932

assign ( resid 26 and name HD2
	 )
       ( resid 26 and name HB2
	 or resid 26 and name HB1
	 ) 2.9 1.1 0.6 volume=2503676.406 peak=9 ppm1=6.638 ppm2=3.131

assign ( resid 24 and name HG2
	 or resid 24 and name HG1
	 )
       ( resid 24 and name HN
	 ) 3.8 2.0 0.8 volume=458489.194 peak=10 ppm1=1.497 ppm2=6.833

assign ( resid 16 and name HB#
	 )
       ( resid 4 and name HD1
         or resid 4 and name HD2
	 or resid 19 and name HN
	 ) 4.0 2.2 0.8 volume=372495.389 peak=11 ppm1=0.990 ppm2=6.795

assign ( resid 4 and name HD1
         or resid 4 and name HD2
	 or resid 19 and name HN
	 )
       ( resid 16 and name HB#
	 ) 3.5 1.7 0.7 volume=827962.324 peak=14 ppm1=6.792 ppm2=0.984

assign ( resid 10 and name HN
	 )
       ( resid 6 and name HB2
	 or resid 9 and name HB2
	 ) 3.4 1.6 0.7 volume=955208.445 peak=15 ppm1=7.925 ppm2=3.216

assign ( resid 16 and name HA
	 )
       ( resid 4 and name HD1
         or resid 4 and name HD2
	 or resid 19 and name HN
	 ) 3.6 1.8 0.7 volume=709542.350 peak=16 ppm1=3.144 ppm2=6.802

assign ( resid 18 and name HB2
	 or resid 18 and name HB1
	 )
       ( resid 13 and name HB1
	 ) 3.3 1.5 0.7 volume=1053870.219 peak=17 ppm1=3.787 ppm2=3.239

assign ( resid 22 and name HB1
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 or resid 26 and name HD2
	 ) 3.8 2.0 0.8 volume=64288.453 peak=18 ppm1=2.589 ppm2=6.629

assign ( resid 24 and name HG2
	 or resid 24 and name HG1
	 )
       ( resid 24 and name HD2
	 or resid 24 and name HD1
	 ) 3.9 2.1 0.8 volume=57818.648 peak=19 ppm1=1.502 ppm2=3.047

# Restraints file 3: Unambig_NOE.tbl

assign ( resid 15 and name HN
	 )
       ( resid 14 and name HN
	 ) 3.4 1.6 0.7 volume=895349.406 peak=12 ppm1=8.891 ppm2=8.030

assign ( resid 14 and name HN
	 )
       ( resid 15 and name HN
	 ) 3.3 1.5 0.7 volume=1150671.023 peak=13 ppm1=8.028 ppm2=8.892

assign ( resid 5 and name HB#
	 )
       ( resid 5 and name HA
	 ) 3.3 1.5 0.7 volume=170448.450 peak=1 ppm1=1.075 ppm2=4.991

assign ( resid 5 and name HB#
	 )
       ( resid 12 and name HA
	 ) 3.7 1.9 0.7 volume=86011.156 peak=2 ppm1=1.082 ppm2=4.739

assign ( resid 12 and name HD2
	 )
       ( resid 12 and name HA
	 ) 3.4 1.6 0.7 volume=129851.988 peak=3 ppm1=1.338 ppm2=4.745

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HA
	 ) 3.9 2.1 0.8 volume=61709.481 peak=4 ppm1=1.422 ppm2=4.742

assign ( resid 12 and name HD2
	 )
       ( resid 5 and name HA
	 ) 4.1 2.3 0.8 volume=43579.130 peak=5 ppm1=1.337 ppm2=4.992

assign ( resid 3 and name HG
	 )
       ( resid 3 and name HA
	 ) 3.4 1.6 0.7 volume=140822.538 peak=6 ppm1=1.603 ppm2=4.413

assign ( resid 19 and name HD1#
	 )
       ( resid 6 and name HA
	 ) 3.7 1.9 0.7 volume=81035.576 peak=9 ppm1=0.855 ppm2=4.348

assign ( resid 4 and name HB1
	 )
       ( resid 4 and name HA
	 ) 3.5 1.7 0.7 volume=105550.363 peak=24 ppm1=2.706 ppm2=4.324

assign ( resid 24 and name HB2
	 )
       ( resid 24 and name HD2
	 or resid 24 and name HD1
	 ) 3.6 1.8 0.7 volume=95109.658 peak=34 ppm1=1.696 ppm2=3.047

assign ( resid 19 and name HB1
	 )
       ( resid 19 and name HA
	 ) 3.2 1.4 0.6 volume=187326.324 peak=35 ppm1=1.627 ppm2=3.066

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HA
	 ) 3.6 1.8 0.7 volume=92370.922 peak=37 ppm1=1.474 ppm2=3.055

assign ( resid 24 and name HB1
	 )
       ( resid 24 and name HD2
	 or resid 24 and name HD1
	 ) 3.4 1.6 0.7 volume=132510.382 peak=38 ppm1=1.641 ppm2=3.049

assign ( resid 19 and name HD2#
	 )
       ( resid 19 and name HG
	 ) 3.1 1.3 0.6 volume=251697.818 peak=59 ppm1=0.732 ppm2=1.103

assign ( resid 3 and name HG
	 )
       ( resid 3 and name HD1#
	 ) 2.8 1.0 0.6 volume=434825.535 peak=61 ppm1=1.605 ppm2=0.779

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 13 and name HA
	 ) 3.4 1.6 0.7 volume=145915.880 peak=85 ppm1=7.006 ppm2=4.484

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 12 and name HA
	 ) 3.7 1.9 0.7 volume=81769.841 peak=86 ppm1=7.010 ppm2=4.740

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 5 and name HA
	 ) 3.9 2.1 0.8 volume=57685.723 peak=87 ppm1=7.007 ppm2=4.991

assign ( resid 26 and name HN
	 )
       ( resid 25 and name HN
	 ) 3.3 1.5 0.7 volume=1173613.703 peak=107 ppm1=7.159 ppm2=7.684

assign ( resid 19 and name HD2#
	 )
       ( resid 19 and name HA
	 ) 3.1 1.3 0.6 volume=1754727.180 peak=108 ppm1=0.733 ppm2=3.066

assign ( resid 25 and name HN
	 )
       ( resid 26 and name HN
	 ) 3.2 1.4 0.6 volume=1323785.852 peak=109 ppm1=7.686 ppm2=7.163

assign ( resid 24 and name HN
	 )
       ( resid 23 and name HN
	 ) 3.2 1.4 0.6 volume=1257133.301 peak=110 ppm1=6.829 ppm2=8.242

assign ( resid 25 and name HG2#
	 )
       ( resid 25 and name HN
	 ) 3.7 1.9 0.7 volume=584895.707 peak=111 ppm1=0.763 ppm2=7.688

assign ( resid 24 and name HB2
	 )
       ( resid 24 and name HN
	 ) 3.4 1.6 0.7 volume=892079.730 peak=112 ppm1=1.696 ppm2=6.832

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB2
	 ) 3.3 1.5 0.7 volume=1101437.938 peak=113 ppm1=4.184 ppm2=2.057

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HB1
	 ) 3.2 1.4 0.6 volume=1328246.909 peak=114 ppm1=3.613 ppm2=3.388

assign ( resid 19 and name HG
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.7 1.9 0.7 volume=550131.645 peak=115 ppm1=1.102 ppm2=7.006

assign ( resid 17 and name HA
	 )
       ( resid 17 and name HB1
	 ) 2.9 1.1 0.6 volume=2280481.938 peak=116 ppm1=4.241 ppm2=2.574

assign ( resid 23 and name HN
	 )
       ( resid 22 and name HN
	 ) 3.3 1.5 0.7 volume=1239389.004 peak=117 ppm1=8.245 ppm2=7.291

assign ( resid 16 and name HN
	 )
       ( resid 17 and name HB1
	 ) 3.6 1.8 0.7 volume=716936.953 peak=118 ppm1=8.026 ppm2=2.555

assign ( resid 4 and name HA
	 )
       ( resid 5 and name HN
	 ) 3.1 1.3 0.6 volume=1601032.984 peak=119 ppm1=4.324 ppm2=8.473

assign ( resid 15 and name HB2
	 )
       ( resid 16 and name HN
	 ) 3.9 2.1 0.8 volume=438613.008 peak=120 ppm1=2.883 ppm2=8.027

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HB2
	 ) 2.8 1.0 0.6 volume=2797498.594 peak=121 ppm1=3.927 ppm2=1.703

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB1
	 ) 3.7 1.9 0.7 volume=572356.859 peak=122 ppm1=4.115 ppm2=2.011

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB1
	 ) 3.2 1.4 0.6 volume=1408708.852 peak=123 ppm1=4.930 ppm2=2.702

assign ( resid 21 and name HN
	 )
       ( resid 22 and name HN
	 ) 3.1 1.3 0.6 volume=1533723.383 peak=124 ppm1=7.632 ppm2=7.289

assign ( resid 13 and name HB1
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.1 1.3 0.6 volume=1518942.305 peak=125 ppm1=3.249 ppm2=7.004

assign ( resid 20 and name HA
	 )
       ( resid 23 and name HG2#
	 ) 3.0 1.2 0.6 volume=2100788.715 peak=126 ppm1=3.914 ppm2=1.061

assign ( resid 20 and name HB#
	 )
       ( resid 17 and name HA
	 ) 3.1 1.3 0.6 volume=1816606.023 peak=127 ppm1=1.293 ppm2=4.237

assign ( resid 23 and name HG1#
	 )
       ( resid 20 and name HA
	 ) 3.8 2.0 0.8 volume=503604.379 peak=128 ppm1=1.169 ppm2=3.908

assign ( resid 17 and name HA
	 )
       ( resid 20 and name HB#
	 ) 2.9 1.1 0.6 volume=2249308.750 peak=129 ppm1=4.242 ppm2=1.297

assign ( resid 23 and name HG2#
	 )
       ( resid 20 and name HA
	 ) 3.0 1.2 0.6 volume=2002505.938 peak=130 ppm1=1.059 ppm2=3.911

assign ( resid 23 and name HN
	 )
       ( resid 23 and name HG2#
	 ) 2.9 1.1 0.6 volume=2395408.270 peak=131 ppm1=8.246 ppm2=1.061

assign ( resid 20 and name HA
	 )
       ( resid 23 and name HG1#
	 ) 3.5 1.7 0.7 volume=813410.031 peak=132 ppm1=3.912 ppm2=1.170

assign ( resid 11 and name HN
	 )
       ( resid 10 and name HA1
	 ) 3.9 2.1 0.8 volume=416859.352 peak=133 ppm1=8.198 ppm2=3.771

assign ( resid 26 and name HD2
	 )
       ( resid 23 and name HA
	 ) 2.8 1.0 0.6 volume=3241817.594 peak=135 ppm1=6.637 ppm2=3.463

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HB#
	 ) 3.0 1.2 0.6 volume=1945459.320 peak=136 ppm1=4.153 ppm2=1.269

assign ( resid 18 and name HA
	 )
       ( resid 21 and name HG2
	 ) 3.2 1.4 0.6 volume=1432949.352 peak=137 ppm1=3.916 ppm2=1.856

assign ( resid 21 and name HG1
	 )
       ( resid 18 and name HA
	 ) 3.7 1.9 0.7 volume=552902.121 peak=138 ppm1=1.898 ppm2=3.916

assign ( resid 22 and name HN
	 )
       ( resid 21 and name HA
	 ) 3.4 1.6 0.7 volume=990216.965 peak=139 ppm1=7.294 ppm2=3.787

assign ( resid 6 and name HB1
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 3.4 1.6 0.7 volume=941571.184 peak=140 ppm1=2.640 ppm2=6.637

assign ( resid 22 and name HD2
	 )
       ( resid 6 and name HB1
	 ) 2.6 0.8 0.5 volume=5055429.906 peak=141 ppm1=6.793 ppm2=2.627

assign ( resid 22 and name HD2
	 )
       ( resid 22 and name HB2
	 ) 3.3 1.5 0.7 volume=1219054.039 peak=142 ppm1=6.793 ppm2=2.919

assign ( resid 24 and name HN
	 )
       ( resid 24 and name HD2
	 or resid 24 and name HD1
	 ) 3.8 2.0 0.8 volume=465350.844 peak=143 ppm1=6.828 ppm2=3.050

assign ( resid 19 and name HN
	 )
       ( resid 19 and name HA
	 ) 3.2 1.4 0.6 volume=1321440.141 peak=144 ppm1=6.791 ppm2=3.069

assign ( resid 22 and name HD2
	 )
       ( resid 25 and name HG12
	 ) 3.9 2.1 0.8 volume=414496.039 peak=145 ppm1=6.795 ppm2=0.630

assign ( resid 18 and name HA
	 )
       ( resid 21 and name HG1
	 ) 2.8 1.0 0.6 volume=2883797.969 peak=146 ppm1=3.916 ppm2=1.896

assign ( resid 22 and name HN
	 )
       ( resid 22 and name HA
	 ) 3.4 1.6 0.7 volume=905066.863 peak=147 ppm1=7.290 ppm2=4.032

assign ( resid 12 and name HN
	 )
       ( resid 11 and name HB1
	 ) 3.4 1.6 0.7 volume=961085.230 peak=148 ppm1=7.591 ppm2=1.897

assign ( resid 13 and name HB2
	 )
       ( resid 13 and name HN
	 ) 3.7 1.9 0.7 volume=591403.055 peak=149 ppm1=2.534 ppm2=8.531

assign ( resid 24 and name HN
	 )
       ( resid 24 and name HA
	 ) 3.2 1.4 0.6 volume=1420613.709 peak=150 ppm1=6.829 ppm2=3.929

assign ( resid 4 and name HB1
	 )
       ( resid 4 and name HD1
         or resid 4 and name HD2
	 ) 3.2 1.4 0.6 volume=1498041.051 peak=151 ppm1=2.696 ppm2=6.794

assign ( resid 26 and name HN
	 )
       ( resid 23 and name HA
	 ) 4.0 2.2 0.8 volume=355002.986 peak=152 ppm1=7.164 ppm2=3.461

assign ( resid 25 and name HD1#
	 )
       ( resid 25 and name HN
	 ) 3.9 2.1 0.8 volume=448578.148 peak=153 ppm1=0.533 ppm2=7.685

assign ( resid 16 and name HA
	 )
       ( resid 19 and name HB1
	 ) 3.3 1.5 0.7 volume=1110290.375 peak=154 ppm1=3.145 ppm2=1.628

assign ( resid 16 and name HN
	 )
       ( resid 15 and name HB2
	 ) 3.6 1.8 0.7 volume=702423.273 peak=155 ppm1=8.026 ppm2=2.880

assign ( resid 18 and name HN
	 )
       ( resid 18 and name HB2
	 or resid 18 and name HB1
	 ) 3.2 1.4 0.6 volume=1477374.555 peak=156 ppm1=8.601 ppm2=3.790

assign ( resid 23 and name HN
	 )
       ( resid 24 and name HN
	 ) 3.1 1.3 0.6 volume=1555042.059 peak=157 ppm1=8.246 ppm2=6.823

assign ( resid 22 and name HN
	 )
       ( resid 22 and name HB1
	 ) 3.0 1.2 0.6 volume=2072538.305 peak=158 ppm1=7.290 ppm2=2.595

assign ( resid 5 and name HB#
	 )
       ( resid 5 and name HN
	 ) 3.6 1.8 0.7 volume=638479.004 peak=159 ppm1=1.067 ppm2=8.476

assign ( resid 22 and name HD2
	 )
       ( resid 23 and name HG2#
	 ) 2.9 1.1 0.6 volume=2524943.438 peak=160 ppm1=6.793 ppm2=1.079

assign ( resid 6 and name HN
	 )
       ( resid 5 and name HA
	 ) 3.1 1.3 0.6 volume=1540003.008 peak=161 ppm1=8.817 ppm2=4.985

assign ( resid 20 and name HA
	 )
       ( resid 20 and name HN
	 ) 3.1 1.3 0.6 volume=1729341.453 peak=163 ppm1=3.911 ppm2=7.736

assign ( resid 11 and name HN
	 )
       ( resid 10 and name HN
	 ) 3.6 1.8 0.7 volume=702430.465 peak=164 ppm1=8.198 ppm2=7.922

assign ( resid 11 and name HB1
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 4.1 2.3 0.8 volume=327461.022 peak=165 ppm1=1.895 ppm2=6.643

assign ( resid 18 and name HB2
	 or resid 18 and name HB1
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.4 1.6 0.7 volume=1008199.852 peak=166 ppm1=3.786 ppm2=7.005

assign ( resid 26 and name HE1
	 )
       ( resid 25 and name HG11
	 ) 4.0 2.2 0.8 volume=379994.707 peak=167 ppm1=7.868 ppm2=0.432

assign ( resid 24 and name HN
	 )
       ( resid 23 and name HG1#
	 ) 3.8 2.0 0.8 volume=465252.662 peak=168 ppm1=6.827 ppm2=1.165

assign ( resid 6 and name HA
	 )
       ( resid 22 and name HD2
	 ) 3.5 1.7 0.7 volume=785612.078 peak=169 ppm1=4.320 ppm2=6.799

assign ( resid 19 and name HG
	 )
       ( resid 20 and name HN
	 ) 3.8 2.0 0.8 volume=510829.727 peak=170 ppm1=1.107 ppm2=7.736

assign ( resid 6 and name HB2
	 )
       ( resid 19 and name HD2#
	 ) 4.0 2.2 0.8 volume=382022.938 peak=171 ppm1=3.194 ppm2=0.739

assign ( resid 22 and name HB2
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 4.0 2.2 0.8 volume=346741.147 peak=172 ppm1=2.893 ppm2=6.643

assign ( resid 15 and name HN
	 )
       ( resid 15 and name HA
	 ) 3.9 2.1 0.8 volume=409859.869 peak=173 ppm1=8.896 ppm2=4.261

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HG11
	 ) 2.9 1.1 0.6 volume=2420684.734 peak=174 ppm1=3.793 ppm2=0.443

assign ( resid 26 and name HD2
	 )
       ( resid 23 and name HG2#
	 ) 3.4 1.6 0.7 volume=918107.625 peak=175 ppm1=6.637 ppm2=1.062

assign ( resid 6 and name HN
	 )
       ( resid 6 and name HA
	 ) 3.9 2.1 0.8 volume=390959.889 peak=176 ppm1=8.817 ppm2=4.334

assign ( resid 25 and name HG11
	 )
       ( resid 25 and name HN
	 ) 3.2 1.4 0.6 volume=1386816.414 peak=177 ppm1=0.440 ppm2=7.686

assign ( resid 11 and name HN
	 )
       ( resid 6 and name HB2
	 ) 3.4 1.6 0.7 volume=944144.742 peak=178 ppm1=8.194 ppm2=3.196

assign ( resid 22 and name HB1
	 )
       ( resid 13 and name HZ
	 ) 4.0 2.2 0.8 volume=367496.876 peak=179 ppm1=2.596 ppm2=6.226

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HN
	 ) 3.6 1.8 0.7 volume=699992.938 peak=180 ppm1=2.603 ppm2=8.597

assign ( resid 18 and name HB2
	 or resid 18 and name HB1
	 )
       ( resid 18 and name HN
	 ) 3.4 1.6 0.7 volume=930302.883 peak=181 ppm1=3.787 ppm2=8.601

assign ( resid 15 and name HN
	 )
       ( resid 15 and name HB1
	 ) 3.9 2.1 0.8 volume=443152.112 peak=182 ppm1=8.897 ppm2=3.008

assign ( resid 20 and name HN
	 )
       ( resid 19 and name HA
	 ) 3.9 2.1 0.8 volume=439705.400 peak=183 ppm1=7.734 ppm2=3.066

assign ( resid 26 and name HB1
	 )
       ( resid 26 and name HD2
	 ) 3.5 1.7 0.7 volume=765786.949 peak=184 ppm1=3.113 ppm2=6.638

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 18 and name HB2
	 or resid 18 and name HB1
	 ) 3.9 2.1 0.8 volume=398041.906 peak=185 ppm1=6.636 ppm2=3.779

assign ( resid 22 and name HD2
	 )
       ( resid 23 and name HA
	 ) 3.2 1.4 0.6 volume=1342540.957 peak=186 ppm1=6.793 ppm2=3.461

assign ( resid 23 and name HN
	 )
       ( resid 22 and name HB1
	 ) 3.7 1.9 0.7 volume=612144.148 peak=187 ppm1=8.245 ppm2=2.596

assign ( resid 21 and name HG2
	 )
       ( resid 18 and name HA
	 ) 3.8 2.0 0.8 volume=496149.490 peak=188 ppm1=1.855 ppm2=3.916

assign ( resid 11 and name HB1
	 )
       ( resid 13 and name HZ
	 ) 4.1 2.3 0.8 volume=307073.457 peak=189 ppm1=1.895 ppm2=6.222

assign ( resid 13 and name HB2
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.2 1.4 0.6 volume=1345311.305 peak=190 ppm1=2.531 ppm2=7.003

assign ( resid 10 and name HN
	 )
       ( resid 11 and name HN
	 ) 3.5 1.7 0.7 volume=749309.309 peak=191 ppm1=7.924 ppm2=8.202

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HG2#
	 ) 3.6 1.8 0.7 volume=731302.266 peak=192 ppm1=3.793 ppm2=0.765

assign ( resid 25 and name HG12
	 )
       ( resid 25 and name HN
	 ) 3.8 2.0 0.8 volume=466497.082 peak=193 ppm1=0.615 ppm2=7.684

assign ( resid 22 and name HN
	 )
       ( resid 19 and name HA
	 ) 3.6 1.8 0.7 volume=706274.824 peak=194 ppm1=7.290 ppm2=3.064

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HG1#
	 ) 3.0 1.2 0.6 volume=2044875.047 peak=195 ppm1=3.465 ppm2=1.168

assign ( resid 11 and name HN
	 )
       ( resid 11 and name HB1
	 ) 3.6 1.8 0.7 volume=704936.105 peak=196 ppm1=8.194 ppm2=1.904

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 2.5 0.7 0.5 volume=5353141.156 peak=197 ppm1=7.003 ppm2=6.639

assign ( resid 22 and name HN
	 )
       ( resid 21 and name HN
	 ) 3.2 1.4 0.6 volume=1443582.340 peak=198 ppm1=7.289 ppm2=7.631

assign ( resid 4 and name HB2
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 4.0 2.2 0.8 volume=382392.135 peak=199 ppm1=2.590 ppm2=7.003

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HG
	 ) 3.2 1.4 0.6 volume=1289261.016 peak=200 ppm1=3.064 ppm2=1.103

assign ( resid 23 and name HA
	 )
       ( resid 26 and name HD2
	 ) 3.0 1.2 0.6 volume=1918783.453 peak=201 ppm1=3.464 ppm2=6.639

assign ( resid 24 and name HN
	 )
       ( resid 23 and name HA
	 ) 3.9 2.1 0.8 volume=399984.235 peak=202 ppm1=6.829 ppm2=3.470

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HB1
	 ) 2.5 0.7 0.5 volume=5341854.344 peak=203 ppm1=3.235 ppm2=2.700

assign ( resid 19 and name HN
	 )
       ( resid 18 and name HN
	 ) 3.3 1.5 0.7 volume=1169563.312 peak=204 ppm1=6.790 ppm2=8.591

assign ( resid 21 and name HN
	 )
       ( resid 20 and name HB#
	 ) 3.1 1.3 0.6 volume=1797403.477 peak=205 ppm1=7.632 ppm2=1.298

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB#
	 ) 3.3 1.5 0.7 volume=1145236.109 peak=206 ppm1=4.988 ppm2=1.087

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HB2
	 ) 3.2 1.4 0.6 volume=1483437.781 peak=207 ppm1=8.601 ppm2=2.584

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB1
	 ) 3.2 1.4 0.6 volume=1387244.281 peak=208 ppm1=4.262 ppm2=2.997

assign ( resid 18 and name HN
	 )
       ( resid 18 and name HA
	 ) 3.3 1.5 0.7 volume=1141813.781 peak=209 ppm1=8.602 ppm2=3.913

assign ( resid 22 and name HD2
	 )
       ( resid 23 and name HN
	 ) 3.6 1.8 0.7 volume=697138.953 peak=210 ppm1=6.794 ppm2=8.245

assign ( resid 12 and name HE1
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HD2
	 ) 3.2 1.4 0.6 volume=1305744.188 peak=211 ppm1=2.772 ppm2=1.335

assign ( resid 25 and name HD1#
	 )
       ( resid 26 and name HE1
	 ) 3.4 1.6 0.7 volume=874104.871 peak=212 ppm1=0.533 ppm2=7.889

assign ( resid 24 and name HN
	 )
       ( resid 23 and name HG2#
	 ) 3.4 1.6 0.7 volume=937142.105 peak=213 ppm1=6.826 ppm2=1.069

assign ( resid 20 and name HN
	 )
       ( resid 19 and name HB2
	 ) 3.8 2.0 0.8 volume=480836.371 peak=214 ppm1=7.732 ppm2=1.436

assign ( resid 22 and name HA
	 )
       ( resid 22 and name HB1
	 ) 3.0 1.2 0.6 volume=1905026.516 peak=215 ppm1=4.030 ppm2=2.599

assign ( resid 26 and name HE1
	 )
       ( resid 9 and name HB2
	 ) 3.3 1.5 0.7 volume=1183701.906 peak=216 ppm1=7.867 ppm2=3.233

assign ( resid 22 and name HE1
	 )
       ( resid 11 and name HB2
	 ) 3.7 1.9 0.7 volume=555275.791 peak=217 ppm1=7.898 ppm2=2.063

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 19 and name HA
	 ) 3.5 1.7 0.7 volume=768000.695 peak=218 ppm1=7.003 ppm2=3.067

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HD2#
	 ) 3.2 1.4 0.6 volume=1442338.613 peak=219 ppm1=3.068 ppm2=0.734

assign ( resid 22 and name HE1
	 )
       ( resid 25 and name HG11
	 ) 3.8 2.0 0.8 volume=522212.990 peak=220 ppm1=7.898 ppm2=0.433

assign ( resid 4 and name HE1
         or resid 4 and name HE2
	 )
       ( resid 4 and name HD1
         or resid 4 and name HD2
	 ) 2.5 0.7 0.5 volume=6324695.438 peak=221 ppm1=6.618 ppm2=6.803

assign ( resid 19 and name HN
	 )
       ( resid 18 and name HB2
	 or resid 18 and name HB1
	 ) 3.4 1.6 0.7 volume=892831.883 peak=222 ppm1=6.789 ppm2=3.786

assign ( resid 25 and name HN
	 )
       ( resid 24 and name HA
	 ) 3.8 2.0 0.8 volume=517168.967 peak=223 ppm1=7.685 ppm2=3.928

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HB1
	 ) 3.0 1.2 0.6 volume=2126865.219 peak=224 ppm1=3.927 ppm2=1.632

assign ( resid 20 and name HA
	 )
       ( resid 20 and name HB#
	 ) 2.7 0.9 0.5 volume=3902088.484 peak=225 ppm1=3.911 ppm2=1.298

assign ( resid 24 and name HN
	 )
       ( resid 21 and name HA
	 ) 3.8 2.0 0.8 volume=474226.833 peak=226 ppm1=6.827 ppm2=3.794

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB#
	 ) 2.8 1.0 0.6 volume=2815632.234 peak=227 ppm1=3.145 ppm2=0.990

assign ( resid 23 and name HB
	 )
       ( resid 24 and name HN
	 ) 3.9 2.1 0.8 volume=409070.795 peak=228 ppm1=2.225 ppm2=6.810

assign ( resid 13 and name HZ
	 )
       ( resid 22 and name HB1
	 ) 3.8 2.0 0.8 volume=525909.088 peak=229 ppm1=6.223 ppm2=2.598

assign ( resid 12 and name HE1
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HB2
	 ) 3.4 1.6 0.7 volume=875782.191 peak=230 ppm1=2.768 ppm2=1.428

assign ( resid 12 and name HE1
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HG2
	 or resid 12 and name HG1
	 ) 3.5 1.7 0.7 volume=736488.281 peak=231 ppm1=2.772 ppm2=1.100

assign ( resid 23 and name HB
	 )
       ( resid 23 and name HG2#
	 ) 3.0 1.2 0.6 volume=2016741.926 peak=232 ppm1=2.225 ppm2=1.062

assign ( resid 19 and name HB1
	 )
       ( resid 19 and name HG
	 ) 2.7 0.9 0.5 volume=4185471.031 peak=233 ppm1=1.626 ppm2=1.104

assign ( resid 23 and name HN
	 )
       ( resid 23 and name HG1#
	 ) 3.1 1.3 0.6 volume=1763139.531 peak=234 ppm1=8.245 ppm2=1.168

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HG2#
	 ) 3.2 1.4 0.6 volume=1332933.912 peak=235 ppm1=3.465 ppm2=1.060

assign ( resid 24 and name HN
	 )
       ( resid 23 and name HB
	 ) 4.0 2.2 0.8 volume=371900.176 peak=236 ppm1=6.829 ppm2=2.222

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 13 and name HB1
	 ) 3.0 1.2 0.6 volume=2073841.977 peak=237 ppm1=7.003 ppm2=3.250

assign ( resid 23 and name HN
	 )
       ( resid 20 and name HA
	 ) 3.8 2.0 0.8 volume=523699.539 peak=238 ppm1=8.246 ppm2=3.912

assign ( resid 22 and name HN
	 )
       ( resid 22 and name HB2
	 ) 3.0 1.2 0.6 volume=2178498.484 peak=239 ppm1=7.290 ppm2=2.913

assign ( resid 20 and name HN
	 )
       ( resid 20 and name HB#
	 ) 2.7 0.9 0.5 volume=3924952.031 peak=240 ppm1=7.733 ppm2=1.297

assign ( resid 17 and name HB1
	 )
       ( resid 17 and name HA
	 ) 3.4 1.6 0.7 volume=1029275.969 peak=241 ppm1=2.575 ppm2=4.238

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB2
	 ) 3.6 1.8 0.7 volume=679468.383 peak=242 ppm1=4.261 ppm2=2.879

assign ( resid 11 and name HA
	 )
       ( resid 12 and name HN
	 ) 2.7 0.9 0.5 volume=3953218.891 peak=243 ppm1=4.184 ppm2=7.593

assign ( resid 12 and name HD2
	 )
       ( resid 12 and name HE1
	 or resid 12 and name HE2
	 ) 3.5 1.7 0.7 volume=849153.488 peak=244 ppm1=1.330 ppm2=2.770

assign ( resid 2 and name HB
	 )
       ( resid 2 and name HG2#
	 ) 3.0 1.2 0.6 volume=1842685.484 peak=245 ppm1=1.502 ppm2=0.391

assign ( resid 20 and name HN
	 )
       ( resid 19 and name HB1
	 ) 3.2 1.4 0.6 volume=1402448.344 peak=246 ppm1=7.732 ppm2=1.624

assign ( resid 21 and name HN
	 )
       ( resid 21 and name HB2
	 or resid 21 and name HB1
	 ) 3.3 1.5 0.7 volume=1111439.359 peak=247 ppm1=7.632 ppm2=2.249

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 19 and name HG
	 ) 3.5 1.7 0.7 volume=797576.418 peak=248 ppm1=7.003 ppm2=1.104

assign ( resid 4 and name HB2
	 )
       ( resid 19 and name HD2#
	 ) 3.9 2.1 0.8 volume=434779.926 peak=249 ppm1=2.596 ppm2=0.732

assign ( resid 15 and name HB2
	 )
       ( resid 15 and name HA
	 ) 3.7 1.9 0.7 volume=578504.926 peak=250 ppm1=2.881 ppm2=4.260

assign ( resid 4 and name HB1
	 )
       ( resid 19 and name HD1#
	 ) 3.2 1.4 0.6 volume=1423779.965 peak=251 ppm1=2.703 ppm2=0.859

assign ( resid 4 and name HD1
         or resid 4 and name HD2
	 )
       ( resid 4 and name HE1
         or resid 4 and name HE2
	 ) 2.4 0.6 0.5 volume=8055860.750 peak=252 ppm1=6.791 ppm2=6.616

assign ( resid 21 and name HA
	 )
       ( resid 21 and name HB2
	 or resid 21 and name HB1
	 ) 3.3 1.5 0.7 volume=1145578.492 peak=253 ppm1=3.789 ppm2=2.246

assign ( resid 19 and name HD2#
	 )
       ( resid 6 and name HB1
	 ) 3.3 1.5 0.7 volume=1070385.188 peak=254 ppm1=0.732 ppm2=2.640

assign ( resid 22 and name HB2
	 )
       ( resid 19 and name HD2#
	 ) 3.9 2.1 0.8 volume=416368.421 peak=255 ppm1=2.917 ppm2=0.732

assign ( resid 19 and name HD1#
	 )
       ( resid 4 and name HB1
	 ) 3.0 1.2 0.6 volume=1915158.625 peak=256 ppm1=0.858 ppm2=2.702

assign ( resid 4 and name HB2
	 )
       ( resid 19 and name HD1#
	 ) 3.7 1.9 0.7 volume=613005.893 peak=257 ppm1=2.600 ppm2=0.860

assign ( resid 25 and name HN
	 )
       ( resid 25 and name HG12
	 ) 3.5 1.7 0.7 volume=781611.883 peak=258 ppm1=7.684 ppm2=0.607

assign ( resid 19 and name HD2#
	 )
       ( resid 22 and name HB2
	 ) 3.6 1.8 0.7 volume=649953.152 peak=259 ppm1=0.731 ppm2=2.927

assign ( resid 11 and name HN
	 )
       ( resid 6 and name HB1
	 ) 3.9 2.1 0.8 volume=431688.316 peak=260 ppm1=8.196 ppm2=2.642

assign ( resid 6 and name HB1
	 )
       ( resid 19 and name HD2#
	 ) 3.4 1.6 0.7 volume=961896.803 peak=261 ppm1=2.642 ppm2=0.731

assign ( resid 19 and name HD1#
	 )
       ( resid 4 and name HB2
	 ) 3.4 1.6 0.7 volume=904276.398 peak=262 ppm1=0.857 ppm2=2.601

assign ( resid 22 and name HD2
	 )
       ( resid 23 and name HG1#
	 ) 2.9 1.1 0.6 volume=2433251.656 peak=263 ppm1=6.793 ppm2=1.161

assign ( resid 21 and name HE22
	 )
       ( resid 21 and name HE21
	 ) 3.2 1.4 0.6 volume=1481269.543 peak=264 ppm1=7.606 ppm2=6.783

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 2.6 0.8 0.5 volume=4948670.812 peak=265 ppm1=6.638 ppm2=7.001

assign ( resid 22 and name HB1
	 )
       ( resid 22 and name HB2
	 ) 2.6 0.8 0.5 volume=4583685.766 peak=267 ppm1=2.599 ppm2=2.915

assign ( resid 7 and name HN
	 )
       ( resid 7 and name HB1
	 or resid 7 and name HB2
	 ) 3.8 2.0 0.8 volume=521470.012 peak=268 ppm1=9.027 ppm2=2.603

assign ( resid 23 and name HG1#
	 )
       ( resid 23 and name HB
	 ) 2.8 1.0 0.6 volume=2987013.641 peak=269 ppm1=1.166 ppm2=2.223

assign ( resid 16 and name HB#
	 )
       ( resid 16 and name HA
	 ) 2.9 1.1 0.6 volume=2605523.523 peak=270 ppm1=0.992 ppm2=3.150

assign ( resid 11 and name HB2
	 )
       ( resid 12 and name HN
	 ) 4.1 2.3 0.8 volume=320593.410 peak=271 ppm1=2.052 ppm2=7.586

assign ( resid 25 and name HB
	 )
       ( resid 25 and name HG11
	 ) 3.0 1.2 0.6 volume=2165562.047 peak=272 ppm1=1.561 ppm2=0.443

assign ( resid 19 and name HB1
	 )
       ( resid 16 and name HA
	 ) 3.5 1.7 0.7 volume=819175.469 peak=273 ppm1=1.624 ppm2=3.157

assign ( resid 12 and name HN
	 )
       ( resid 11 and name HA
	 ) 2.8 1.0 0.6 volume=2832468.914 peak=274 ppm1=7.594 ppm2=4.182

assign ( resid 19 and name HG
	 )
       ( resid 19 and name HA
	 ) 3.3 1.5 0.7 volume=1066558.383 peak=275 ppm1=1.102 ppm2=3.067

assign ( resid 6 and name HN
	 )
       ( resid 6 and name HB1
	 ) 3.3 1.5 0.7 volume=1198786.883 peak=276 ppm1=8.816 ppm2=2.642

assign ( resid 10 and name HA1
	 )
       ( resid 9 and name HN
	 ) 3.8 2.0 0.8 volume=479609.051 peak=277 ppm1=3.789 ppm2=8.022

assign ( resid 11 and name HN
	 )
       ( resid 11 and name HB2
	 ) 3.1 1.3 0.6 volume=1639882.969 peak=278 ppm1=8.194 ppm2=2.060

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HD1
         or resid 4 and name HD2
	 ) 3.8 2.0 0.8 volume=477445.092 peak=279 ppm1=8.575 ppm2=6.797

assign ( resid 10 and name HA1
	 )
       ( resid 10 and name HN
	 ) 3.6 1.8 0.7 volume=690691.613 peak=280 ppm1=3.775 ppm2=7.926

assign ( resid 11 and name HB2
	 )
       ( resid 13 and name HZ
	 ) 4.4 2.6 0.9 volume=202941.725 peak=281 ppm1=2.056 ppm2=6.220

assign ( resid 23 and name HG2#
	 )
       ( resid 22 and name HD2
	 ) 3.2 1.4 0.6 volume=1469426.289 peak=282 ppm1=1.059 ppm2=6.807

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HB
	 ) 2.8 1.0 0.6 volume=3132171.828 peak=283 ppm1=3.793 ppm2=1.562

assign ( resid 23 and name HG1#
	 )
       ( resid 26 and name HD2
	 ) 3.9 2.1 0.8 volume=419577.452 peak=284 ppm1=1.167 ppm2=6.640

assign ( resid 22 and name HA
	 )
       ( resid 22 and name HB2
	 ) 3.2 1.4 0.6 volume=1279692.617 peak=285 ppm1=4.032 ppm2=2.924

assign ( resid 23 and name HA
	 )
       ( resid 22 and name HD2
	 ) 3.3 1.5 0.7 volume=1193317.336 peak=286 ppm1=3.465 ppm2=6.801

assign ( resid 6 and name HB1
	 )
       ( resid 22 and name HD2
	 ) 3.1 1.3 0.6 volume=1793585.098 peak=287 ppm1=2.642 ppm2=6.794

assign ( resid 16 and name HB#
	 )
       ( resid 4 and name HE1
         or resid 4 and name HE2
	 ) 3.7 1.9 0.7 volume=597697.426 peak=288 ppm1=0.991 ppm2=6.613

assign ( resid 22 and name HB1
	 )
       ( resid 22 and name HN
	 ) 3.2 1.4 0.6 volume=1303467.133 peak=290 ppm1=2.595 ppm2=7.292

assign ( resid 17 and name HB2
	 )
       ( resid 17 and name HA
	 ) 3.4 1.6 0.7 volume=967682.766 peak=291 ppm1=2.628 ppm2=4.242

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HD1
         or resid 4 and name HD2
	 ) 3.1 1.3 0.6 volume=1553500.688 peak=292 ppm1=2.600 ppm2=6.795

assign ( resid 12 and name HN
	 )
       ( resid 12 and name HD2
	 ) 3.0 1.2 0.6 volume=2181415.672 peak=293 ppm1=7.595 ppm2=1.337

assign ( resid 11 and name HB2
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 4.0 2.2 0.8 volume=348157.254 peak=294 ppm1=2.051 ppm2=6.644

assign ( resid 23 and name HG1#
	 )
       ( resid 22 and name HD2
	 ) 3.3 1.5 0.7 volume=1127392.344 peak=295 ppm1=1.166 ppm2=6.798

assign ( resid 4 and name HE1
         or resid 4 and name HE2
	 )
       ( resid 16 and name HB#
	 ) 3.3 1.5 0.7 volume=1204796.855 peak=296 ppm1=6.614 ppm2=0.992

assign ( resid 16 and name HB#
	 )
       ( resid 16 and name HN
	 ) 3.2 1.4 0.6 volume=1274083.090 peak=297 ppm1=0.990 ppm2=8.024

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HG2
	 or resid 24 and name HG1
	 ) 3.2 1.4 0.6 volume=1466844.852 peak=298 ppm1=3.926 ppm2=1.494

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 11 and name HB1
	 ) 3.3 1.5 0.7 volume=1092408.680 peak=299 ppm1=6.637 ppm2=1.902

assign ( resid 27 and name HB
	 )
       ( resid 27 and name HG2#
	 ) 2.9 1.1 0.6 volume=2430003.891 peak=300 ppm1=4.116 ppm2=1.075

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HN
	 ) 3.4 1.6 0.7 volume=908659.711 peak=302 ppm1=4.182 ppm2=8.183

assign ( resid 23 and name HG2#
	 )
       ( resid 26 and name HD2
	 ) 3.9 2.1 0.8 volume=434169.904 peak=303 ppm1=1.061 ppm2=6.637

assign ( resid 2 and name HG2#
	 )
       ( resid 2 and name HB
	 ) 3.2 1.4 0.6 volume=1500196.781 peak=304 ppm1=0.388 ppm2=1.499

assign ( resid 9 and name HN
	 )
       ( resid 9 and name HB2
	 ) 3.6 1.8 0.7 volume=726188.609 peak=305 ppm1=8.032 ppm2=3.209

assign ( resid 20 and name HA
	 )
       ( resid 23 and name HB
	 ) 3.3 1.5 0.7 volume=1088364.852 peak=307 ppm1=3.913 ppm2=2.235

assign ( resid 25 and name HG11
	 )
       ( resid 25 and name HB
	 ) 2.8 1.0 0.6 volume=2835765.172 peak=308 ppm1=0.442 ppm2=1.562

assign ( resid 27 and name HN
	 )
       ( resid 26 and name HN
	 ) 3.7 1.9 0.7 volume=551899.207 peak=309 ppm1=7.625 ppm2=7.158

assign ( resid 23 and name HB
	 )
       ( resid 23 and name HG1#
	 ) 2.9 1.1 0.6 volume=2605649.922 peak=310 ppm1=2.225 ppm2=1.169

assign ( resid 22 and name HA
	 )
       ( resid 22 and name HN
	 ) 3.3 1.5 0.7 volume=1086286.852 peak=311 ppm1=4.032 ppm2=7.291

assign ( resid 25 and name HA
	 )
       ( resid 24 and name HB2
	 ) 3.6 1.8 0.7 volume=657683.578 peak=312 ppm1=3.792 ppm2=1.709

assign ( resid 13 and name HZ
	 )
       ( resid 11 and name HB1
	 ) 3.6 1.8 0.7 volume=644169.973 peak=313 ppm1=6.226 ppm2=1.896

assign ( resid 5 and name HA
	 )
       ( resid 6 and name HN
	 ) 3.2 1.4 0.6 volume=1483109.852 peak=314 ppm1=4.989 ppm2=8.818

assign ( resid 12 and name HD2
	 or resid 12 and name HD1
	 )
       ( resid 12 and name HN
	 ) 3.3 1.5 0.7 volume=1107111.242 peak=315 ppm1=1.341 ppm2=7.592

assign ( resid 23 and name HG1#
	 )
       ( resid 23 and name HA
	 ) 3.2 1.4 0.6 volume=1315321.129 peak=316 ppm1=1.165 ppm2=3.462

assign ( resid 6 and name HB2
	 )
       ( resid 22 and name HD2
	 ) 3.8 2.0 0.8 volume=462727.677 peak=317 ppm1=3.191 ppm2=6.801

assign ( resid 19 and name HD2#
	 )
       ( resid 19 and name HB2
	 ) 2.8 1.0 0.6 volume=2790690.453 peak=318 ppm1=0.732 ppm2=1.441

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HN
	 ) 3.3 1.5 0.7 volume=1091713.938 peak=319 ppm1=3.465 ppm2=8.244

assign ( resid 24 and name HN
	 )
       ( resid 24 and name HG2
	 or resid 24 and name HG1
	 ) 3.4 1.6 0.7 volume=1016354.234 peak=320 ppm1=6.830 ppm2=1.495

assign ( resid 6 and name HB1
	 )
       ( resid 6 and name HN
	 ) 3.3 1.5 0.7 volume=1180127.074 peak=321 ppm1=2.647 ppm2=8.818

assign ( resid 9 and name HB1
	 )
       ( resid 9 and name HA
	 ) 3.6 1.8 0.7 volume=650506.728 peak=322 ppm1=2.699 ppm2=4.937

assign ( resid 27 and name HG2#
	 )
       ( resid 27 and name HB
	 ) 2.8 1.0 0.6 volume=2857590.227 peak=323 ppm1=1.082 ppm2=4.131

assign ( resid 5 and name HA
	 )
       ( resid 12 and name HD2
	 ) 4.2 2.4 0.8 volume=267713.621 peak=324 ppm1=4.983 ppm2=1.339

assign ( resid 17 and name HN
	 )
       ( resid 17 and name HB2
	 ) 3.6 1.8 0.7 volume=727783.527 peak=325 ppm1=8.351 ppm2=2.628

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB2
	 ) 3.0 1.2 0.6 volume=1990077.742 peak=326 ppm1=4.931 ppm2=3.237

assign ( resid 20 and name HN
	 )
       ( resid 19 and name HG
	 ) 3.6 1.8 0.7 volume=645550.742 peak=327 ppm1=7.733 ppm2=1.103

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 19 and name HD2#
	 ) 3.0 1.2 0.6 volume=1912162.215 peak=328 ppm1=7.004 ppm2=0.733

assign ( resid 25 and name HB
	 )
       ( resid 25 and name HN
	 ) 3.3 1.5 0.7 volume=1086981.820 peak=329 ppm1=1.559 ppm2=7.686

assign ( resid 14 and name HN
	 )
       ( resid 14 and name HA
	 ) 3.7 1.9 0.7 volume=542791.445 peak=330 ppm1=8.006 ppm2=4.143

assign ( resid 25 and name HD1#
	 )
       ( resid 25 and name HB
	 ) 3.1 1.3 0.6 volume=1711767.430 peak=331 ppm1=0.533 ppm2=1.563

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HA
	 ) 3.4 1.6 0.7 volume=912277.072 peak=332 ppm1=3.227 ppm2=4.936

assign ( resid 22 and name HN
	 )
       ( resid 21 and name HG1
	 or resid 21 and name HG2
	 ) 3.3 1.5 0.7 volume=1135382.609 peak=333 ppm1=7.290 ppm2=1.872

assign ( resid 3 and name HD1#
	 )
       ( resid 3 and name HG
	 ) 2.8 1.0 0.6 volume=3302756.469 peak=334 ppm1=0.788 ppm2=1.596

assign ( resid 23 and name HG1#
	 )
       ( resid 19 and name HD2#
	 ) 3.0 1.2 0.6 volume=1981472.555 peak=335 ppm1=1.165 ppm2=0.736

assign ( resid 24 and name HN
	 )
       ( resid 24 and name HB1
	 ) 2.8 1.0 0.6 volume=3327181.406 peak=336 ppm1=6.829 ppm2=1.637

assign ( resid 5 and name HN
	 )
       ( resid 19 and name HD1#
	 ) 4.0 2.2 0.8 volume=353289.361 peak=337 ppm1=8.477 ppm2=0.859

assign ( resid 21 and name HA
	 )
       ( resid 21 and name HG1
	 or resid 21 and name HG2
	 ) 2.8 1.0 0.6 volume=2883797.969 peak=338 ppm1=3.792 ppm2=1.887

assign ( resid 5 and name HA
	 )
       ( resid 19 and name HD1#
	 ) 3.9 2.1 0.8 volume=408458.164 peak=339 ppm1=4.983 ppm2=0.860

assign ( resid 5 and name HA
	 )
       ( resid 12 and name HB2
	 ) 4.3 2.5 0.9 volume=248624.293 peak=340 ppm1=4.988 ppm2=1.437

assign ( resid 2 and name HG12
	 )
       ( resid 2 and name HG11
	 ) 2.7 0.9 0.5 volume=3721661.656 peak=341 ppm1=1.225 ppm2=0.869

assign ( resid 19 and name HD1#
	 )
       ( resid 5 and name HN
	 ) 4.0 2.2 0.8 volume=385253.773 peak=342 ppm1=0.861 ppm2=8.477

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB1
	 ) 3.3 1.5 0.7 volume=1196323.289 peak=343 ppm1=4.182 ppm2=1.901

assign ( resid 21 and name HN
	 )
       ( resid 18 and name HA
	 ) 3.5 1.7 0.7 volume=860488.328 peak=344 ppm1=7.632 ppm2=3.912

assign ( resid 19 and name HD1#
	 )
       ( resid 19 and name HB1
	 ) 3.0 1.2 0.6 volume=2143670.531 peak=345 ppm1=0.858 ppm2=1.624

assign ( resid 26 and name HD2
	 )
       ( resid 23 and name HB
	 ) 3.7 1.9 0.7 volume=547382.152 peak=346 ppm1=6.636 ppm2=2.218

assign ( resid 21 and name HA
	 )
       ( resid 20 and name HB#
	 ) 3.6 1.8 0.7 volume=621541.467 peak=347 ppm1=3.792 ppm2=1.286

assign ( resid 28 and name HB#
	 )
       ( resid 28 and name HA
	 ) 3.1 1.3 0.6 volume=1653931.167 peak=348 ppm1=1.268 ppm2=4.150

assign ( resid 15 and name HB2
	 )
       ( resid 15 and name HN
	 ) 3.6 1.8 0.7 volume=725840.156 peak=349 ppm1=2.882 ppm2=8.894

assign ( resid 25 and name HN
	 )
       ( resid 25 and name HG2#
	 ) 3.4 1.6 0.7 volume=1007297.629 peak=350 ppm1=7.686 ppm2=0.761

assign ( resid 21 and name HN
	 )
       ( resid 21 and name HG1
	 or resid 21 and name HG2
	 ) 2.9 1.1 0.6 volume=2680387.812 peak=351 ppm1=7.632 ppm2=1.868

assign ( resid 2 and name HG2#
	 )
       ( resid 2 and name HG11
	 ) 3.2 1.4 0.6 volume=1296321.812 peak=352 ppm1=0.389 ppm2=0.860

assign ( resid 15 and name HB1
	 )
       ( resid 15 and name HN
	 ) 3.8 2.0 0.8 volume=482889.254 peak=353 ppm1=2.997 ppm2=8.891

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HD1#
	 ) 2.9 1.1 0.6 volume=2408353.156 peak=354 ppm1=1.442 ppm2=0.855

assign ( resid 25 and name HB
	 )
       ( resid 25 and name HD1#
	 ) 3.2 1.4 0.6 volume=1501694.125 peak=355 ppm1=1.558 ppm2=0.536

assign ( resid 16 and name HN
	 )
       ( resid 16 and name HB#
	 ) 2.9 1.1 0.6 volume=2534252.727 peak=356 ppm1=8.027 ppm2=0.989

assign ( resid 26 and name HE1
	 )
       ( resid 25 and name HD1#
	 ) 3.6 1.8 0.7 volume=656693.398 peak=357 ppm1=7.867 ppm2=0.530

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 6 and name HB1
	 ) 3.1 1.3 0.6 volume=1687904.852 peak=358 ppm1=6.637 ppm2=2.630

assign ( resid 18 and name HA
	 )
       ( resid 18 and name HN
	 ) 3.4 1.6 0.7 volume=936665.637 peak=359 ppm1=3.915 ppm2=8.603

assign ( resid 13 and name HZ
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 2.8 1.0 0.6 volume=2894481.703 peak=360 ppm1=6.227 ppm2=6.639

assign ( resid 10 and name HN
	 )
       ( resid 10 and name HA2
	 ) 3.3 1.5 0.7 volume=1244274.250 peak=361 ppm1=7.927 ppm2=4.049

assign ( resid 2 and name HD1#
	 )
       ( resid 2 and name HG12
	 ) 2.8 1.0 0.6 volume=2853608.562 peak=362 ppm1=0.634 ppm2=1.224

assign ( resid 19 and name HG
	 )
       ( resid 19 and name HB1
	 ) 2.7 0.9 0.5 volume=3956450.219 peak=363 ppm1=1.102 ppm2=1.625

assign ( resid 25 and name HN
	 )
       ( resid 25 and name HB
	 ) 3.1 1.3 0.6 volume=1646783.516 peak=364 ppm1=7.686 ppm2=1.561

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HN
	 ) 3.2 1.4 0.6 volume=1248516.148 peak=365 ppm1=3.195 ppm2=8.817

assign ( resid 2 and name HN
	 )
       ( resid 2 and name HA
	 ) 3.8 2.0 0.8 volume=490094.270 peak=366 ppm1=7.803 ppm2=3.870

assign ( resid 23 and name HG2#
	 )
       ( resid 23 and name HB
	 ) 2.8 1.0 0.6 volume=2965228.562 peak=367 ppm1=1.058 ppm2=2.221

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 11 and name HB2
	 ) 3.5 1.7 0.7 volume=831144.387 peak=368 ppm1=6.636 ppm2=2.059

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 22 and name HB2
	 ) 3.3 1.5 0.7 volume=1140752.562 peak=369 ppm1=6.637 ppm2=2.894

assign ( resid 5 and name HN
	 )
       ( resid 5 and name HB#
	 ) 3.4 1.6 0.7 volume=948265.977 peak=370 ppm1=8.473 ppm2=1.059

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HB
	 ) 3.0 1.2 0.6 volume=1873011.062 peak=371 ppm1=3.464 ppm2=2.220

assign ( resid 4 and name HD1
         or resid 4 and name HD2
	 )
       ( resid 4 and name HB1
	 ) 2.8 1.0 0.6 volume=3303165.109 peak=372 ppm1=6.792 ppm2=2.693

assign ( resid 22 and name HD2
	 )
       ( resid 6 and name HA
	 ) 3.4 1.6 0.7 volume=1018691.133 peak=373 ppm1=6.793 ppm2=4.335

assign ( resid 8 and name HB1
	 )
       ( resid 8 and name HB2
	 ) 2.8 1.0 0.6 volume=3104570.062 peak=374 ppm1=3.402 ppm2=3.484

assign ( resid 3 and name HD2#
	 )
       ( resid 3 and name HG
	 ) 2.8 1.0 0.6 volume=3242618.141 peak=375 ppm1=0.728 ppm2=1.596

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 13 and name HN
	 ) 3.3 1.5 0.7 volume=1134512.508 peak=376 ppm1=7.004 ppm2=8.535

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 13 and name HZ
	 ) 2.7 0.9 0.5 volume=3561468.203 peak=377 ppm1=6.637 ppm2=6.223

assign ( resid 11 and name HN
	 )
       ( resid 11 and name HA
	 ) 3.5 1.7 0.7 volume=753123.579 peak=378 ppm1=8.195 ppm2=4.182

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HD2
	 or resid 24 and name HD1
	 ) 3.4 1.6 0.7 volume=947139.074 peak=379 ppm1=3.791 ppm2=3.056

assign ( resid 9 and name HN
	 )
       ( resid 7 and name HA
	 ) 3.4 1.6 0.7 volume=965732.723 peak=380 ppm1=8.027 ppm2=4.361

assign ( resid 2 and name HG11
	 )
       ( resid 2 and name HG2#
	 ) 3.2 1.4 0.6 volume=1498936.891 peak=381 ppm1=0.858 ppm2=0.391

assign ( resid 7 and name HA
	 )
       ( resid 9 and name HN
	 ) 3.2 1.4 0.6 volume=1369654.203 peak=383 ppm1=4.361 ppm2=8.021

assign ( resid 25 and name HN
	 )
       ( resid 23 and name HA
	 ) 4.0 2.2 0.8 volume=378152.692 peak=384 ppm1=7.685 ppm2=3.460

assign ( resid 23 and name HN
	 )
       ( resid 23 and name HA
	 ) 3.3 1.5 0.7 volume=1071727.996 peak=385 ppm1=8.245 ppm2=3.461

assign ( resid 20 and name HB#
	 )
       ( resid 20 and name HN
	 ) 2.8 1.0 0.6 volume=3343301.922 peak=386 ppm1=1.295 ppm2=7.732

assign ( resid 19 and name HD1#
	 )
       ( resid 19 and name HB2
	 ) 2.7 0.9 0.5 volume=4161770.750 peak=387 ppm1=0.858 ppm2=1.440

assign ( resid 25 and name HN
	 )
       ( resid 25 and name HA
	 ) 3.2 1.4 0.6 volume=1365892.000 peak=388 ppm1=7.687 ppm2=3.792

assign ( resid 24 and name HN
	 )
       ( resid 25 and name HN
	 ) 3.2 1.4 0.6 volume=1294533.125 peak=389 ppm1=6.829 ppm2=7.683

assign ( resid 13 and name HN
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.4 1.6 0.7 volume=873917.613 peak=390 ppm1=8.535 ppm2=7.003

assign ( resid 19 and name HD2#
	 )
       ( resid 6 and name HB2
	 ) 3.9 2.1 0.8 volume=424938.402 peak=391 ppm1=0.733 ppm2=3.196

assign ( resid 6 and name HN
	 )
       ( resid 6 and name HB2
	 ) 3.2 1.4 0.6 volume=1405534.617 peak=392 ppm1=8.816 ppm2=3.192

assign ( resid 16 and name HN
	 )
       ( resid 16 and name HA
	 ) 3.3 1.5 0.7 volume=1187691.602 peak=393 ppm1=8.026 ppm2=3.161

assign ( resid 18 and name HA
	 )
       ( resid 21 and name HN
	 ) 3.3 1.5 0.7 volume=1145206.695 peak=395 ppm1=3.912 ppm2=7.634

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 18 and name HB2
	 or resid 18 and name HB1
	 ) 3.2 1.4 0.6 volume=1436801.445 peak=396 ppm1=7.003 ppm2=3.783

assign ( resid 22 and name HB2
	 )
       ( resid 22 and name HA
	 ) 3.5 1.7 0.7 volume=796675.535 peak=397 ppm1=2.915 ppm2=4.030

assign ( resid 16 and name HA
	 )
       ( resid 20 and name HN
	 ) 4.0 2.2 0.8 volume=356326.205 peak=398 ppm1=3.146 ppm2=7.729

assign ( resid 26 and name HD2
	 )
       ( resid 23 and name HG1#
	 ) 3.3 1.5 0.7 volume=1176446.891 peak=399 ppm1=6.637 ppm2=1.172

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HN
	 ) 3.2 1.4 0.6 volume=1448114.484 peak=400 ppm1=3.927 ppm2=6.828

assign ( resid 22 and name HB2
	 )
       ( resid 23 and name HN
	 ) 3.5 1.7 0.7 volume=794035.742 peak=401 ppm1=2.915 ppm2=8.246

assign ( resid 23 and name HN
	 )
       ( resid 22 and name HB2
	 ) 3.3 1.5 0.7 volume=1186793.527 peak=402 ppm1=8.246 ppm2=2.912

assign ( resid 10 and name HN
	 )
       ( resid 10 and name HA1
	 ) 3.0 1.2 0.6 volume=2009586.484 peak=403 ppm1=7.926 ppm2=3.774

assign ( resid 2 and name HG11
	 )
       ( resid 2 and name HG12
	 ) 2.7 0.9 0.5 volume=4007943.375 peak=404 ppm1=0.865 ppm2=1.224

assign ( resid 10 and name HN
	 )
       ( resid 9 and name HB1
	 ) 3.9 2.1 0.8 volume=403889.465 peak=405 ppm1=7.929 ppm2=2.692

assign ( resid 25 and name HN
	 )
       ( resid 24 and name HN
	 ) 3.3 1.5 0.7 volume=1166208.211 peak=406 ppm1=7.686 ppm2=6.835

assign ( resid 24 and name HB2
	 )
       ( resid 24 and name HA
	 ) 3.3 1.5 0.7 volume=1196905.277 peak=407 ppm1=1.715 ppm2=3.928

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HN
	 ) 3.5 1.7 0.7 volume=810067.930 peak=408 ppm1=3.065 ppm2=6.794

assign ( resid 23 and name HG1#
	 )
       ( resid 23 and name HN
	 ) 3.3 1.5 0.7 volume=1127735.023 peak=409 ppm1=1.167 ppm2=8.240

assign ( resid 17 and name HB1
	 )
       ( resid 16 and name HN
	 ) 3.8 2.0 0.8 volume=480679.351 peak=410 ppm1=2.560 ppm2=8.028

assign ( resid 18 and name HN
	 )
       ( resid 19 and name HN
	 ) 3.3 1.5 0.7 volume=1142461.289 peak=411 ppm1=8.601 ppm2=6.788

assign ( resid 16 and name HN
	 )
       ( resid 15 and name HB1
	 ) 3.7 1.9 0.7 volume=578543.926 peak=412 ppm1=8.027 ppm2=2.999

assign ( resid 19 and name HN
	 )
       ( resid 19 and name HB2
	 ) 3.8 2.0 0.8 volume=511531.337 peak=413 ppm1=6.791 ppm2=1.447

assign ( resid 20 and name HN
	 )
       ( resid 19 and name HN
	 ) 3.2 1.4 0.6 volume=1297851.996 peak=414 ppm1=7.733 ppm2=6.790

assign ( resid 23 and name HB
	 )
       ( resid 23 and name HN
	 ) 3.5 1.7 0.7 volume=781795.152 peak=415 ppm1=2.225 ppm2=8.244

assign ( resid 26 and name HD2
	 )
       ( resid 25 and name HG12
	 ) 3.7 1.9 0.7 volume=530585.788 peak=416 ppm1=6.618 ppm2=0.630

assign ( resid 20 and name HN
	 )
       ( resid 20 and name HA
	 ) 3.1 1.3 0.6 volume=1771333.570 peak=417 ppm1=7.733 ppm2=3.909

assign ( resid 6 and name HB2
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 3.9 2.1 0.8 volume=426206.693 peak=418 ppm1=3.190 ppm2=6.643

assign ( resid 4 and name HE1
         or resid 4 and name HE2
	 )
       ( resid 4 and name HA
	 ) 3.6 1.8 0.7 volume=661183.840 peak=419 ppm1=6.616 ppm2=4.355

assign ( resid 22 and name HB2
	 )
       ( resid 22 and name HB1
	 ) 2.6 0.8 0.5 volume=4315125.719 peak=420 ppm1=2.916 ppm2=2.605

assign ( resid 6 and name HN
	 )
       ( resid 5 and name HB#
	 ) 3.8 2.0 0.8 volume=461255.939 peak=421 ppm1=8.813 ppm2=1.057

assign ( resid 23 and name HB
	 )
       ( resid 20 and name HA
	 ) 3.8 2.0 0.8 volume=507795.217 peak=422 ppm1=2.233 ppm2=3.912

assign ( resid 19 and name HN
	 )
       ( resid 20 and name HN
	 ) 3.3 1.5 0.7 volume=1177333.441 peak=423 ppm1=6.791 ppm2=7.728

assign ( resid 17 and name HB2
	 )
       ( resid 16 and name HN
	 ) 3.5 1.7 0.7 volume=852798.818 peak=424 ppm1=2.631 ppm2=8.027

assign ( resid 13 and name HB1
	 )
       ( resid 13 and name HB2
	 ) 2.7 0.9 0.5 volume=3736180.500 peak=425 ppm1=3.249 ppm2=2.531

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HB1
	 ) 2.6 0.8 0.5 volume=4961771.719 peak=426 ppm1=3.194 ppm2=2.641

assign ( resid 24 and name HB1
	 )
       ( resid 24 and name HA
	 ) 3.5 1.7 0.7 volume=821182.418 peak=427 ppm1=1.626 ppm2=3.927

assign ( resid 21 and name HN
	 )
       ( resid 21 and name HA
	 ) 3.1 1.3 0.6 volume=1706003.898 peak=428 ppm1=7.631 ppm2=3.789

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HD2#
	 ) 3.0 1.2 0.6 volume=1963096.312 peak=429 ppm1=1.443 ppm2=0.732

assign ( resid 22 and name HN
	 )
       ( resid 23 and name HN
	 ) 3.2 1.4 0.6 volume=1281068.254 peak=430 ppm1=7.289 ppm2=8.244

assign ( resid 25 and name HN
	 )
       ( resid 21 and name HG1
	 ) 3.7 1.9 0.7 volume=540139.303 peak=431 ppm1=7.696 ppm2=1.894

assign ( resid 19 and name HD2#
	 )
       ( resid 6 and name HA
	 ) 3.5 1.7 0.7 volume=862658.984 peak=433 ppm1=0.732 ppm2=4.336

assign ( resid 7 and name HN
	 )
       ( resid 7 and name HA
	 ) 3.7 1.9 0.7 volume=607111.410 peak=434 ppm1=9.029 ppm2=4.334

assign ( resid 22 and name HB2
	 )
       ( resid 22 and name HN
	 ) 3.1 1.3 0.6 volume=1571929.227 peak=435 ppm1=2.915 ppm2=7.292

assign ( resid 25 and name HN
	 )
       ( resid 25 and name HG11
	 ) 3.1 1.3 0.6 volume=1531418.816 peak=437 ppm1=7.687 ppm2=0.443

assign ( resid 21 and name HE21
	 )
       ( resid 21 and name HE22
	 ) 3.3 1.5 0.7 volume=1059259.271 peak=438 ppm1=6.786 ppm2=7.610

assign ( resid 13 and name HE1
         or resid 13 and name HE2
	 )
       ( resid 19 and name HD2#
	 ) 3.3 1.5 0.7 volume=1226694.479 peak=439 ppm1=6.638 ppm2=0.735

assign ( resid 19 and name HN
	 )
       ( resid 19 and name HB1
	 ) 3.0 1.2 0.6 volume=2147860.359 peak=440 ppm1=6.791 ppm2=1.625

assign ( resid 23 and name HN
	 )
       ( resid 23 and name HB
	 ) 3.2 1.4 0.6 volume=1322876.965 peak=441 ppm1=8.245 ppm2=2.222

assign ( resid 21 and name HB2
	 or resid 21 and name HB1
	 )
       ( resid 21 and name HN
	 ) 4.0 2.2 0.8 volume=372372.872 peak=442 ppm1=2.248 ppm2=7.633

assign ( resid 23 and name HG2#
	 )
       ( resid 23 and name HA
	 ) 3.3 1.5 0.7 volume=1068111.316 peak=444 ppm1=1.058 ppm2=3.460

assign ( resid 20 and name HB#
	 )
       ( resid 21 and name HN
	 ) 3.1 1.3 0.6 volume=1721719.172 peak=445 ppm1=1.295 ppm2=7.627

assign ( resid 6 and name HB2
	 )
       ( resid 11 and name HN
	 ) 3.6 1.8 0.7 volume=698221.291 peak=446 ppm1=3.196 ppm2=8.194

assign ( resid 9 and name HB1
	 )
       ( resid 9 and name HB2
	 ) 2.6 0.8 0.5 volume=4877803.078 peak=447 ppm1=2.699 ppm2=3.233

assign ( resid 15 and name HN
	 )
       ( resid 15 and name HB2
	 ) 3.4 1.6 0.7 volume=889643.426 peak=448 ppm1=8.892 ppm2=2.882

assign ( resid 22 and name HB2
	 )
       ( resid 22 and name HD2
	 ) 3.5 1.7 0.7 volume=759444.598 peak=449 ppm1=2.916 ppm2=6.802

assign ( resid 4 and name HB1
	 )
       ( resid 19 and name HG
	 ) 3.7 1.9 0.7 volume=600008.855 peak=450 ppm1=2.695 ppm2=1.103

assign ( resid 26 and name HN
	 )
       ( resid 25 and name HA
	 ) 4.0 2.2 0.8 volume=378466.614 peak=451 ppm1=7.159 ppm2=3.787

assign ( resid 19 and name HD2#
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.2 1.4 0.6 volume=1358366.570 peak=452 ppm1=0.732 ppm2=7.003

assign ( resid 19 and name HD2#
	 )
       ( resid 23 and name HG1#
	 ) 2.9 1.1 0.6 volume=2299712.523 peak=453 ppm1=0.732 ppm2=1.159

assign ( resid 13 and name HB1
	 )
       ( resid 18 and name HB2
	 or resid 18 and name HB1
	 ) 3.4 1.6 0.7 volume=887082.281 peak=454 ppm1=3.242 ppm2=3.789

assign ( resid 9 and name HB1
	 )
       ( resid 26 and name HE1
	 ) 3.4 1.6 0.7 volume=899134.303 peak=455 ppm1=2.702 ppm2=7.874

assign ( resid 22 and name HE1
	 )
       ( resid 25 and name HD1#
	 ) 3.0 1.2 0.6 volume=1929056.156 peak=456 ppm1=7.898 ppm2=0.531

assign ( resid 23 and name HB
	 )
       ( resid 23 and name HA
	 ) 3.3 1.5 0.7 volume=1126490.016 peak=457 ppm1=2.222 ppm2=3.463

assign ( resid 16 and name HN
	 )
       ( resid 17 and name HB2
	 ) 3.1 1.3 0.6 volume=1567060.750 peak=458 ppm1=8.027 ppm2=2.642

assign ( resid 24 and name HG2
	 or resid 24 and name HG1
	 )
       ( resid 24 and name HA
	 ) 3.4 1.6 0.7 volume=896916.535 peak=459 ppm1=1.498 ppm2=3.921

assign ( resid 21 and name HG2
	 )
       ( resid 21 and name HN
	 ) 3.3 1.5 0.7 volume=1096467.668 peak=460 ppm1=1.853 ppm2=7.629

assign ( resid 20 and name HB#
	 )
       ( resid 20 and name HA
	 ) 2.6 0.8 0.5 volume=4543519.844 peak=461 ppm1=1.295 ppm2=3.907

assign ( resid 18 and name HB2
	 or resid 18 and name HB1
	 )
       ( resid 19 and name HN
	 ) 3.5 1.7 0.7 volume=796166.965 peak=462 ppm1=3.793 ppm2=6.806

assign ( resid 26 and name HB2
	 )
       ( resid 26 and name HD2
	 ) 3.4 1.6 0.7 volume=880623.047 peak=463 ppm1=3.143 ppm2=6.634

assign ( resid 13 and name HD1
         or resid 13 and name HD2
	 )
       ( resid 13 and name HB2
	 ) 2.9 1.1 0.6 volume=2267623.438 peak=464 ppm1=7.004 ppm2=2.534

assign ( resid 22 and name HB1
	 )
       ( resid 22 and name HA
	 ) 3.1 1.3 0.6 volume=1618098.289 peak=465 ppm1=2.596 ppm2=4.032

assign ( resid 23 and name HA
	 )
       ( resid 25 and name HN
	 ) 3.9 2.1 0.8 volume=436608.955 peak=466 ppm1=3.462 ppm2=7.702

assign ( resid 19 and name HA
	 )
       ( resid 22 and name HN
	 ) 3.8 2.0 0.8 volume=499309.475 peak=467 ppm1=3.061 ppm2=7.294

assign ( resid 18 and name HA
	 )
       ( resid 22 and name HN
	 ) 3.8 2.0 0.8 volume=516533.238 peak=468 ppm1=3.913 ppm2=7.295

assign ( resid 25 and name HB
	 )
       ( resid 25 and name HA
	 ) 3.1 1.3 0.6 volume=1621718.705 peak=469 ppm1=1.560 ppm2=3.793

assign ( resid 25 and name HD1#
	 )
       ( resid 25 and name HA
	 ) 3.9 2.1 0.8 volume=424641.999 peak=470 ppm1=0.535 ppm2=3.792

assign ( resid 15 and name HB1
	 )
       ( resid 15 and name HA
	 ) 3.5 1.7 0.7 volume=767273.820 peak=471 ppm1=2.999 ppm2=4.262

assign ( resid 25 and name HA
	 )
       ( resid 24 and name HB1
	 ) 3.3 1.5 0.7 volume=1065188.109 peak=472 ppm1=3.793 ppm2=1.651

assign ( resid 21 and name HG1
	 )
       ( resid 21 and name HA
	 ) 3.2 1.4 0.6 volume=1326640.311 peak=473 ppm1=1.896 ppm2=3.792

assign ( resid 13 and name HB2
	 )
       ( resid 13 and name HB1
	 ) 2.8 1.0 0.6 volume=3258061.859 peak=474 ppm1=2.529 ppm2=3.254

assign ( resid 21 and name HG1
	 )
       ( resid 21 and name HE22
	 ) 3.2 1.4 0.6 volume=1380011.336 peak=475 ppm1=1.885 ppm2=7.617

assign ( resid 26 and name HE1
	 )
       ( resid 9 and name HB1
	 ) 2.9 1.1 0.6 volume=2591270.953 peak=476 ppm1=7.867 ppm2=2.701

assign ( resid 5 and name HN
	 )
       ( resid 4 and name HA
	 ) 3.3 1.5 0.7 volume=1119779.219 peak=477 ppm1=8.474 ppm2=4.325

assign ( resid 25 and name HG11
	 )
       ( resid 25 and name HA
	 ) 3.1 1.3 0.6 volume=1532059.678 peak=478 ppm1=0.442 ppm2=3.794

assign ( resid 4 and name HA
	 )
       ( resid 3 and name HD2#
	 ) 3.2 1.4 0.6 volume=1373202.047 peak=479 ppm1=4.334 ppm2=0.725

assign ( resid 19 and name HA
	 )
       ( resid 13 and name HD1
         or resid 13 and name HD2
	 ) 3.9 2.1 0.8 volume=404763.684 peak=480 ppm1=3.065 ppm2=7.004

assign ( resid 6 and name HB1
	 )
       ( resid 6 and name HB2
	 ) 2.5 0.7 0.5 volume=5354093.438 peak=481 ppm1=2.645 ppm2=3.193

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HG
	 ) 3.5 1.7 0.7 volume=840146.506 peak=482 ppm1=4.421 ppm2=1.601

assign ( resid 23 and name HG2#
	 )
       ( resid 23 and name HN
	 ) 3.0 1.2 0.6 volume=1925686.141 peak=483 ppm1=1.058 ppm2=8.243

assign ( resid 19 and name HB1
	 )
       ( resid 20 and name HN
	 ) 3.3 1.5 0.7 volume=1101981.781 peak=484 ppm1=1.625 ppm2=7.723

assign ( resid 9 and name HB2
	 )
       ( resid 26 and name HE1
	 ) 3.7 1.9 0.7 volume=540803.625 peak=485 ppm1=3.232 ppm2=7.872

assign ( resid 19 and name HD2#
	 )
       ( resid 13 and name HE1
         or resid 13 and name HE2
	 ) 3.5 1.7 0.7 volume=791036.551 peak=486 ppm1=0.730 ppm2=6.637

assign ( resid 20 and name HN
	 )
       ( resid 17 and name HA
	 ) 3.9 2.1 0.8 volume=445664.709 peak=487 ppm1=7.733 ppm2=4.237

assign ( resid 25 and name HA
	 )
       ( resid 26 and name HN
	 ) 3.9 2.1 0.8 volume=396198.734 peak=488 ppm1=3.787 ppm2=7.165

assign ( resid 24 and name HD2
	 or resid 24 and name HD1
	 )
       ( resid 21 and name HA
	 ) 3.5 1.7 0.7 volume=776688.344 peak=489 ppm1=3.052 ppm2=3.791

# Restraints file 4: H_bond.tbl
#H-bond within helix

assign ( resid 26 and name N ) ( resid 22 and name O ) 2.8 0.4 0.5

assign ( resid 22 and name O ) ( resid 26 and name N ) 2.8 0.4 0.5

assign ( resid 23 and name N ) ( resid 19 and name O ) 2.8 0.4 0.5

assign ( resid 19 and name O ) ( resid 23 and name N ) 2.8 0.4 0.5

assign ( resid 22 and name N ) ( resid 18 and name O ) 2.8 0.4 0.5

assign ( resid 18 and name O ) ( resid 22 and name N ) 2.8 0.4 0.5

assign ( resid 21 and name N ) ( resid 17 and name O ) 2.8 0.4 0.5

assign ( resid 17 and name O ) ( resid 21 and name N ) 2.8 0.4 0.5

assign ( resid 20 and name N ) ( resid 16 and name O ) 2.8 0.4 0.5

assign ( resid 16 and name O ) ( resid 20 and name N ) 2.8 0.4 0.5

assign ( resid 18 and name N ) ( resid 16 and name O ) 2.8 0.4 0.5

assign ( resid 16 and name O ) ( resid 18 and name N ) 2.8 0.4 0.5

#H-bond between beta-strands

assign ( resid 13 and name N ) ( resid 4 and name O ) 2.8 0.4 0.5

assign ( resid 4 and name O ) ( resid 13 and name N ) 2.8 0.4 0.5

assign ( resid 4 and name N ) ( resid 13 and name O ) 2.8 0.4 0.5

assign ( resid 13 and name O ) ( resid 4 and name N ) 2.8 0.4 0.5

#H-bond between loop 1

assign ( resid 9 and name N ) ( resid 7 and name O ) 2.8 0.4 0.5

assign ( resid 7 and name O ) ( resid 9 and name N ) 2.8 0.4 0.5

assign ( resid 6 and name N ) ( resid 11 and name O ) 2.8 0.4 0.5

assign ( resid 11 and name O ) ( resid 6 and name N ) 2.8 0.4 0.5

assign ( resid 10 and name N ) ( resid 6 and name O ) 2.8 0.4 0.5

assign ( resid 6 and name O ) ( resid 10 and name N ) 2.8 0.4 0.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           HT1      HIS   1 -13.727   3.176  -1.293
    2    H2   HIS   1           HT2      HIS   1 -12.727   3.974  -0.181
    3    H3   HIS   1           HT3      HIS   1 -14.394   3.880   0.100
    4    HA   HIS   1           HA       HIS   1 -13.212   2.333   1.496
    5    HB2  HIS   1           HB2      HIS   1 -14.903   1.164  -0.713
    6    HB3  HIS   1           HB1      HIS   1 -14.326   0.188   0.634
    7    HD1  HIS   1           HD1      HIS   1 -15.426   0.575   2.946
    8    HD2  HIS   1           HD2      HIS   1 -16.939   2.981  -0.093
    9    HE1  HIS   1           HE1      HIS   1 -17.521   1.607   3.876
   10    HE2  HIS   1           HE2      HIS   1 -18.306   3.209   2.092
   11    H    ILE   2           HN       ILE   2 -12.889  -0.431   0.261
   12    HA   ILE   2           HA       ILE   2 -10.079  -0.309  -0.093
   13    HB   ILE   2           HB       ILE   2 -11.064  -2.294   0.828
   14   HG12  ILE   2          HG12      ILE   2  -9.859  -2.857  -1.895
   15   HG13  ILE   2          HG11      ILE   2  -8.971  -2.604  -0.389
   16   HG21  ILE   2          HG21      ILE   2 -13.221  -2.236  -0.289
   17   HG22  ILE   2          HG22      ILE   2 -12.467  -3.821  -0.471
   18   HG23  ILE   2          HG23      ILE   2 -12.457  -2.680  -1.816
   19   HD11  ILE   2          HD11      ILE   2 -10.845  -4.885  -0.981
   20   HD12  ILE   2          HD12      ILE   2  -9.970  -4.633   0.530
   21   HD13  ILE   2          HD13      ILE   2  -9.082  -4.955  -0.959
   22    H    LEU   3           HN       LEU   3  -9.884   1.270  -1.787
   23    HA   LEU   3           HA       LEU   3 -10.654   0.413  -4.456
   24    HB2  LEU   3           HB2      LEU   3  -9.496   2.707  -5.014
   25    HB3  LEU   3           HB1      LEU   3 -11.130   2.623  -4.392
   26    HG   LEU   3           HG       LEU   3 -10.094   3.003  -2.079
   27   HD11  LEU   3          HD11      LEU   3  -7.774   2.535  -2.671
   28   HD12  LEU   3          HD12      LEU   3  -7.961   4.170  -2.037
   29   HD13  LEU   3          HD13      LEU   3  -7.776   3.914  -3.771
   30   HD21  LEU   3          HD21      LEU   3 -11.394   4.674  -3.272
   31   HD22  LEU   3          HD22      LEU   3  -9.951   5.179  -4.152
   32   HD23  LEU   3          HD23      LEU   3 -10.045   5.416  -2.408
   33    H    TYR   4           HN       TYR   4  -7.739   0.808  -2.535
   34    HA   TYR   4           HA       TYR   4  -6.244  -0.332  -4.794
   35    HB2  TYR   4           HB2      TYR   4  -5.583   2.057  -3.142
   36    HB3  TYR   4           HB1      TYR   4  -4.260   1.008  -3.648
   37    HD1  TYR   4           HD1      TYR   4  -3.918   0.570  -6.083
   38    HD2  TYR   4           HD2      TYR   4  -6.603   3.559  -4.686
   39    HE1  TYR   4           HE1      TYR   4  -3.911   1.606  -8.306
   40    HE2  TYR   4           HE2      TYR   4  -6.600   4.607  -6.909
   41    HH   TYR   4           HH       TYR   4  -5.342   3.053  -9.667
   42    H    ALA   5           HN       ALA   5  -4.524  -1.708  -4.273
   43    HA   ALA   5           HA       ALA   5  -4.363  -2.564  -1.486
   44    HB1  ALA   5           HB1      ALA   5  -6.090  -3.962  -2.538
   45    HB2  ALA   5           HB2      ALA   5  -4.674  -4.899  -2.061
   46    HB3  ALA   5           HB3      ALA   5  -4.917  -4.471  -3.754
   47    H    CYS   6           HN       CYS   6  -2.420  -3.130  -0.861
   48    HA   CYS   6           HA       CYS   6  -0.211  -3.067  -2.744
   49    HB2  CYS   6           HB2      CYS   6  -0.104  -1.939  -0.516
   50    HB3  CYS   6           HB1      CYS   6  -0.211  -3.531   0.246
   51    H    ASP   7           HN       ASP   7  -0.029  -4.924  -3.893
   52    HA   ASP   7           HA       ASP   7  -0.990  -7.417  -2.894
   53    HB2  ASP   7           HB2      ASP   7  -0.758  -6.519  -5.365
   54    HB3  ASP   7           HB1      ASP   7   0.821  -7.296  -5.266
   55    H    SER   8           HN       SER   8   0.504  -9.414  -3.225
   56    HA   SER   8           HA       SER   8   2.187 -10.687  -2.405
   57    HB2  SER   8           HB2      SER   8   3.838  -9.201  -3.384
   58    HB3  SER   8           HB1      SER   8   3.661  -8.064  -2.043
   59    HG   SER   8           HG       SER   8   5.440  -9.252  -1.572
   60    H    CYS   9           HN       CYS   9   1.933  -7.721  -0.421
   61    HA   CYS   9           HA       CYS   9   1.932  -9.369   1.985
   62    HB2  CYS   9           HB2      CYS   9   1.506  -6.634   2.623
   63    HB3  CYS   9           HB1      CYS   9   2.988  -7.574   2.828
   64    H    GLY  10           HN       GLY  10  -0.240  -7.613  -0.055
   65    HA2  GLY  10           HA2      GLY  10  -2.520  -7.969  -0.251
   66    HA3  GLY  10           HA1      GLY  10  -2.466  -8.942   1.210
   67    H    ASP  11           HN       ASP  11  -1.302  -5.634   0.925
   68    HA   ASP  11           HA       ASP  11  -2.848  -4.931   3.267
   69    HB2  ASP  11           HB2      ASP  11  -1.148  -3.057   1.625
   70    HB3  ASP  11           HB1      ASP  11  -1.558  -2.940   3.331
   71    H    LYS  12           HN       LYS  12  -4.775  -3.887   3.271
   72    HA   LYS  12           HA       LYS  12  -5.823  -3.050   0.654
   73    HB2  LYS  12           HB2      LYS  12  -7.398  -3.554   3.181
   74    HB3  LYS  12           HB1      LYS  12  -8.032  -3.351   1.555
   75    HG2  LYS  12           HG2      LYS  12  -6.455  -5.671   2.633
   76    HG3  LYS  12           HG1      LYS  12  -8.138  -5.658   2.106
   77    HD2  LYS  12           HD2      LYS  12  -7.331  -5.088  -0.189
   78    HD3  LYS  12           HD1      LYS  12  -5.681  -5.331   0.388
   79    HE2  LYS  12           HE2      LYS  12  -7.898  -7.360   0.201
   80    HE3  LYS  12           HE1      LYS  12  -6.365  -7.349  -0.668
   81    HZ1  LYS  12           HZ1      LYS  12  -5.242  -7.647   1.493
   82    HZ2  LYS  12           HZ2      LYS  12  -6.268  -8.939   1.100
   83    HZ3  LYS  12           HZ3      LYS  12  -6.755  -7.791   2.245
   84    H    PHE  13           HN       PHE  13  -5.505  -0.934   0.310
   85    HA   PHE  13           HA       PHE  13  -5.820   0.903   2.572
   86    HB2  PHE  13           HB2      PHE  13  -4.332   1.143  -0.027
   87    HB3  PHE  13           HB1      PHE  13  -4.694   2.555   0.977
   88    HD1  PHE  13           HD1      PHE  13  -3.580   2.912   3.062
   89    HD2  PHE  13           HD2      PHE  13  -2.820  -0.592   0.774
   90    HE1  PHE  13           HE1      PHE  13  -1.591   2.453   4.430
   91    HE2  PHE  13           HE2      PHE  13  -0.829  -1.061   2.143
   92    HZ   PHE  13           HZ       PHE  13  -0.265   0.420   4.030
   93    H    LEU  14           HN       LEU  14  -7.198   2.535   2.595
   94    HA   LEU  14           HA       LEU  14  -9.212   2.692   0.479
   95    HB2  LEU  14           HB2      LEU  14  -9.087   3.955   3.225
   96    HB3  LEU  14           HB1      LEU  14 -10.382   4.223   2.078
   97    HG   LEU  14           HG       LEU  14 -10.835   1.729   2.178
   98   HD11  LEU  14          HD11      LEU  14  -8.722   0.987   3.110
   99   HD12  LEU  14          HD12      LEU  14 -10.058   0.546   4.176
  100   HD13  LEU  14          HD13      LEU  14  -9.023   1.916   4.579
  101   HD21  LEU  14          HD21      LEU  14 -11.162   3.327   4.711
  102   HD22  LEU  14          HD22      LEU  14 -12.091   1.897   4.259
  103   HD23  LEU  14          HD23      LEU  14 -12.229   3.376   3.308
  104    H    ASP  15           HN       ASP  15  -6.402   4.107   1.610
  105    HA   ASP  15           HA       ASP  15  -6.820   6.643   0.192
  106    HB2  ASP  15           HB2      ASP  15  -4.532   5.698   1.943
  107    HB3  ASP  15           HB1      ASP  15  -4.634   7.280   1.183
  108    H    ALA  16           HN       ALA  16  -5.436   7.261  -1.516
  109    HA   ALA  16           HA       ALA  16  -4.210   4.980  -2.905
  110    HB1  ALA  16           HB1      ALA  16  -5.767   6.374  -4.205
  111    HB2  ALA  16           HB2      ALA  16  -4.131   6.461  -4.858
  112    HB3  ALA  16           HB3      ALA  16  -4.765   7.789  -3.887
  113    H    ASN  17           HN       ASN  17  -3.646   8.129  -1.591
  114    HA   ASN  17           HA       ASN  17  -0.959   8.481  -2.328
  115    HB2  ASN  17           HB2      ASN  17  -2.724  10.128  -1.379
  116    HB3  ASN  17           HB1      ASN  17  -2.177   9.563   0.196
  117   HD21  ASN  17          HD21      ASN  17  -1.375  11.613   0.732
  118   HD22  ASN  17          HD22      ASN  17   0.101  12.218   0.041
  119    H    SER  18           HN       SER  18  -2.497   7.025   0.490
  120    HA   SER  18           HA       SER  18  -0.033   6.515   1.863
  121    HB2  SER  18           HB2      SER  18  -2.776   5.314   2.332
  122    HB3  SER  18           HB1      SER  18  -1.417   5.286   3.455
  123    HG   SER  18           HG       SER  18  -2.072   7.145   4.138
  124    H    LEU  19           HN       LEU  19  -2.140   4.751  -0.309
  125    HA   LEU  19           HA       LEU  19  -1.038   2.185   0.024
  126    HB2  LEU  19           HB2      LEU  19  -3.157   2.627  -1.134
  127    HB3  LEU  19           HB1      LEU  19  -2.298   3.459  -2.409
  128    HG   LEU  19           HG       LEU  19  -3.135   1.012  -2.746
  129   HD11  LEU  19          HD11      LEU  19  -0.394   1.899  -3.580
  130   HD12  LEU  19          HD12      LEU  19  -1.914   2.216  -4.417
  131   HD13  LEU  19          HD13      LEU  19  -1.301   0.567  -4.298
  132   HD21  LEU  19          HD21      LEU  19  -0.479   0.507  -1.417
  133   HD22  LEU  19          HD22      LEU  19  -1.487  -0.690  -2.233
  134   HD23  LEU  19          HD23      LEU  19  -2.059   0.081  -0.753
  135    H    ALA  20           HN       ALA  20  -0.455   4.556  -2.554
  136    HA   ALA  20           HA       ALA  20   1.715   3.273  -3.737
  137    HB1  ALA  20           HB1      ALA  20   0.489   5.139  -4.758
  138    HB2  ALA  20           HB2      ALA  20   2.231   5.409  -4.774
  139    HB3  ALA  20           HB3      ALA  20   1.219   6.249  -3.599
  140    H    GLN  21           HN       GLN  21   1.727   5.613  -1.024
  141    HA   GLN  21           HA       GLN  21   4.578   5.722  -0.916
  142    HB2  GLN  21           HB2      GLN  21   4.380   7.054   0.969
  143    HB3  GLN  21           HB1      GLN  21   2.861   7.373   0.145
  144    HG2  GLN  21           HG2      GLN  21   1.670   5.935   1.629
  145    HG3  GLN  21           HG1      GLN  21   3.177   5.346   2.343
  146   HE21  GLN  21          HE21      GLN  21   4.282   6.640   3.794
  147   HE22  GLN  21          HE22      GLN  21   3.579   8.065   4.510
  148    H    HIS  22           HN       HIS  22   2.187   3.548   0.281
  149    HA   HIS  22           HA       HIS  22   3.825   2.281   2.239
  150    HB2  HIS  22           HB2      HIS  22   1.468   2.046   2.503
  151    HB3  HIS  22           HB1      HIS  22   1.274   1.447   0.851
  152    HD1  HIS  22           HD1      HIS  22   2.410   0.354   4.280
  153    HD2  HIS  22           HD2      HIS  22   1.711  -1.228   0.492
  154    HE1  HIS  22           HE1      HIS  22   2.599  -2.157   4.511
  155    H    VAL  23           HN       VAL  23   3.017   1.592  -1.155
  156    HA   VAL  23           HA       VAL  23   4.647  -0.717  -1.322
  157    HB   VAL  23           HB       VAL  23   4.749   0.549  -3.847
  158   HG11  VAL  23          HG11      VAL  23   2.893  -1.601  -2.858
  159   HG12  VAL  23          HG12      VAL  23   4.562  -1.861  -3.376
  160   HG13  VAL  23          HG13      VAL  23   3.354  -1.297  -4.533
  161   HG21  VAL  23          HG21      VAL  23   3.007   2.072  -3.146
  162   HG22  VAL  23          HG22      VAL  23   2.027   0.715  -2.585
  163   HG23  VAL  23          HG23      VAL  23   2.366   0.906  -4.305
  164    H    ARG  24           HN       ARG  24   5.301   2.658  -1.282
  165    HA   ARG  24           HA       ARG  24   8.001   2.530  -2.184
  166    HB2  ARG  24           HB2      ARG  24   6.589   4.524  -0.419
  167    HB3  ARG  24           HB1      ARG  24   8.239   4.713  -0.995
  168    HG2  ARG  24           HG2      ARG  24   7.441   4.702  -3.310
  169    HG3  ARG  24           HG1      ARG  24   5.781   4.556  -2.727
  170    HD2  ARG  24           HD2      ARG  24   6.412   6.878  -3.315
  171    HD3  ARG  24           HD1      ARG  24   5.919   6.690  -1.634
  172    HE   ARG  24           HE       ARG  24   8.743   6.450  -1.919
  173   HH11  ARG  24          HH11      ARG  24   6.144   8.798  -1.819
  174   HH12  ARG  24          HH12      ARG  24   7.160  10.069  -1.202
  175   HH21  ARG  24          HH21      ARG  24  10.077   8.145  -1.141
  176   HH22  ARG  24          HH22      ARG  24   9.383   9.710  -0.834
  177    H    ILE  25           HN       ILE  25   6.450   2.418   1.050
  178    HA   ILE  25           HA       ILE  25   8.839   2.457   2.490
  179    HB   ILE  25           HB       ILE  25   7.714   1.717   4.419
  180   HG12  ILE  25          HG12      ILE  25   5.457   0.656   2.710
  181   HG13  ILE  25          HG11      ILE  25   6.752  -0.344   3.359
  182   HG21  ILE  25          HG21      ILE  25   5.687   3.137   2.705
  183   HG22  ILE  25          HG22      ILE  25   6.980   3.893   3.636
  184   HG23  ILE  25          HG23      ILE  25   5.673   3.049   4.465
  185   HD11  ILE  25          HD11      ILE  25   4.757   1.230   4.970
  186   HD12  ILE  25          HD12      ILE  25   6.063   0.243   5.627
  187   HD13  ILE  25          HD13      ILE  25   4.758  -0.516   4.716
  188    H    HIS  26           HN       HIS  26   7.440  -0.032   0.609
  189    HA   HIS  26           HA       HIS  26   8.868  -2.208   1.805
  190    HB2  HIS  26           HB2      HIS  26   7.371  -1.933  -0.798
  191    HB3  HIS  26           HB1      HIS  26   8.204  -3.414  -0.334
  192    HD1  HIS  26           HD1      HIS  26   7.381  -4.278   2.223
  193    HD2  HIS  26           HD2      HIS  26   4.791  -1.926  -0.051
  194    HE1  HIS  26           HE1      HIS  26   5.054  -4.614   3.193
  195    H    THR  27           HN       THR  27   9.379  -0.083  -0.969
  196    HA   THR  27           HA       THR  27  11.767  -1.382  -1.830
  197    HB   THR  27           HB       THR  27  10.937   1.481  -2.353
  198    HG1  THR  27           HG1      THR  27  10.341  -0.855  -3.897
  199   HG21  THR  27          HG21      THR  27  13.246   0.964  -2.977
  200   HG22  THR  27          HG22      THR  27  12.247   1.229  -4.404
  201   HG23  THR  27          HG23      THR  27  12.689  -0.412  -3.930
  202    H    ALA  28           HN       ALA  28  10.975   1.090   0.475
  203    HA   ALA  28           HA       ALA  28  13.768   1.806   0.903
  204    HB1  ALA  28           HB1      ALA  28  12.073   3.583   0.813
  205    HB2  ALA  28           HB2      ALA  28  12.902   3.534   2.369
  206    HB3  ALA  28           HB3      ALA  28  11.273   2.876   2.217
  207    H    GLN  29           HN       GLN  29  14.221   2.175   3.381
  208    HA   GLN  29           HA       GLN  29  13.530  -0.336   4.755
  209    HB2  GLN  29           HB2      GLN  29  15.917  -0.111   4.237
  210    HB3  GLN  29           HB1      GLN  29  15.968   1.425   5.089
  211    HG2  GLN  29           HG2      GLN  29  16.910  -0.344   6.445
  212    HG3  GLN  29           HG1      GLN  29  15.438   0.285   7.184
  213   HE21  GLN  29          HE21      GLN  29  13.611  -1.001   7.258
  214   HE22  GLN  29          HE22      GLN  29  13.667  -2.707   6.981
  Start of MODEL    2
    1    H1   HIS   1           HT1      HIS   1 -15.827   2.036  -0.055
    2    H2   HIS   1           HT2      HIS   1 -14.870   0.637  -0.056
    3    H3   HIS   1           HT3      HIS   1 -14.529   1.895  -1.140
    4    HA   HIS   1           HA       HIS   1 -13.996   3.359   0.705
    5    HB2  HIS   1           HB2      HIS   1 -15.489   1.860   2.262
    6    HB3  HIS   1           HB1      HIS   1 -14.003   0.954   2.504
    7    HD1  HIS   1           HD1      HIS   1 -15.792   3.100   4.395
    8    HD2  HIS   1           HD2      HIS   1 -11.896   3.367   2.963
    9    HE1  HIS   1           HE1      HIS   1 -14.611   4.693   5.934
   10    HE2  HIS   1           HE2      HIS   1 -12.307   4.967   4.959
   11    H    ILE   2           HN       ILE   2 -13.102  -0.090   0.430
   12    HA   ILE   2           HA       ILE   2 -10.274   0.645   0.521
   13    HB   ILE   2           HB       ILE   2 -11.549  -2.084   0.242
   14   HG12  ILE   2          HG12      ILE   2 -12.053  -1.059   2.415
   15   HG13  ILE   2          HG11      ILE   2 -10.917  -2.401   2.600
   16   HG21  ILE   2          HG21      ILE   2  -9.321  -2.055  -0.703
   17   HG22  ILE   2          HG22      ILE   2  -9.308  -2.934   0.826
   18   HG23  ILE   2          HG23      ILE   2  -8.685  -1.285   0.752
   19   HD11  ILE   2          HD11      ILE   2 -10.314  -0.508   4.009
   20   HD12  ILE   2          HD12      ILE   2 -10.193   0.525   2.585
   21   HD13  ILE   2          HD13      ILE   2  -9.074  -0.823   2.796
   22    H    LEU   3           HN       LEU   3  -9.768   1.623  -1.372
   23    HA   LEU   3           HA       LEU   3 -10.770   0.526  -3.873
   24    HB2  LEU   3           HB2      LEU   3 -10.582   3.047  -3.145
   25    HB3  LEU   3           HB1      LEU   3  -8.936   2.884  -3.718
   26    HG   LEU   3           HG       LEU   3 -10.482   3.856  -5.403
   27   HD11  LEU   3          HD11      LEU   3  -9.823   2.418  -7.282
   28   HD12  LEU   3          HD12      LEU   3  -9.299   1.183  -6.138
   29   HD13  LEU   3          HD13      LEU   3  -8.482   2.744  -6.185
   30   HD21  LEU   3          HD21      LEU   3 -11.762   1.131  -5.306
   31   HD22  LEU   3          HD22      LEU   3 -12.092   2.373  -6.514
   32   HD23  LEU   3          HD23      LEU   3 -12.499   2.657  -4.822
   33    H    TYR   4           HN       TYR   4  -7.600   1.405  -2.486
   34    HA   TYR   4           HA       TYR   4  -6.312  -0.135  -4.622
   35    HB2  TYR   4           HB2      TYR   4  -5.438   2.137  -2.903
   36    HB3  TYR   4           HB1      TYR   4  -4.214   1.031  -3.525
   37    HD1  TYR   4           HD1      TYR   4  -3.777   0.872  -5.899
   38    HD2  TYR   4           HD2      TYR   4  -6.686   3.583  -4.399
   39    HE1  TYR   4           HE1      TYR   4  -3.814   2.017  -8.065
   40    HE2  TYR   4           HE2      TYR   4  -6.729   4.744  -6.564
   41    HH   TYR   4           HH       TYR   4  -5.262   3.438  -9.382
   42    H    ALA   5           HN       ALA   5  -4.755  -1.678  -4.223
   43    HA   ALA   5           HA       ALA   5  -4.485  -2.576  -1.444
   44    HB1  ALA   5           HB1      ALA   5  -5.007  -4.376  -3.810
   45    HB2  ALA   5           HB2      ALA   5  -6.167  -3.973  -2.542
   46    HB3  ALA   5           HB3      ALA   5  -4.716  -4.896  -2.148
   47    H    CYS   6           HN       CYS   6  -2.507  -3.113  -0.848
   48    HA   CYS   6           HA       CYS   6  -0.322  -2.818  -2.722
   49    HB2  CYS   6           HB2      CYS   6  -0.183  -1.879  -0.436
   50    HB3  CYS   6           HB1      CYS   6  -0.298  -3.507   0.228
   51    H    ASP   7           HN       ASP   7   0.397  -4.478  -3.890
   52    HA   ASP   7           HA       ASP   7  -0.595  -7.118  -3.445
   53    HB2  ASP   7           HB2      ASP   7   0.619  -7.754  -5.433
   54    HB3  ASP   7           HB1      ASP   7  -0.152  -6.197  -5.720
   55    H    SER   8           HN       SER   8   0.990  -9.002  -3.565
   56    HA   SER   8           HA       SER   8   2.630 -10.261  -2.646
   57    HB2  SER   8           HB2      SER   8   3.927  -7.663  -1.790
   58    HB3  SER   8           HB1      SER   8   4.679  -9.261  -1.763
   59    HG   SER   8           HG       SER   8   3.785  -7.815  -4.046
   60    H    CYS   9           HN       CYS   9   1.887  -7.499  -0.519
   61    HA   CYS   9           HA       CYS   9   1.897  -9.311   1.780
   62    HB2  CYS   9           HB2      CYS   9   1.370  -6.601   2.524
   63    HB3  CYS   9           HB1      CYS   9   2.837  -7.548   2.801
   64    H    GLY  10           HN       GLY  10  -0.285  -7.540  -0.227
   65    HA2  GLY  10           HA2      GLY  10  -2.560  -7.868  -0.458
   66    HA3  GLY  10           HA1      GLY  10  -2.521  -8.933   0.936
   67    H    ASP  11           HN       ASP  11  -1.401  -5.595   0.828
   68    HA   ASP  11           HA       ASP  11  -2.900  -5.021   3.223
   69    HB2  ASP  11           HB2      ASP  11  -1.325  -3.058   1.549
   70    HB3  ASP  11           HB1      ASP  11  -1.747  -2.920   3.251
   71    H    LYS  12           HN       LYS  12  -4.783  -3.945   3.407
   72    HA   LYS  12           HA       LYS  12  -6.113  -3.166   0.906
   73    HB2  LYS  12           HB2      LYS  12  -7.334  -3.573   3.644
   74    HB3  LYS  12           HB1      LYS  12  -8.193  -3.361   2.128
   75    HG2  LYS  12           HG2      LYS  12  -6.458  -5.707   2.860
   76    HG3  LYS  12           HG1      LYS  12  -8.221  -5.678   2.842
   77    HD2  LYS  12           HD2      LYS  12  -8.109  -5.124   0.408
   78    HD3  LYS  12           HD1      LYS  12  -6.362  -5.371   0.487
   79    HE2  LYS  12           HE2      LYS  12  -8.476  -7.423   1.134
   80    HE3  LYS  12           HE1      LYS  12  -7.524  -7.355  -0.347
   81    HZ1  LYS  12           HZ1      LYS  12  -6.451  -7.804   2.395
   82    HZ2  LYS  12           HZ2      LYS  12  -5.518  -7.695   0.985
   83    HZ3  LYS  12           HZ3      LYS  12  -6.614  -8.974   1.178
   84    H    PHE  13           HN       PHE  13  -5.701  -1.053   0.467
   85    HA   PHE  13           HA       PHE  13  -5.719   0.825   2.715
   86    HB2  PHE  13           HB2      PHE  13  -4.400   0.905   0.030
   87    HB3  PHE  13           HB1      PHE  13  -4.682   2.396   0.940
   88    HD1  PHE  13           HD1      PHE  13  -3.469   2.882   2.927
   89    HD2  PHE  13           HD2      PHE  13  -2.905  -0.808   0.896
   90    HE1  PHE  13           HE1      PHE  13  -1.471   2.447   4.292
   91    HE2  PHE  13           HE2      PHE  13  -0.902  -1.250   2.253
   92    HZ   PHE  13           HZ       PHE  13  -0.185   0.373   3.953
   93    H    LEU  14           HN       LEU  14  -7.098   2.386   2.928
   94    HA   LEU  14           HA       LEU  14  -9.276   2.658   1.022
   95    HB2  LEU  14           HB2      LEU  14 -10.179   4.208   2.830
   96    HB3  LEU  14           HB1      LEU  14 -10.059   2.508   3.226
   97    HG   LEU  14           HG       LEU  14  -7.821   3.119   4.340
   98   HD11  LEU  14          HD11      LEU  14  -7.684   5.413   5.192
   99   HD12  LEU  14          HD12      LEU  14  -9.058   5.859   4.181
  100   HD13  LEU  14          HD13      LEU  14  -7.546   5.342   3.437
  101   HD21  LEU  14          HD21      LEU  14  -8.966   3.767   6.415
  102   HD22  LEU  14          HD22      LEU  14  -9.771   2.437   5.588
  103   HD23  LEU  14          HD23      LEU  14 -10.439   4.065   5.492
  104    H    ASP  15           HN       ASP  15  -6.352   3.748   0.999
  105    HA   ASP  15           HA       ASP  15  -7.012   6.369  -0.110
  106    HB2  ASP  15           HB2      ASP  15  -6.324   6.647   2.301
  107    HB3  ASP  15           HB1      ASP  15  -4.772   5.930   1.888
  108    H    ALA  16           HN       ALA  16  -5.453   7.059  -1.697
  109    HA   ALA  16           HA       ALA  16  -4.118   4.735  -2.906
  110    HB1  ALA  16           HB1      ALA  16  -4.040   6.108  -4.944
  111    HB2  ALA  16           HB2      ALA  16  -4.782   7.444  -4.064
  112    HB3  ALA  16           HB3      ALA  16  -5.685   5.953  -4.326
  113    H    ASN  17           HN       ASN  17  -3.622   8.057  -2.010
  114    HA   ASN  17           HA       ASN  17  -0.931   8.418  -2.564
  115    HB2  ASN  17           HB2      ASN  17  -2.421  10.211  -1.917
  116    HB3  ASN  17           HB1      ASN  17  -2.705   9.462  -0.353
  117   HD21  ASN  17          HD21      ASN  17  -2.067  11.262   0.767
  118   HD22  ASN  17          HD22      ASN  17  -0.410  11.785   0.857
  119    H    SER  18           HN       SER  18  -2.495   7.210   0.395
  120    HA   SER  18           HA       SER  18  -0.033   6.658   1.748
  121    HB2  SER  18           HB2      SER  18  -2.827   5.614   2.293
  122    HB3  SER  18           HB1      SER  18  -1.455   5.501   3.394
  123    HG   SER  18           HG       SER  18  -1.561   8.016   2.795
  124    H    LEU  19           HN       LEU  19  -1.962   4.927  -0.532
  125    HA   LEU  19           HA       LEU  19  -0.941   2.324   0.059
  126    HB2  LEU  19           HB2      LEU  19  -3.072   2.663  -1.108
  127    HB3  LEU  19           HB1      LEU  19  -2.229   3.418  -2.439
  128    HG   LEU  19           HG       LEU  19  -3.038   0.946  -2.608
  129   HD11  LEU  19          HD11      LEU  19  -1.841   2.076  -4.363
  130   HD12  LEU  19          HD12      LEU  19  -1.223   0.435  -4.160
  131   HD13  LEU  19          HD13      LEU  19  -0.311   1.807  -3.527
  132   HD21  LEU  19          HD21      LEU  19  -1.354  -0.697  -1.995
  133   HD22  LEU  19          HD22      LEU  19  -1.931   0.165  -0.568
  134   HD23  LEU  19          HD23      LEU  19  -0.363   0.570  -1.271
  135    H    ALA  20           HN       ALA  20  -0.392   4.534  -2.663
  136    HA   ALA  20           HA       ALA  20   1.789   3.215  -3.786
  137    HB1  ALA  20           HB1      ALA  20   0.552   5.019  -4.901
  138    HB2  ALA  20           HB2      ALA  20   2.293   5.310  -4.918
  139    HB3  ALA  20           HB3      ALA  20   1.262   6.189  -3.789
  140    H    GLN  21           HN       GLN  21   1.758   5.604  -1.149
  141    HA   GLN  21           HA       GLN  21   4.602   5.792  -1.016
  142    HB2  GLN  21           HB2      GLN  21   4.323   7.138   0.848
  143    HB3  GLN  21           HB1      GLN  21   2.791   7.373   0.015
  144    HG2  GLN  21           HG2      GLN  21   1.688   5.842   1.493
  145    HG3  GLN  21           HG1      GLN  21   3.219   5.409   2.253
  146   HE21  GLN  21          HE21      GLN  21   0.877   6.407   3.530
  147   HE22  GLN  21          HE22      GLN  21   1.295   7.922   4.273
  148    H    HIS  22           HN       HIS  22   2.254   3.566   0.162
  149    HA   HIS  22           HA       HIS  22   3.874   2.372   2.191
  150    HB2  HIS  22           HB2      HIS  22   1.524   2.157   2.461
  151    HB3  HIS  22           HB1      HIS  22   1.317   1.551   0.817
  152    HD1  HIS  22           HD1      HIS  22   2.381   0.443   4.257
  153    HD2  HIS  22           HD2      HIS  22   1.715  -1.131   0.474
  154    HE1  HIS  22           HE1      HIS  22   2.436  -2.072   4.514
  155    H    VAL  23           HN       VAL  23   3.116   1.624  -1.187
  156    HA   VAL  23           HA       VAL  23   4.683  -0.732  -1.280
  157    HB   VAL  23           HB       VAL  23   4.837   0.470  -3.832
  158   HG11  VAL  23          HG11      VAL  23   3.365  -1.359  -4.464
  159   HG12  VAL  23          HG12      VAL  23   2.946  -1.619  -2.773
  160   HG13  VAL  23          HG13      VAL  23   4.595  -1.916  -3.329
  161   HG21  VAL  23          HG21      VAL  23   2.105   0.734  -2.603
  162   HG22  VAL  23          HG22      VAL  23   2.477   0.906  -4.318
  163   HG23  VAL  23          HG23      VAL  23   3.133   2.057  -3.154
  164    H    ARG  24           HN       ARG  24   5.458   2.573  -1.129
  165    HA   ARG  24           HA       ARG  24   8.163   2.328  -2.076
  166    HB2  ARG  24           HB2      ARG  24   6.806   4.495  -0.478
  167    HB3  ARG  24           HB1      ARG  24   8.428   4.608  -1.156
  168    HG2  ARG  24           HG2      ARG  24   7.554   4.428  -3.402
  169    HG3  ARG  24           HG1      ARG  24   5.924   4.194  -2.775
  170    HD2  ARG  24           HD2      ARG  24   6.109   6.460  -1.718
  171    HD3  ARG  24           HD1      ARG  24   7.620   6.674  -2.602
  172    HE   ARG  24           HE       ARG  24   6.070   6.098  -4.623
  173   HH11  ARG  24          HH11      ARG  24   5.383   8.200  -1.894
  174   HH12  ARG  24          HH12      ARG  24   4.160   9.101  -2.743
  175   HH21  ARG  24          HH21      ARG  24   4.450   7.276  -5.723
  176   HH22  ARG  24          HH22      ARG  24   3.606   8.557  -4.896
  177    H    ILE  25           HN       ILE  25   6.524   2.482   1.102
  178    HA   ILE  25           HA       ILE  25   8.847   2.538   2.634
  179    HB   ILE  25           HB       ILE  25   7.621   1.830   4.541
  180   HG12  ILE  25          HG12      ILE  25   5.341   0.918   2.783
  181   HG13  ILE  25          HG11      ILE  25   6.590  -0.174   3.366
  182   HG21  ILE  25          HG21      ILE  25   7.046   4.039   3.746
  183   HG22  ILE  25          HG22      ILE  25   5.635   3.270   4.472
  184   HG23  ILE  25          HG23      ILE  25   5.780   3.368   2.716
  185   HD11  ILE  25          HD11      ILE  25   5.966   0.396   5.675
  186   HD12  ILE  25          HD12      ILE  25   4.648  -0.337   4.758
  187   HD13  ILE  25          HD13      ILE  25   4.664   1.407   5.045
  188    H    HIS  26           HN       HIS  26   7.428  -0.035   0.857
  189    HA   HIS  26           HA       HIS  26   8.674  -2.207   2.186
  190    HB2  HIS  26           HB2      HIS  26   7.435  -1.895  -0.540
  191    HB3  HIS  26           HB1      HIS  26   8.207  -3.400  -0.041
  192    HD1  HIS  26           HD1      HIS  26   7.240  -4.212   2.482
  193    HD2  HIS  26           HD2      HIS  26   4.786  -1.914   0.014
  194    HE1  HIS  26           HE1      HIS  26   4.865  -4.529   3.327
  195    H    THR  27           HN       THR  27   9.687  -0.025  -0.332
  196    HA   THR  27           HA       THR  27  12.111  -1.503  -0.889
  197    HB   THR  27           HB       THR  27  11.441   1.351  -1.642
  198    HG1  THR  27           HG1      THR  27  10.092  -0.725  -2.354
  199   HG21  THR  27          HG21      THR  27  13.801   0.737  -1.899
  200   HG22  THR  27          HG22      THR  27  13.029   0.970  -3.468
  201   HG23  THR  27          HG23      THR  27  13.332  -0.660  -2.868
  202    H    ALA  28           HN       ALA  28  11.149   1.469   0.754
  203    HA   ALA  28           HA       ALA  28  12.945   1.109   2.893
  204    HB1  ALA  28           HB1      ALA  28  14.610   1.821   1.218
  205    HB2  ALA  28           HB2      ALA  28  14.451   2.988   2.530
  206    HB3  ALA  28           HB3      ALA  28  13.702   3.311   0.966
  207    H    GLN  29           HN       GLN  29  12.183   4.149   1.329
  208    HA   GLN  29           HA       GLN  29   9.650   4.658   2.264
  209    HB2  GLN  29           HB2      GLN  29  10.762   4.551   4.540
  210    HB3  GLN  29           HB1      GLN  29  11.680   5.977   4.080
  211    HG2  GLN  29           HG2      GLN  29   9.602   7.227   3.795
  212    HG3  GLN  29           HG1      GLN  29   8.679   5.798   4.255
  213   HE21  GLN  29          HE21      GLN  29  11.703   6.660   5.742
  214   HE22  GLN  29          HE22      GLN  29  11.054   7.111   7.282
  Start of MODEL    3
    1    H1   HIS   1           HT1      HIS   1 -15.533  -0.609   1.925
    2    H2   HIS   1           HT2      HIS   1 -16.800   0.220   1.161
    3    H3   HIS   1           HT3      HIS   1 -15.461   1.078   1.756
    4    HA   HIS   1           HA       HIS   1 -15.441  -0.898  -0.446
    5    HB2  HIS   1           HB2      HIS   1 -14.964   0.996  -1.916
    6    HB3  HIS   1           HB1      HIS   1 -16.496   1.233  -1.089
    7    HD1  HIS   1           HD1      HIS   1 -16.725   3.287   0.403
    8    HD2  HIS   1           HD2      HIS   1 -12.871   2.743  -1.075
    9    HE1  HIS   1           HE1      HIS   1 -15.479   5.408   0.943
   10    HE2  HIS   1           HE2      HIS   1 -13.108   4.991   0.186
   11    H    ILE   2           HN       ILE   2 -13.506  -1.636  -1.073
   12    HA   ILE   2           HA       ILE   2 -11.140  -0.554   0.287
   13    HB   ILE   2           HB       ILE   2 -10.056  -2.644  -0.911
   14   HG12  ILE   2          HG12      ILE   2 -11.837  -4.550  -0.688
   15   HG13  ILE   2          HG11      ILE   2 -13.003  -3.249  -0.951
   16   HG21  ILE   2          HG21      ILE   2 -10.117  -2.299   1.475
   17   HG22  ILE   2          HG22      ILE   2 -10.531  -3.974   1.100
   18   HG23  ILE   2          HG23      ILE   2 -11.797  -2.827   1.536
   19   HD11  ILE   2          HD11      ILE   2 -12.522  -4.373  -3.024
   20   HD12  ILE   2          HD12      ILE   2 -10.795  -4.087  -2.815
   21   HD13  ILE   2          HD13      ILE   2 -11.887  -2.728  -3.079
   22    H    LEU   3           HN       LEU   3  -9.675   0.621  -0.765
   23    HA   LEU   3           HA       LEU   3 -10.437   1.425  -3.452
   24    HB2  LEU   3           HB2      LEU   3  -9.678   2.858  -1.284
   25    HB3  LEU   3           HB1      LEU   3  -8.145   2.725  -2.120
   26    HG   LEU   3           HG       LEU   3 -10.682   3.948  -3.200
   27   HD11  LEU   3          HD11      LEU   3  -8.015   5.142  -2.458
   28   HD12  LEU   3          HD12      LEU   3  -9.541   5.353  -1.598
   29   HD13  LEU   3          HD13      LEU   3  -9.349   6.008  -3.224
   30   HD21  LEU   3          HD21      LEU   3  -9.348   4.542  -5.167
   31   HD22  LEU   3          HD22      LEU   3  -9.513   2.798  -4.985
   32   HD23  LEU   3          HD23      LEU   3  -8.004   3.590  -4.536
   33    H    TYR   4           HN       TYR   4  -7.241   0.959  -1.914
   34    HA   TYR   4           HA       TYR   4  -6.416  -0.397  -4.388
   35    HB2  TYR   4           HB2      TYR   4  -4.970   1.768  -2.882
   36    HB3  TYR   4           HB1      TYR   4  -4.109   0.636  -3.924
   37    HD1  TYR   4           HD1      TYR   4  -5.336   0.331  -6.310
   38    HD2  TYR   4           HD2      TYR   4  -5.506   3.795  -3.855
   39    HE1  TYR   4           HE1      TYR   4  -5.850   1.692  -8.285
   40    HE2  TYR   4           HE2      TYR   4  -6.023   5.174  -5.827
   41    HH   TYR   4           HH       TYR   4  -6.931   3.824  -8.819
   42    H    ALA   5           HN       ALA   5  -4.902  -2.023  -4.196
   43    HA   ALA   5           HA       ALA   5  -4.444  -2.941  -1.443
   44    HB1  ALA   5           HB1      ALA   5  -5.068  -4.665  -3.838
   45    HB2  ALA   5           HB2      ALA   5  -6.189  -4.271  -2.536
   46    HB3  ALA   5           HB3      ALA   5  -4.751  -5.234  -2.199
   47    H    CYS   6           HN       CYS   6  -2.406  -2.984  -0.953
   48    HA   CYS   6           HA       CYS   6  -0.277  -2.981  -2.844
   49    HB2  CYS   6           HB2      CYS   6  -0.145  -2.025  -0.554
   50    HB3  CYS   6           HB1      CYS   6  -0.241  -3.659   0.104
   51    H    ASP   7           HN       ASP   7   0.528  -4.684  -3.911
   52    HA   ASP   7           HA       ASP   7  -0.693  -7.253  -3.522
   53    HB2  ASP   7           HB2      ASP   7  -0.217  -6.325  -5.773
   54    HB3  ASP   7           HB1      ASP   7   1.506  -6.425  -5.433
   55    H    SER   8           HN       SER   8   0.530  -9.264  -3.381
   56    HA   SER   8           HA       SER   8   2.121 -10.679  -2.618
   57    HB2  SER   8           HB2      SER   8   3.826  -9.083  -3.548
   58    HB3  SER   8           HB1      SER   8   3.875  -8.298  -1.966
   59    HG   SER   8           HG       SER   8   4.383 -11.061  -2.415
   60    H    CYS   9           HN       CYS   9   1.823  -7.752  -0.602
   61    HA   CYS   9           HA       CYS   9   1.939  -9.439   1.782
   62    HB2  CYS   9           HB2      CYS   9   1.482  -6.709   2.463
   63    HB3  CYS   9           HB1      CYS   9   2.962  -7.652   2.672
   64    H    GLY  10           HN       GLY  10  -0.314  -7.555  -0.076
   65    HA2  GLY  10           HA2      GLY  10  -2.617  -7.835  -0.166
   66    HA3  GLY  10           HA1      GLY  10  -2.526  -8.860   1.259
   67    H    ASP  11           HN       ASP  11  -1.403  -5.534   0.785
   68    HA   ASP  11           HA       ASP  11  -2.811  -4.799   3.245
   69    HB2  ASP  11           HB2      ASP  11  -0.931  -3.023   1.687
   70    HB3  ASP  11           HB1      ASP  11  -1.354  -2.935   3.391
   71    H    LYS  12           HN       LYS  12  -4.841  -4.087   2.974
   72    HA   LYS  12           HA       LYS  12  -5.535  -2.717   0.476
   73    HB2  LYS  12           HB2      LYS  12  -7.131  -4.194   2.541
   74    HB3  LYS  12           HB1      LYS  12  -7.927  -3.033   1.489
   75    HG2  LYS  12           HG2      LYS  12  -8.197  -5.196   0.544
   76    HG3  LYS  12           HG1      LYS  12  -7.065  -4.305  -0.468
   77    HD2  LYS  12           HD2      LYS  12  -5.910  -6.258  -0.316
   78    HD3  LYS  12           HD1      LYS  12  -5.311  -5.490   1.154
   79    HE2  LYS  12           HE2      LYS  12  -7.629  -7.411   1.021
   80    HE3  LYS  12           HE1      LYS  12  -5.986  -7.844   1.480
   81    HZ1  LYS  12           HZ1      LYS  12  -7.884  -6.097   2.942
   82    HZ2  LYS  12           HZ2      LYS  12  -6.231  -6.150   3.309
   83    HZ3  LYS  12           HZ3      LYS  12  -7.176  -7.548   3.466
   84    H    PHE  13           HN       PHE  13  -5.309  -0.603   0.547
   85    HA   PHE  13           HA       PHE  13  -5.998   0.853   3.007
   86    HB2  PHE  13           HB2      PHE  13  -4.373   1.658   0.587
   87    HB3  PHE  13           HB1      PHE  13  -4.833   2.783   1.867
   88    HD1  PHE  13           HD1      PHE  13  -3.638   2.878   3.888
   89    HD2  PHE  13           HD2      PHE  13  -2.905  -0.281   1.137
   90    HE1  PHE  13           HE1      PHE  13  -1.648   2.221   5.179
   91    HE2  PHE  13           HE2      PHE  13  -0.916  -0.946   2.425
   92    HZ   PHE  13           HZ       PHE  13  -0.291   0.306   4.459
   93    H    LEU  14           HN       LEU  14  -7.366   2.665   2.942
   94    HA   LEU  14           HA       LEU  14  -9.229   2.706   0.676
   95    HB2  LEU  14           HB2      LEU  14  -9.412   3.701   3.506
   96    HB3  LEU  14           HB1      LEU  14 -10.524   4.266   2.276
   97    HG   LEU  14           HG       LEU  14 -11.202   1.884   1.893
   98   HD11  LEU  14          HD11      LEU  14  -9.245   0.752   2.764
   99   HD12  LEU  14          HD12      LEU  14 -10.683   0.250   3.653
  100   HD13  LEU  14          HD13      LEU  14  -9.559   1.401   4.374
  101   HD21  LEU  14          HD21      LEU  14 -12.542   3.390   3.248
  102   HD22  LEU  14          HD22      LEU  14 -11.583   2.984   4.672
  103   HD23  LEU  14          HD23      LEU  14 -12.588   1.754   3.903
  104    H    ASP  15           HN       ASP  15  -6.511   3.861   0.745
  105    HA   ASP  15           HA       ASP  15  -7.169   6.486  -0.314
  106    HB2  ASP  15           HB2      ASP  15  -6.642   6.935   2.045
  107    HB3  ASP  15           HB1      ASP  15  -5.118   6.068   1.884
  108    H    ALA  16           HN       ALA  16  -5.390   7.329  -1.672
  109    HA   ALA  16           HA       ALA  16  -4.177   5.012  -3.010
  110    HB1  ALA  16           HB1      ALA  16  -4.573   7.847  -3.975
  111    HB2  ALA  16           HB2      ALA  16  -5.597   6.467  -4.374
  112    HB3  ALA  16           HB3      ALA  16  -3.924   6.515  -4.930
  113    H    ASN  17           HN       ASN  17  -3.474   8.247  -1.921
  114    HA   ASN  17           HA       ASN  17  -0.754   8.415  -2.321
  115    HB2  ASN  17           HB2      ASN  17  -2.109  10.273  -1.588
  116    HB3  ASN  17           HB1      ASN  17  -2.499   9.444  -0.085
  117   HD21  ASN  17          HD21      ASN  17  -1.670  10.923   1.301
  118   HD22  ASN  17          HD22      ASN  17   0.021  11.317   1.407
  119    H    SER  18           HN       SER  18  -2.497   7.162   0.501
  120    HA   SER  18           HA       SER  18  -0.187   6.484   1.995
  121    HB2  SER  18           HB2      SER  18  -2.971   5.313   2.258
  122    HB3  SER  18           HB1      SER  18  -1.718   5.352   3.500
  123    HG   SER  18           HG       SER  18  -3.051   7.587   2.335
  124    H    LEU  19           HN       LEU  19  -2.031   4.783  -0.435
  125    HA   LEU  19           HA       LEU  19  -0.935   2.203   0.121
  126    HB2  LEU  19           HB2      LEU  19  -3.086   2.548  -1.041
  127    HB3  LEU  19           HB1      LEU  19  -2.233   3.264  -2.391
  128    HG   LEU  19           HG       LEU  19  -3.031   0.812  -2.531
  129   HD11  LEU  19          HD11      LEU  19  -0.225   1.537  -3.314
  130   HD12  LEU  19          HD12      LEU  19  -1.686   1.868  -4.243
  131   HD13  LEU  19          HD13      LEU  19  -1.173   0.202  -3.970
  132   HD21  LEU  19          HD21      LEU  19  -1.409  -0.842  -1.787
  133   HD22  LEU  19          HD22      LEU  19  -2.075   0.057  -0.425
  134   HD23  LEU  19          HD23      LEU  19  -0.457   0.431  -1.021
  135    H    ALA  20           HN       ALA  20  -0.436   4.468  -2.571
  136    HA   ALA  20           HA       ALA  20   1.749   3.197  -3.735
  137    HB1  ALA  20           HB1      ALA  20   0.505   5.009  -4.813
  138    HB2  ALA  20           HB2      ALA  20   2.237   5.335  -4.808
  139    HB3  ALA  20           HB3      ALA  20   1.183   6.164  -3.667
  140    H    GLN  21           HN       GLN  21   1.731   5.519  -1.028
  141    HA   GLN  21           HA       GLN  21   4.592   5.668  -0.918
  142    HB2  GLN  21           HB2      GLN  21   4.356   6.930   1.047
  143    HB3  GLN  21           HB1      GLN  21   2.931   7.343   0.103
  144    HG2  GLN  21           HG2      GLN  21   1.579   5.833   1.417
  145    HG3  GLN  21           HG1      GLN  21   3.012   5.302   2.310
  146   HE21  GLN  21          HE21      GLN  21   0.769   7.916   1.758
  147   HE22  GLN  21          HE22      GLN  21   1.151   8.814   3.201
  148    H    HIS  22           HN       HIS  22   2.207   3.470   0.230
  149    HA   HIS  22           HA       HIS  22   3.824   2.219   2.220
  150    HB2  HIS  22           HB2      HIS  22   1.469   1.982   2.460
  151    HB3  HIS  22           HB1      HIS  22   1.285   1.408   0.799
  152    HD1  HIS  22           HD1      HIS  22   2.370   0.232   4.221
  153    HD2  HIS  22           HD2      HIS  22   1.720  -1.255   0.392
  154    HE1  HIS  22           HE1      HIS  22   2.508  -2.285   4.401
  155    H    VAL  23           HN       VAL  23   3.086   1.579  -1.186
  156    HA   VAL  23           HA       VAL  23   4.776  -0.703  -1.336
  157    HB   VAL  23           HB       VAL  23   4.809   0.437  -3.888
  158   HG11  VAL  23          HG11      VAL  23   4.521  -1.935  -3.304
  159   HG12  VAL  23          HG12      VAL  23   3.298  -1.374  -4.446
  160   HG13  VAL  23          HG13      VAL  23   2.884  -1.576  -2.743
  161   HG21  VAL  23          HG21      VAL  23   2.477   0.926  -4.352
  162   HG22  VAL  23          HG22      VAL  23   3.150   2.071  -3.191
  163   HG23  VAL  23          HG23      VAL  23   2.100   0.764  -2.637
  164    H    ARG  24           HN       ARG  24   5.331   2.662  -1.208
  165    HA   ARG  24           HA       ARG  24   8.040   2.634  -2.116
  166    HB2  ARG  24           HB2      ARG  24   6.616   4.546  -0.258
  167    HB3  ARG  24           HB1      ARG  24   8.224   4.798  -0.916
  168    HG2  ARG  24           HG2      ARG  24   6.020   4.327  -2.837
  169    HG3  ARG  24           HG1      ARG  24   6.074   5.881  -2.005
  170    HD2  ARG  24           HD2      ARG  24   7.243   5.896  -4.185
  171    HD3  ARG  24           HD1      ARG  24   8.291   6.302  -2.829
  172    HE   ARG  24           HE       ARG  24   9.176   4.013  -2.984
  173   HH11  ARG  24          HH11      ARG  24   7.410   5.280  -5.728
  174   HH12  ARG  24          HH12      ARG  24   8.301   4.351  -6.897
  175   HH21  ARG  24          HH21      ARG  24  10.331   2.771  -4.508
  176   HH22  ARG  24          HH22      ARG  24   9.951   2.891  -6.200
  177    H    ILE  25           HN       ILE  25   6.460   2.505   1.103
  178    HA   ILE  25           HA       ILE  25   8.814   2.499   2.584
  179    HB   ILE  25           HB       ILE  25   7.658   1.710   4.484
  180   HG12  ILE  25          HG12      ILE  25   5.338   0.804   2.763
  181   HG13  ILE  25          HG11      ILE  25   6.630  -0.278   3.275
  182   HG21  ILE  25          HG21      ILE  25   6.998   3.923   3.783
  183   HG22  ILE  25          HG22      ILE  25   5.633   3.086   4.522
  184   HG23  ILE  25          HG23      ILE  25   5.724   3.251   2.767
  185   HD11  ILE  25          HD11      ILE  25   4.717  -0.515   4.718
  186   HD12  ILE  25          HD12      ILE  25   4.740   1.214   5.077
  187   HD13  ILE  25          HD13      ILE  25   6.065   0.183   5.619
  188    H    HIS  26           HN       HIS  26   7.550   0.015   0.610
  189    HA   HIS  26           HA       HIS  26   8.645  -2.196   2.043
  190    HB2  HIS  26           HB2      HIS  26   7.409  -1.888  -0.669
  191    HB3  HIS  26           HB1      HIS  26   8.220  -3.389  -0.222
  192    HD1  HIS  26           HD1      HIS  26   7.293  -4.273   2.325
  193    HD2  HIS  26           HD2      HIS  26   4.779  -1.981  -0.095
  194    HE1  HIS  26           HE1      HIS  26   4.931  -4.657   3.166
  195    H    THR  27           HN       THR  27  10.256   0.179   0.467
  196    HA   THR  27           HA       THR  27  12.364  -1.597  -0.501
  197    HB   THR  27           HB       THR  27  13.539   0.516  -1.135
  198    HG1  THR  27           HG1      THR  27  12.783   2.155   0.030
  199   HG21  THR  27          HG21      THR  27  12.185  -0.637  -2.779
  200   HG22  THR  27          HG22      THR  27  12.000   1.108  -2.974
  201   HG23  THR  27          HG23      THR  27  10.732   0.171  -2.184
  202    H    ALA  28           HN       ALA  28  11.406  -0.313   2.379
  203    HA   ALA  28           HA       ALA  28  14.100  -0.599   3.512
  204    HB1  ALA  28           HB1      ALA  28  13.733   1.309   4.993
  205    HB2  ALA  28           HB2      ALA  28  12.183   1.622   4.215
  206    HB3  ALA  28           HB3      ALA  28  13.680   1.800   3.300
  207    H    GLN  29           HN       GLN  29  10.701  -0.079   4.389
  208    HA   GLN  29           HA       GLN  29   9.306  -1.044   5.868
  209    HB2  GLN  29           HB2      GLN  29  11.169  -3.397   5.526
  210    HB3  GLN  29           HB1      GLN  29   9.606  -3.462   6.333
  211    HG2  GLN  29           HG2      GLN  29   8.472  -2.870   4.294
  212    HG3  GLN  29           HG1      GLN  29  10.011  -2.639   3.468
  213   HE21  GLN  29          HE21      GLN  29  11.203  -4.975   4.769
  214   HE22  GLN  29          HE22      GLN  29  10.541  -6.343   3.943
  Start of MODEL    4
    1    H1   HIS   1           HT1      HIS   1 -14.495  -2.879   0.738
    2    H2   HIS   1           HT2      HIS   1 -15.842  -1.977   1.232
    3    H3   HIS   1           HT3      HIS   1 -14.327  -1.701   1.946
    4    HA   HIS   1           HA       HIS   1 -14.960  -1.228  -0.912
    5    HB2  HIS   1           HB2      HIS   1 -14.562   0.767   1.338
    6    HB3  HIS   1           HB1      HIS   1 -14.826   1.166  -0.354
    7    HD1  HIS   1           HD1      HIS   1 -16.573   0.948   2.739
    8    HD2  HIS   1           HD2      HIS   1 -17.515   0.059  -1.219
    9    HE1  HIS   1           HE1      HIS   1 -19.088   0.901   2.628
   10    HE2  HIS   1           HE2      HIS   1 -19.630   0.549   0.193
   11    H    ILE   2           HN       ILE   2 -12.893  -2.782  -0.634
   12    HA   ILE   2           HA       ILE   2 -10.525  -1.099  -0.167
   13    HB   ILE   2           HB       ILE   2  -9.306  -3.290   0.103
   14   HG12  ILE   2          HG12      ILE   2 -12.119  -4.390   0.350
   15   HG13  ILE   2          HG11      ILE   2 -11.041  -4.696  -1.011
   16   HG21  ILE   2          HG21      ILE   2 -10.090  -3.606   2.412
   17   HG22  ILE   2          HG22      ILE   2 -11.511  -2.626   2.052
   18   HG23  ILE   2          HG23      ILE   2  -9.904  -1.902   1.999
   19   HD11  ILE   2          HD11      ILE   2 -11.077  -6.567   0.529
   20   HD12  ILE   2          HD12      ILE   2 -10.558  -5.515   1.848
   21   HD13  ILE   2          HD13      ILE   2  -9.479  -5.823   0.486
   22    H    LEU   3           HN       LEU   3 -10.540  -0.232  -2.287
   23    HA   LEU   3           HA       LEU   3  -9.962  -2.067  -4.482
   24    HB2  LEU   3           HB2      LEU   3 -11.372  -0.198  -5.026
   25    HB3  LEU   3           HB1      LEU   3 -10.217   0.938  -4.351
   26    HG   LEU   3           HG       LEU   3  -8.618  -0.050  -6.173
   27   HD11  LEU   3          HD11      LEU   3 -11.325  -0.647  -7.347
   28   HD12  LEU   3          HD12      LEU   3 -10.082  -1.822  -6.920
   29   HD13  LEU   3          HD13      LEU   3  -9.796  -0.672  -8.226
   30   HD21  LEU   3          HD21      LEU   3  -9.415   1.682  -7.750
   31   HD22  LEU   3          HD22      LEU   3  -9.241   2.251  -6.089
   32   HD23  LEU   3          HD23      LEU   3 -10.846   1.893  -6.737
   33    H    TYR   4           HN       TYR   4  -8.402   0.469  -2.600
   34    HA   TYR   4           HA       TYR   4  -6.009   0.372  -4.196
   35    HB2  TYR   4           HB2      TYR   4  -6.812   1.974  -1.769
   36    HB3  TYR   4           HB1      TYR   4  -5.220   2.102  -2.514
   37    HD1  TYR   4           HD1      TYR   4  -5.316   2.488  -5.165
   38    HD2  TYR   4           HD2      TYR   4  -8.421   3.465  -2.427
   39    HE1  TYR   4           HE1      TYR   4  -6.208   4.132  -6.763
   40    HE2  TYR   4           HE2      TYR   4  -9.316   5.104  -4.014
   41    HH   TYR   4           HH       TYR   4  -8.372   5.244  -7.259
   42    H    ALA   5           HN       ALA   5  -5.734  -1.977  -3.647
   43    HA   ALA   5           HA       ALA   5  -4.683  -2.464  -0.964
   44    HB1  ALA   5           HB1      ALA   5  -5.303  -4.412  -3.179
   45    HB2  ALA   5           HB2      ALA   5  -6.374  -4.006  -1.836
   46    HB3  ALA   5           HB3      ALA   5  -4.842  -4.825  -1.526
   47    H    CYS   6           HN       CYS   6  -2.610  -2.870  -0.534
   48    HA   CYS   6           HA       CYS   6  -0.608  -2.698  -2.596
   49    HB2  CYS   6           HB2      CYS   6  -0.234  -1.787  -0.331
   50    HB3  CYS   6           HB1      CYS   6  -0.348  -3.420   0.331
   51    H    ASP   7           HN       ASP   7  -0.009  -4.346  -3.801
   52    HA   ASP   7           HA       ASP   7  -1.129  -6.928  -3.407
   53    HB2  ASP   7           HB2      ASP   7  -0.774  -5.858  -5.637
   54    HB3  ASP   7           HB1      ASP   7   0.960  -6.071  -5.417
   55    H    SER   8           HN       SER   8   0.070  -8.934  -3.492
   56    HA   SER   8           HA       SER   8   1.639 -10.436  -2.884
   57    HB2  SER   8           HB2      SER   8   3.440  -8.041  -2.485
   58    HB3  SER   8           HB1      SER   8   3.964  -9.725  -2.377
   59    HG   SER   8           HG       SER   8   2.596  -8.861  -4.680
   60    H    CYS   9           HN       CYS   9   1.646  -7.601  -0.710
   61    HA   CYS   9           HA       CYS   9   1.978  -9.402   1.570
   62    HB2  CYS   9           HB2      CYS   9   1.553  -6.700   2.401
   63    HB3  CYS   9           HB1      CYS   9   3.047  -7.644   2.463
   64    H    GLY  10           HN       GLY  10  -0.436  -7.482  -0.009
   65    HA2  GLY  10           HA2      GLY  10  -2.735  -7.848   0.098
   66    HA3  GLY  10           HA1      GLY  10  -2.480  -8.862   1.511
   67    H    ASP  11           HN       ASP  11  -1.487  -5.514   0.934
   68    HA   ASP  11           HA       ASP  11  -2.764  -4.799   3.472
   69    HB2  ASP  11           HB2      ASP  11  -1.001  -2.968   1.859
   70    HB3  ASP  11           HB1      ASP  11  -1.291  -2.970   3.595
   71    H    LYS  12           HN       LYS  12  -4.905  -4.541   2.916
   72    HA   LYS  12           HA       LYS  12  -5.622  -3.142   0.488
   73    HB2  LYS  12           HB2      LYS  12  -7.371  -4.247   2.693
   74    HB3  LYS  12           HB1      LYS  12  -7.957  -3.586   1.176
   75    HG2  LYS  12           HG2      LYS  12  -8.033  -5.850   0.784
   76    HG3  LYS  12           HG1      LYS  12  -6.476  -5.405   0.088
   77    HD2  LYS  12           HD2      LYS  12  -5.340  -6.156   2.101
   78    HD3  LYS  12           HD1      LYS  12  -6.889  -6.548   2.848
   79    HE2  LYS  12           HE2      LYS  12  -7.307  -8.231   1.151
   80    HE3  LYS  12           HE1      LYS  12  -5.809  -7.801   0.328
   81    HZ1  LYS  12           HZ1      LYS  12  -4.569  -8.531   2.258
   82    HZ2  LYS  12           HZ2      LYS  12  -5.566  -9.785   1.700
   83    HZ3  LYS  12           HZ3      LYS  12  -6.001  -8.902   3.082
   84    H    PHE  13           HN       PHE  13  -5.317  -0.996   0.534
   85    HA   PHE  13           HA       PHE  13  -6.250   0.519   2.867
   86    HB2  PHE  13           HB2      PHE  13  -4.599   1.399   0.484
   87    HB3  PHE  13           HB1      PHE  13  -5.061   2.433   1.841
   88    HD1  PHE  13           HD1      PHE  13  -4.284   1.681   4.179
   89    HD2  PHE  13           HD2      PHE  13  -2.621   0.216   0.544
   90    HE1  PHE  13           HE1      PHE  13  -2.254   0.995   5.388
   91    HE2  PHE  13           HE2      PHE  13  -0.594  -0.479   1.748
   92    HZ   PHE  13           HZ       PHE  13  -0.408  -0.091   4.172
   93    H    LEU  14           HN       LEU  14  -7.380   2.589   2.384
   94    HA   LEU  14           HA       LEU  14  -9.173   2.330   0.056
   95    HB2  LEU  14           HB2      LEU  14  -9.680   3.564   2.767
   96    HB3  LEU  14           HB1      LEU  14 -10.751   3.774   1.397
   97    HG   LEU  14           HG       LEU  14 -10.968   1.215   1.384
   98   HD11  LEU  14          HD11      LEU  14  -9.821   1.580   4.147
   99   HD12  LEU  14          HD12      LEU  14  -9.069   0.700   2.816
  100   HD13  LEU  14          HD13      LEU  14 -10.571   0.110   3.526
  101   HD21  LEU  14          HD21      LEU  14 -12.035   2.815   3.703
  102   HD22  LEU  14          HD22      LEU  14 -12.679   1.276   3.136
  103   HD23  LEU  14          HD23      LEU  14 -12.748   2.697   2.095
  104    H    ASP  15           HN       ASP  15  -6.497   3.580   0.450
  105    HA   ASP  15           HA       ASP  15  -7.110   6.232  -0.608
  106    HB2  ASP  15           HB2      ASP  15  -6.826   6.531   1.831
  107    HB3  ASP  15           HB1      ASP  15  -5.250   5.755   1.735
  108    H    ALA  16           HN       ALA  16  -5.424   7.067  -1.941
  109    HA   ALA  16           HA       ALA  16  -3.819   4.867  -3.033
  110    HB1  ALA  16           HB1      ALA  16  -5.303   6.058  -4.580
  111    HB2  ALA  16           HB2      ALA  16  -3.608   6.255  -5.030
  112    HB3  ALA  16           HB3      ALA  16  -4.465   7.567  -4.219
  113    H    ASN  17           HN       ASN  17  -3.639   8.134  -1.875
  114    HA   ASN  17           HA       ASN  17  -0.973   8.751  -2.133
  115    HB2  ASN  17           HB2      ASN  17  -2.599  10.341  -1.347
  116    HB3  ASN  17           HB1      ASN  17  -2.954   9.352   0.064
  117   HD21  ASN  17          HD21      ASN  17  -2.452  10.892   1.564
  118   HD22  ASN  17          HD22      ASN  17  -0.841  11.471   1.831
  119    H    SER  18           HN       SER  18  -2.563   7.056   0.553
  120    HA   SER  18           HA       SER  18  -0.098   6.503   1.928
  121    HB2  SER  18           HB2      SER  18  -2.801   5.210   2.373
  122    HB3  SER  18           HB1      SER  18  -1.482   5.366   3.532
  123    HG   SER  18           HG       SER  18  -3.076   7.458   2.437
  124    H    LEU  19           HN       LEU  19  -2.030   4.881  -0.467
  125    HA   LEU  19           HA       LEU  19  -1.029   2.254  -0.175
  126    HB2  LEU  19           HB2      LEU  19  -2.915   3.270  -1.715
  127    HB3  LEU  19           HB1      LEU  19  -1.602   3.473  -2.854
  128    HG   LEU  19           HG       LEU  19  -2.739   0.930  -1.776
  129   HD11  LEU  19          HD11      LEU  19  -2.343   1.945  -4.575
  130   HD12  LEU  19          HD12      LEU  19  -3.862   1.949  -3.684
  131   HD13  LEU  19          HD13      LEU  19  -3.104   0.420  -4.122
  132   HD21  LEU  19          HD21      LEU  19  -1.036  -0.314  -3.001
  133   HD22  LEU  19          HD22      LEU  19  -0.315   0.672  -1.726
  134   HD23  LEU  19          HD23      LEU  19  -0.226   1.200  -3.406
  135    H    ALA  20           HN       ALA  20  -0.230   4.714  -2.540
  136    HA   ALA  20           HA       ALA  20   2.032   3.605  -3.656
  137    HB1  ALA  20           HB1      ALA  20   1.494   6.547  -3.257
  138    HB2  ALA  20           HB2      ALA  20   0.867   5.552  -4.572
  139    HB3  ALA  20           HB3      ALA  20   2.602   5.842  -4.434
  140    H    GLN  21           HN       GLN  21   1.909   5.790  -0.820
  141    HA   GLN  21           HA       GLN  21   4.706   5.954  -0.479
  142    HB2  GLN  21           HB2      GLN  21   4.292   6.986   1.567
  143    HB3  GLN  21           HB1      GLN  21   2.821   7.333   0.670
  144    HG2  GLN  21           HG2      GLN  21   1.608   5.665   1.821
  145    HG3  GLN  21           HG1      GLN  21   3.079   4.988   2.520
  146   HE21  GLN  21          HE21      GLN  21   0.725   5.817   3.906
  147   HE22  GLN  21          HE22      GLN  21   1.186   7.105   4.986
  148    H    HIS  22           HN       HIS  22   2.364   3.552   0.367
  149    HA   HIS  22           HA       HIS  22   4.009   2.206   2.285
  150    HB2  HIS  22           HB2      HIS  22   1.657   2.033   2.598
  151    HB3  HIS  22           HB1      HIS  22   1.403   1.507   0.932
  152    HD1  HIS  22           HD1      HIS  22   2.532   0.212   4.299
  153    HD2  HIS  22           HD2      HIS  22   1.779  -1.152   0.445
  154    HE1  HIS  22           HE1      HIS  22   2.593  -2.312   4.411
  155    H    VAL  23           HN       VAL  23   3.201   1.755  -1.141
  156    HA   VAL  23           HA       VAL  23   4.781  -0.593  -1.408
  157    HB   VAL  23           HB       VAL  23   4.895   0.791  -3.868
  158   HG11  VAL  23          HG11      VAL  23   4.749  -1.599  -3.641
  159   HG12  VAL  23          HG12      VAL  23   3.392  -1.007  -4.601
  160   HG13  VAL  23          HG13      VAL  23   3.149  -1.458  -2.912
  161   HG21  VAL  23          HG21      VAL  23   2.157   0.888  -2.621
  162   HG22  VAL  23          HG22      VAL  23   2.525   1.198  -4.320
  163   HG23  VAL  23          HG23      VAL  23   3.150   2.275  -3.071
  164    H    ARG  24           HN       ARG  24   5.480   2.773  -1.223
  165    HA   ARG  24           HA       ARG  24   8.155   2.675  -2.176
  166    HB2  ARG  24           HB2      ARG  24   6.890   4.569  -0.190
  167    HB3  ARG  24           HB1      ARG  24   8.468   4.791  -0.941
  168    HG2  ARG  24           HG2      ARG  24   7.437   4.953  -3.134
  169    HG3  ARG  24           HG1      ARG  24   5.848   4.677  -2.422
  170    HD2  ARG  24           HD2      ARG  24   6.215   6.748  -1.051
  171    HD3  ARG  24           HD1      ARG  24   7.658   7.049  -2.017
  172    HE   ARG  24           HE       ARG  24   5.696   6.713  -3.872
  173   HH11  ARG  24          HH11      ARG  24   6.103   8.823  -1.108
  174   HH12  ARG  24          HH12      ARG  24   5.087  10.074  -1.750
  175   HH21  ARG  24          HH21      ARG  24   4.367   8.337  -4.724
  176   HH22  ARG  24          HH22      ARG  24   4.101   9.806  -3.820
  177    H    ILE  25           HN       ILE  25   6.676   2.385   1.082
  178    HA   ILE  25           HA       ILE  25   9.135   2.134   2.399
  179    HB   ILE  25           HB       ILE  25   8.042   1.297   4.319
  180   HG12  ILE  25          HG12      ILE  25   5.590   0.697   2.647
  181   HG13  ILE  25          HG11      ILE  25   6.775  -0.511   3.129
  182   HG21  ILE  25          HG21      ILE  25   6.180   2.850   4.608
  183   HG22  ILE  25          HG22      ILE  25   6.133   3.119   2.865
  184   HG23  ILE  25          HG23      ILE  25   7.548   3.614   3.796
  185   HD11  ILE  25          HD11      ILE  25   5.068   1.127   4.985
  186   HD12  ILE  25          HD12      ILE  25   6.270  -0.067   5.477
  187   HD13  ILE  25          HD13      ILE  25   4.842  -0.575   4.572
  188    H    HIS  26           HN       HIS  26   7.582  -0.042   0.304
  189    HA   HIS  26           HA       HIS  26   8.882  -2.419   1.334
  190    HB2  HIS  26           HB2      HIS  26   7.181  -1.912  -1.102
  191    HB3  HIS  26           HB1      HIS  26   7.960  -3.461  -0.794
  192    HD1  HIS  26           HD1      HIS  26   7.328  -4.297   1.890
  193    HD2  HIS  26           HD2      HIS  26   4.664  -1.936  -0.265
  194    HE1  HIS  26           HE1      HIS  26   5.041  -4.649   2.938
  195    H    THR  27           HN       THR  27   9.767   0.123  -0.751
  196    HA   THR  27           HA       THR  27  11.519  -1.531  -2.379
  197    HB   THR  27           HB       THR  27  12.163   0.560  -3.507
  198    HG1  THR  27           HG1      THR  27  10.707   1.691  -1.381
  199   HG21  THR  27          HG21      THR  27  10.219  -0.648  -4.321
  200   HG22  THR  27          HG22      THR  27   9.964   1.090  -4.485
  201   HG23  THR  27          HG23      THR  27   9.185   0.202  -3.173
  202    H    ALA  28           HN       ALA  28  11.743  -0.873   0.624
  203    HA   ALA  28           HA       ALA  28  13.388  -0.756   2.167
  204    HB1  ALA  28           HB1      ALA  28  15.716  -1.059   1.539
  205    HB2  ALA  28           HB2      ALA  28  15.309  -0.798  -0.157
  206    HB3  ALA  28           HB3      ALA  28  14.691  -2.216   0.690
  207    H    GLN  29           HN       GLN  29  14.502   0.818   3.277
  208    HA   GLN  29           HA       GLN  29  14.955   3.369   1.903
  209    HB2  GLN  29           HB2      GLN  29  13.455   3.010   4.508
  210    HB3  GLN  29           HB1      GLN  29  14.035   4.559   3.912
  211    HG2  GLN  29           HG2      GLN  29  12.630   4.247   1.889
  212    HG3  GLN  29           HG1      GLN  29  11.986   2.776   2.612
  213   HE21  GLN  29          HE21      GLN  29  10.585   2.915   4.339
  214   HE22  GLN  29          HE22      GLN  29   9.807   4.404   4.788
  Start of MODEL    5
    1    H1   HIS   1           HT1      HIS   1 -14.698   0.012   1.790
    2    H2   HIS   1           HT2      HIS   1 -16.116   0.776   1.273
    3    H3   HIS   1           HT3      HIS   1 -14.683   1.669   1.433
    4    HA   HIS   1           HA       HIS   1 -15.131  -0.535  -0.497
    5    HB2  HIS   1           HB2      HIS   1 -15.017   2.468  -0.860
    6    HB3  HIS   1           HB1      HIS   1 -14.874   1.327  -2.188
    7    HD1  HIS   1           HD1      HIS   1 -17.007   0.275  -3.074
    8    HD2  HIS   1           HD2      HIS   1 -17.601   2.646   0.290
    9    HE1  HIS   1           HE1      HIS   1 -19.501   0.569  -2.881
   10    HE2  HIS   1           HE2      HIS   1 -19.826   2.107  -0.905
   11    H    ILE   2           HN       ILE   2 -13.226  -1.616  -0.325
   12    HA   ILE   2           HA       ILE   2 -10.716  -0.358   0.061
   13    HB   ILE   2           HB       ILE   2  -9.737  -2.519  -0.769
   14   HG12  ILE   2          HG12      ILE   2 -12.641  -3.381  -0.897
   15   HG13  ILE   2          HG11      ILE   2 -11.593  -3.135  -2.297
   16   HG21  ILE   2          HG21      ILE   2 -11.818  -2.680   1.406
   17   HG22  ILE   2          HG22      ILE   2 -10.152  -2.128   1.585
   18   HG23  ILE   2          HG23      ILE   2 -10.487  -3.813   1.179
   19   HD11  ILE   2          HD11      ILE   2 -11.791  -5.486  -1.767
   20   HD12  ILE   2          HD12      ILE   2 -11.212  -5.186  -0.129
   21   HD13  ILE   2          HD13      ILE   2 -10.137  -4.934  -1.503
   22    H    LEU   3           HN       LEU   3  -9.707   0.929  -1.290
   23    HA   LEU   3           HA       LEU   3 -10.622   1.032  -4.052
   24    HB2  LEU   3           HB2      LEU   3 -10.137   2.987  -2.255
   25    HB3  LEU   3           HB1      LEU   3  -8.590   2.944  -3.072
   26    HG   LEU   3           HG       LEU   3 -11.257   3.388  -4.421
   27   HD11  LEU   3          HD11      LEU   3  -9.027   5.323  -3.816
   28   HD12  LEU   3          HD12      LEU   3 -10.591   5.261  -3.004
   29   HD13  LEU   3          HD13      LEU   3 -10.502   5.679  -4.715
   30   HD21  LEU   3          HD21      LEU   3  -9.904   3.977  -6.383
   31   HD22  LEU   3          HD22      LEU   3  -9.677   2.296  -5.904
   32   HD23  LEU   3          HD23      LEU   3  -8.447   3.499  -5.512
   33    H    TYR   4           HN       TYR   4  -7.485   1.071  -2.359
   34    HA   TYR   4           HA       TYR   4  -6.329  -0.208  -4.745
   35    HB2  TYR   4           HB2      TYR   4  -5.072   1.857  -2.929
   36    HB3  TYR   4           HB1      TYR   4  -4.183   0.932  -4.138
   37    HD1  TYR   4           HD1      TYR   4  -5.293   1.001  -6.551
   38    HD2  TYR   4           HD2      TYR   4  -5.795   3.967  -3.548
   39    HE1  TYR   4           HE1      TYR   4  -5.860   2.639  -8.279
   40    HE2  TYR   4           HE2      TYR   4  -6.370   5.620  -5.274
   41    HH   TYR   4           HH       TYR   4  -5.834   5.889  -7.805
   42    H    ALA   5           HN       ALA   5  -4.623  -1.720  -4.357
   43    HA   ALA   5           HA       ALA   5  -4.449  -2.637  -1.576
   44    HB1  ALA   5           HB1      ALA   5  -4.937  -4.450  -3.933
   45    HB2  ALA   5           HB2      ALA   5  -6.137  -3.993  -2.727
   46    HB3  ALA   5           HB3      ALA   5  -4.735  -4.948  -2.255
   47    H    CYS   6           HN       CYS   6  -2.497  -3.153  -0.916
   48    HA   CYS   6           HA       CYS   6  -0.277  -3.152  -2.791
   49    HB2  CYS   6           HB2      CYS   6  -0.176  -1.966  -0.593
   50    HB3  CYS   6           HB1      CYS   6  -0.267  -3.536   0.206
   51    H    ASP   7           HN       ASP   7  -0.014  -5.028  -3.856
   52    HA   ASP   7           HA       ASP   7  -1.058  -7.491  -2.865
   53    HB2  ASP   7           HB2      ASP   7  -0.902  -6.763  -5.310
   54    HB3  ASP   7           HB1      ASP   7   0.806  -7.186  -5.219
   55    H    SER   8           HN       SER   8   0.353  -9.514  -3.003
   56    HA   SER   8           HA       SER   8   2.080 -10.803  -2.311
   57    HB2  SER   8           HB2      SER   8   3.648  -8.224  -2.099
   58    HB3  SER   8           HB1      SER   8   4.326  -9.845  -1.915
   59    HG   SER   8           HG       SER   8   3.034  -9.930  -4.167
   60    H    CYS   9           HN       CYS   9   1.824  -7.814  -0.392
   61    HA   CYS   9           HA       CYS   9   2.074  -9.404   2.048
   62    HB2  CYS   9           HB2      CYS   9   1.584  -6.674   2.648
   63    HB3  CYS   9           HB1      CYS   9   3.110  -7.559   2.783
   64    H    GLY  10           HN       GLY  10  -0.270  -7.657   0.163
   65    HA2  GLY  10           HA2      GLY  10  -2.566  -8.041   0.156
   66    HA3  GLY  10           HA1      GLY  10  -2.399  -8.943   1.654
   67    H    ASP  11           HN       ASP  11  -1.465  -5.610   0.839
   68    HA   ASP  11           HA       ASP  11  -2.832  -4.752   3.294
   69    HB2  ASP  11           HB2      ASP  11  -0.933  -3.089   1.628
   70    HB3  ASP  11           HB1      ASP  11  -1.412  -2.833   3.301
   71    H    LYS  12           HN       LYS  12  -4.935  -4.319   2.811
   72    HA   LYS  12           HA       LYS  12  -5.596  -2.946   0.330
   73    HB2  LYS  12           HB2      LYS  12  -7.304  -4.104   2.528
   74    HB3  LYS  12           HB1      LYS  12  -7.971  -3.198   1.182
   75    HG2  LYS  12           HG2      LYS  12  -8.246  -5.469   0.649
   76    HG3  LYS  12           HG1      LYS  12  -6.905  -4.901  -0.343
   77    HD2  LYS  12           HD2      LYS  12  -5.306  -5.965   1.069
   78    HD3  LYS  12           HD1      LYS  12  -6.527  -6.307   2.296
   79    HE2  LYS  12           HE2      LYS  12  -6.008  -8.315   1.041
   80    HE3  LYS  12           HE1      LYS  12  -7.666  -7.808   0.733
   81    HZ1  LYS  12           HZ1      LYS  12  -6.774  -6.708  -1.321
   82    HZ2  LYS  12           HZ2      LYS  12  -6.755  -8.397  -1.331
   83    HZ3  LYS  12           HZ3      LYS  12  -5.319  -7.536  -1.053
   84    H    PHE  13           HN       PHE  13  -5.377  -0.823   0.281
   85    HA   PHE  13           HA       PHE  13  -5.979   0.756   2.680
   86    HB2  PHE  13           HB2      PHE  13  -4.385   1.399   0.196
   87    HB3  PHE  13           HB1      PHE  13  -4.851   2.632   1.373
   88    HD1  PHE  13           HD1      PHE  13  -3.656   2.926   3.358
   89    HD2  PHE  13           HD2      PHE  13  -2.925  -0.489   0.933
   90    HE1  PHE  13           HE1      PHE  13  -1.670   2.400   4.708
   91    HE2  PHE  13           HE2      PHE  13  -0.943  -1.027   2.281
   92    HZ   PHE  13           HZ       PHE  13  -0.311   0.418   4.171
   93    H    LEU  14           HN       LEU  14  -7.233   2.655   2.517
   94    HA   LEU  14           HA       LEU  14  -9.282   2.515   0.410
   95    HB2  LEU  14           HB2      LEU  14  -9.383   4.061   3.007
   96    HB3  LEU  14           HB1      LEU  14 -10.717   3.731   1.917
   97    HG   LEU  14           HG       LEU  14  -9.257   1.680   3.587
   98   HD11  LEU  14          HD11      LEU  14 -11.370   1.521   4.807
   99   HD12  LEU  14          HD12      LEU  14 -12.027   2.840   3.836
  100   HD13  LEU  14          HD13      LEU  14 -10.667   3.135   4.923
  101   HD21  LEU  14          HD21      LEU  14 -11.657   1.363   1.792
  102   HD22  LEU  14          HD22      LEU  14 -10.952   0.116   2.820
  103   HD23  LEU  14          HD23      LEU  14 -10.034   0.761   1.457
  104    H    ASP  15           HN       ASP  15  -6.485   3.961   0.991
  105    HA   ASP  15           HA       ASP  15  -7.222   6.488  -0.316
  106    HB2  ASP  15           HB2      ASP  15  -6.833   7.013   2.002
  107    HB3  ASP  15           HB1      ASP  15  -5.365   6.044   2.029
  108    H    ALA  16           HN       ALA  16  -5.362   7.469  -1.520
  109    HA   ALA  16           HA       ALA  16  -4.071   5.257  -2.955
  110    HB1  ALA  16           HB1      ALA  16  -4.425   8.151  -3.746
  111    HB2  ALA  16           HB2      ALA  16  -5.450   6.814  -4.264
  112    HB3  ALA  16           HB3      ALA  16  -3.761   6.874  -4.764
  113    H    ASN  17           HN       ASN  17  -3.450   8.407  -1.610
  114    HA   ASN  17           HA       ASN  17  -0.743   8.687  -1.952
  115    HB2  ASN  17           HB2      ASN  17  -2.157  10.446  -1.131
  116    HB3  ASN  17           HB1      ASN  17  -2.565   9.513   0.303
  117   HD21  ASN  17          HD21      ASN  17  -1.211   9.558   2.042
  118   HD22  ASN  17          HD22      ASN  17   0.215  10.533   2.125
  119    H    SER  18           HN       SER  18  -2.436   7.156   0.771
  120    HA   SER  18           HA       SER  18  -0.091   6.388   2.170
  121    HB2  SER  18           HB2      SER  18  -1.735   4.756   3.301
  122    HB3  SER  18           HB1      SER  18  -2.082   6.478   3.448
  123    HG   SER  18           HG       SER  18  -3.613   6.273   1.816
  124    H    LEU  19           HN       LEU  19  -2.186   4.680  -0.111
  125    HA   LEU  19           HA       LEU  19  -1.008   2.159   0.069
  126    HB2  LEU  19           HB2      LEU  19  -3.148   2.664  -1.064
  127    HB3  LEU  19           HB1      LEU  19  -2.266   3.464  -2.346
  128    HG   LEU  19           HG       LEU  19  -3.133   1.072  -2.725
  129   HD11  LEU  19          HD11      LEU  19  -1.677   2.207  -4.291
  130   HD12  LEU  19          HD12      LEU  19  -1.258   0.499  -4.157
  131   HD13  LEU  19          HD13      LEU  19  -0.268   1.718  -3.350
  132   HD21  LEU  19          HD21      LEU  19  -0.654   0.461  -1.139
  133   HD22  LEU  19          HD22      LEU  19  -1.586  -0.706  -2.076
  134   HD23  LEU  19          HD23      LEU  19  -2.312   0.081  -0.674
  135    H    ALA  20           HN       ALA  20  -0.451   4.620  -2.440
  136    HA   ALA  20           HA       ALA  20   1.678   3.318  -3.702
  137    HB1  ALA  20           HB1      ALA  20   0.423   5.194  -4.680
  138    HB2  ALA  20           HB2      ALA  20   2.167   5.450  -4.754
  139    HB3  ALA  20           HB3      ALA  20   1.201   6.296  -3.545
  140    H    GLN  21           HN       GLN  21   1.768   5.605  -0.951
  141    HA   GLN  21           HA       GLN  21   4.635   5.661  -0.963
  142    HB2  GLN  21           HB2      GLN  21   4.548   7.013   0.925
  143    HB3  GLN  21           HB1      GLN  21   3.046   7.405   0.103
  144    HG2  GLN  21           HG2      GLN  21   1.778   6.092   1.623
  145    HG3  GLN  21           HG1      GLN  21   3.242   5.397   2.328
  146   HE21  GLN  21          HE21      GLN  21   2.727   6.085   4.398
  147   HE22  GLN  21          HE22      GLN  21   2.808   7.763   4.873
  148    H    HIS  22           HN       HIS  22   2.227   3.563   0.288
  149    HA   HIS  22           HA       HIS  22   3.871   2.222   2.193
  150    HB2  HIS  22           HB2      HIS  22   1.507   2.036   2.477
  151    HB3  HIS  22           HB1      HIS  22   1.287   1.480   0.812
  152    HD1  HIS  22           HD1      HIS  22   2.393   0.273   4.209
  153    HD2  HIS  22           HD2      HIS  22   1.691  -1.186   0.375
  154    HE1  HIS  22           HE1      HIS  22   2.506  -2.246   4.369
  155    H    VAL  23           HN       VAL  23   2.993   1.600  -1.208
  156    HA   VAL  23           HA       VAL  23   4.616  -0.720  -1.417
  157    HB   VAL  23           HB       VAL  23   4.633   0.430  -3.965
  158   HG11  VAL  23          HG11      VAL  23   3.034  -1.328  -4.486
  159   HG12  VAL  23          HG12      VAL  23   2.687  -1.534  -2.769
  160   HG13  VAL  23          HG13      VAL  23   4.288  -1.931  -3.401
  161   HG21  VAL  23          HG21      VAL  23   3.035   2.110  -3.222
  162   HG22  VAL  23          HG22      VAL  23   1.962   0.829  -2.651
  163   HG23  VAL  23          HG23      VAL  23   2.305   0.992  -4.374
  164    H    ARG  24           HN       ARG  24   5.281   2.631  -1.322
  165    HA   ARG  24           HA       ARG  24   7.963   2.481  -2.308
  166    HB2  ARG  24           HB2      ARG  24   6.571   4.509  -0.568
  167    HB3  ARG  24           HB1      ARG  24   8.232   4.672  -1.110
  168    HG2  ARG  24           HG2      ARG  24   7.511   4.717  -3.433
  169    HG3  ARG  24           HG1      ARG  24   5.833   4.504  -2.928
  170    HD2  ARG  24           HD2      ARG  24   6.657   6.883  -3.473
  171    HD3  ARG  24           HD1      ARG  24   5.713   6.643  -2.004
  172    HE   ARG  24           HE       ARG  24   8.611   6.528  -1.739
  173   HH11  ARG  24          HH11      ARG  24   5.727   8.507  -1.524
  174   HH12  ARG  24          HH12      ARG  24   6.383   9.547  -0.298
  175   HH21  ARG  24          HH21      ARG  24   9.479   7.919  -0.141
  176   HH22  ARG  24          HH22      ARG  24   8.510   9.229   0.473
  177    H    ILE  25           HN       ILE  25   6.459   2.441   0.955
  178    HA   ILE  25           HA       ILE  25   8.851   2.494   2.369
  179    HB   ILE  25           HB       ILE  25   7.751   1.670   4.312
  180   HG12  ILE  25          HG12      ILE  25   5.398   0.824   2.609
  181   HG13  ILE  25          HG11      ILE  25   6.643  -0.280   3.178
  182   HG21  ILE  25          HG21      ILE  25   7.141   3.917   3.684
  183   HG22  ILE  25          HG22      ILE  25   5.759   3.107   4.424
  184   HG23  ILE  25          HG23      ILE  25   5.832   3.309   2.674
  185   HD11  ILE  25          HD11      ILE  25   4.686  -0.399   4.581
  186   HD12  ILE  25          HD12      ILE  25   4.786   1.332   4.901
  187   HD13  ILE  25          HD13      ILE  25   6.050   0.255   5.487
  188    H    HIS  26           HN       HIS  26   7.428  -0.052   0.574
  189    HA   HIS  26           HA       HIS  26   8.754  -2.228   1.836
  190    HB2  HIS  26           HB2      HIS  26   7.342  -1.925  -0.803
  191    HB3  HIS  26           HB1      HIS  26   8.148  -3.424  -0.352
  192    HD1  HIS  26           HD1      HIS  26   7.309  -4.195   2.277
  193    HD2  HIS  26           HD2      HIS  26   4.742  -1.984  -0.165
  194    HE1  HIS  26           HE1      HIS  26   4.970  -4.544   3.193
  195    H    THR  27           HN       THR  27   9.706   0.044  -0.630
  196    HA   THR  27           HA       THR  27  12.029  -1.628  -1.279
  197    HB   THR  27           HB       THR  27  10.640  -0.621  -3.147
  198    HG1  THR  27           HG1      THR  27  13.429  -0.093  -2.928
  199   HG21  THR  27          HG21      THR  27  12.002   1.923  -2.260
  200   HG22  THR  27          HG22      THR  27  10.275   1.590  -2.146
  201   HG23  THR  27          HG23      THR  27  11.045   1.717  -3.728
  202    H    ALA  28           HN       ALA  28  11.162   0.716   0.851
  203    HA   ALA  28           HA       ALA  28  13.560   2.301   0.838
  204    HB1  ALA  28           HB1      ALA  28  11.393   3.199   1.611
  205    HB2  ALA  28           HB2      ALA  28  12.661   3.342   2.826
  206    HB3  ALA  28           HB3      ALA  28  11.440   2.080   2.972
  207    H    GLN  29           HN       GLN  29  15.100   2.357   2.556
  208    HA   GLN  29           HA       GLN  29  15.271   0.037   4.282
  209    HB2  GLN  29           HB2      GLN  29  17.681  -0.351   3.514
  210    HB3  GLN  29           HB1      GLN  29  16.395  -0.946   2.482
  211    HG2  GLN  29           HG2      GLN  29  18.003  -0.014   1.053
  212    HG3  GLN  29           HG1      GLN  29  16.677   1.141   1.106
  213   HE21  GLN  29          HE21      GLN  29  17.028   3.164   1.944
  214   HE22  GLN  29          HE22      GLN  29  18.591   3.743   2.402
  Start of MODEL    6
    1    H1   HIS   1           HT1      HIS   1 -14.085   2.840   1.019
    2    H2   HIS   1           HT2      HIS   1 -13.727   2.296   2.585
    3    H3   HIS   1           HT3      HIS   1 -15.288   2.090   1.952
    4    HA   HIS   1           HA       HIS   1 -14.078   0.017   1.921
    5    HB2  HIS   1           HB2      HIS   1 -15.604   1.025  -0.066
    6    HB3  HIS   1           HB1      HIS   1 -14.108   0.766  -0.954
    7    HD1  HIS   1           HD1      HIS   1 -14.417  -1.322  -2.242
    8    HD2  HIS   1           HD2      HIS   1 -15.907  -1.649   1.625
    9    HE1  HIS   1           HE1      HIS   1 -15.220  -3.697  -2.024
   10    HE2  HIS   1           HE2      HIS   1 -16.309  -3.802   0.250
   11    H    ILE   2           HN       ILE   2 -12.215  -1.134   1.459
   12    HA   ILE   2           HA       ILE   2  -9.898   0.565   0.885
   13    HB   ILE   2           HB       ILE   2  -8.537  -1.304   1.852
   14   HG12  ILE   2          HG12      ILE   2 -10.427  -3.032   1.565
   15   HG13  ILE   2          HG11      ILE   2  -9.482  -3.090   3.051
   16   HG21  ILE   2          HG21      ILE   2  -9.059   0.687   3.112
   17   HG22  ILE   2          HG22      ILE   2  -9.061  -0.723   4.170
   18   HG23  ILE   2          HG23      ILE   2 -10.586  -0.017   3.639
   19   HD11  ILE   2          HD11      ILE   2 -12.211  -1.846   2.759
   20   HD12  ILE   2          HD12      ILE   2 -11.276  -1.971   4.250
   21   HD13  ILE   2          HD13      ILE   2 -11.867  -3.430   3.454
   22    H    LEU   3           HN       LEU   3 -10.597   0.414  -1.394
   23    HA   LEU   3           HA       LEU   3 -10.370  -2.046  -2.816
   24    HB2  LEU   3           HB2      LEU   3 -11.742  -0.223  -3.654
   25    HB3  LEU   3           HB1      LEU   3 -10.330   0.810  -3.786
   26    HG   LEU   3           HG       LEU   3  -9.468  -1.083  -5.386
   27   HD11  LEU   3          HD11      LEU   3 -12.453  -1.435  -5.557
   28   HD12  LEU   3          HD12      LEU   3 -11.284  -2.633  -4.996
   29   HD13  LEU   3          HD13      LEU   3 -11.269  -2.103  -6.679
   30   HD21  LEU   3          HD21      LEU   3  -9.824   1.217  -6.036
   31   HD22  LEU   3          HD22      LEU   3 -11.561   0.930  -6.183
   32   HD23  LEU   3          HD23      LEU   3 -10.437   0.124  -7.278
   33    H    TYR   4           HN       TYR   4  -8.176   0.634  -2.191
   34    HA   TYR   4           HA       TYR   4  -6.330  -0.027  -4.237
   35    HB2  TYR   4           HB2      TYR   4  -5.868   1.656  -1.764
   36    HB3  TYR   4           HB1      TYR   4  -4.903   1.668  -3.239
   37    HD1  TYR   4           HD1      TYR   4  -6.431   2.035  -5.455
   38    HD2  TYR   4           HD2      TYR   4  -7.356   3.373  -1.521
   39    HE1  TYR   4           HE1      TYR   4  -7.861   3.803  -6.390
   40    HE2  TYR   4           HE2      TYR   4  -8.783   5.128  -2.445
   41    HH   TYR   4           HH       TYR   4  -9.789   5.188  -5.676
   42    H    ALA   5           HN       ALA   5  -5.179  -1.847  -4.223
   43    HA   ALA   5           HA       ALA   5  -4.544  -3.049  -1.626
   44    HB1  ALA   5           HB1      ALA   5  -4.820  -4.399  -4.304
   45    HB2  ALA   5           HB2      ALA   5  -6.054  -4.347  -3.047
   46    HB3  ALA   5           HB3      ALA   5  -4.533  -5.192  -2.754
   47    H    CYS   6           HN       CYS   6  -2.554  -3.197  -0.997
   48    HA   CYS   6           HA       CYS   6  -0.331  -2.783  -2.803
   49    HB2  CYS   6           HB2      CYS   6  -0.341  -1.876  -0.480
   50    HB3  CYS   6           HB1      CYS   6  -0.342  -3.529   0.131
   51    H    ASP   7           HN       ASP   7   0.012  -4.443  -4.126
   52    HA   ASP   7           HA       ASP   7  -0.754  -7.092  -3.683
   53    HB2  ASP   7           HB2      ASP   7  -0.442  -6.192  -5.919
   54    HB3  ASP   7           HB1      ASP   7   1.274  -5.950  -5.612
   55    H    SER   8           HN       SER   8   0.567  -8.999  -3.550
   56    HA   SER   8           HA       SER   8   2.316 -10.316  -2.970
   57    HB2  SER   8           HB2      SER   8   3.892  -7.791  -2.438
   58    HB3  SER   8           HB1      SER   8   4.543  -9.430  -2.545
   59    HG   SER   8           HG       SER   8   3.027  -8.551  -4.711
   60    H    CYS   9           HN       CYS   9   1.703  -7.551  -0.818
   61    HA   CYS   9           HA       CYS   9   2.131  -9.343   1.470
   62    HB2  CYS   9           HB2      CYS   9   1.414  -6.700   2.291
   63    HB3  CYS   9           HB1      CYS   9   2.960  -7.530   2.486
   64    H    GLY  10           HN       GLY  10  -0.317  -7.366  -0.100
   65    HA2  GLY  10           HA2      GLY  10  -2.593  -7.996  -0.187
   66    HA3  GLY  10           HA1      GLY  10  -2.367  -8.934   1.279
   67    H    ASP  11           HN       ASP  11  -1.208  -5.652   0.996
   68    HA   ASP  11           HA       ASP  11  -2.799  -4.912   3.296
   69    HB2  ASP  11           HB2      ASP  11  -1.026  -3.066   1.691
   70    HB3  ASP  11           HB1      ASP  11  -1.506  -2.913   3.375
   71    H    LYS  12           HN       LYS  12  -4.751  -3.966   3.175
   72    HA   LYS  12           HA       LYS  12  -5.573  -2.898   0.558
   73    HB2  LYS  12           HB2      LYS  12  -7.395  -3.673   2.833
   74    HB3  LYS  12           HB1      LYS  12  -7.828  -3.396   1.153
   75    HG2  LYS  12           HG2      LYS  12  -6.164  -5.682   2.191
   76    HG3  LYS  12           HG1      LYS  12  -7.861  -5.762   1.717
   77    HD2  LYS  12           HD2      LYS  12  -7.246  -5.144  -0.571
   78    HD3  LYS  12           HD1      LYS  12  -5.547  -5.071  -0.095
   79    HE2  LYS  12           HE2      LYS  12  -5.607  -7.440   0.499
   80    HE3  LYS  12           HE1      LYS  12  -7.312  -7.512   0.057
   81    HZ1  LYS  12           HZ1      LYS  12  -5.007  -7.047  -1.753
   82    HZ2  LYS  12           HZ2      LYS  12  -6.627  -6.851  -2.225
   83    HZ3  LYS  12           HZ3      LYS  12  -6.067  -8.370  -1.743
   84    H    PHE  13           HN       PHE  13  -5.400  -0.764   0.459
   85    HA   PHE  13           HA       PHE  13  -5.744   0.810   2.911
   86    HB2  PHE  13           HB2      PHE  13  -4.254   1.290   0.353
   87    HB3  PHE  13           HB1      PHE  13  -4.708   2.647   1.395
   88    HD1  PHE  13           HD1      PHE  13  -3.394   3.208   3.225
   89    HD2  PHE  13           HD2      PHE  13  -2.919  -0.603   1.399
   90    HE1  PHE  13           HE1      PHE  13  -1.410   2.796   4.618
   91    HE2  PHE  13           HE2      PHE  13  -0.936  -1.024   2.792
   92    HZ   PHE  13           HZ       PHE  13  -0.200   0.679   4.433
   93    H    LEU  14           HN       LEU  14  -6.905   2.711   2.933
   94    HA   LEU  14           HA       LEU  14  -9.279   2.725   1.240
   95    HB2  LEU  14           HB2      LEU  14  -9.717   2.917   3.568
   96    HB3  LEU  14           HB1      LEU  14  -8.469   4.127   3.781
   97    HG   LEU  14           HG       LEU  14  -9.856   5.725   2.470
   98   HD11  LEU  14          HD11      LEU  14 -12.214   5.201   2.104
   99   HD12  LEU  14          HD12      LEU  14 -11.932   3.553   2.668
  100   HD13  LEU  14          HD13      LEU  14 -11.161   4.121   1.188
  101   HD21  LEU  14          HD21      LEU  14  -9.883   5.754   4.895
  102   HD22  LEU  14          HD22      LEU  14 -11.140   4.518   4.913
  103   HD23  LEU  14          HD23      LEU  14 -11.486   6.116   4.258
  104    H    ASP  15           HN       ASP  15  -6.380   4.497   1.891
  105    HA   ASP  15           HA       ASP  15  -7.119   6.567  -0.066
  106    HB2  ASP  15           HB2      ASP  15  -6.452   7.433   2.125
  107    HB3  ASP  15           HB1      ASP  15  -4.943   6.529   2.042
  108    H    ALA  16           HN       ALA  16  -5.573   7.110  -1.728
  109    HA   ALA  16           HA       ALA  16  -4.313   4.627  -2.648
  110    HB1  ALA  16           HB1      ALA  16  -4.944   7.168  -4.156
  111    HB2  ALA  16           HB2      ALA  16  -5.914   5.695  -4.163
  112    HB3  ALA  16           HB3      ALA  16  -4.294   5.689  -4.858
  113    H    ASN  17           HN       ASN  17  -3.704   7.910  -1.851
  114    HA   ASN  17           HA       ASN  17  -1.091   8.166  -2.852
  115    HB2  ASN  17           HB2      ASN  17  -2.802   9.925  -2.049
  116    HB3  ASN  17           HB1      ASN  17  -2.180   9.591  -0.439
  117   HD21  ASN  17          HD21      ASN  17  -0.177   9.486  -3.298
  118   HD22  ASN  17          HD22      ASN  17   0.781  10.876  -2.912
  119    H    SER  18           HN       SER  18  -2.424   7.244   0.268
  120    HA   SER  18           HA       SER  18   0.092   6.800   1.542
  121    HB2  SER  18           HB2      SER  18  -2.597   5.636   2.302
  122    HB3  SER  18           HB1      SER  18  -1.198   5.864   3.352
  123    HG   SER  18           HG       SER  18  -2.549   7.987   2.028
  124    H    LEU  19           HN       LEU  19  -2.000   4.898  -0.464
  125    HA   LEU  19           HA       LEU  19  -0.941   2.340   0.169
  126    HB2  LEU  19           HB2      LEU  19  -3.113   2.666  -0.930
  127    HB3  LEU  19           HB1      LEU  19  -2.315   3.361  -2.321
  128    HG   LEU  19           HG       LEU  19  -3.168   0.907  -2.369
  129   HD11  LEU  19          HD11      LEU  19  -2.013   1.949  -4.206
  130   HD12  LEU  19          HD12      LEU  19  -1.435   0.299  -3.971
  131   HD13  LEU  19          HD13      LEU  19  -0.461   1.663  -3.418
  132   HD21  LEU  19          HD21      LEU  19  -0.462   0.540  -1.099
  133   HD22  LEU  19          HD22      LEU  19  -1.472  -0.743  -1.765
  134   HD23  LEU  19          HD23      LEU  19  -2.016   0.163  -0.352
  135    H    ALA  20           HN       ALA  20  -0.451   4.453  -2.645
  136    HA   ALA  20           HA       ALA  20   1.688   3.086  -3.794
  137    HB1  ALA  20           HB1      ALA  20   0.428   4.900  -4.895
  138    HB2  ALA  20           HB2      ALA  20   2.175   5.124  -5.003
  139    HB3  ALA  20           HB3      ALA  20   1.236   6.071  -3.851
  140    H    GLN  21           HN       GLN  21   1.764   5.528  -1.204
  141    HA   GLN  21           HA       GLN  21   4.634   5.599  -1.174
  142    HB2  GLN  21           HB2      GLN  21   4.482   7.116   0.565
  143    HB3  GLN  21           HB1      GLN  21   2.965   7.389  -0.279
  144    HG2  GLN  21           HG2      GLN  21   1.775   6.061   1.334
  145    HG3  GLN  21           HG1      GLN  21   3.290   5.628   2.135
  146   HE21  GLN  21          HE21      GLN  21   4.373   7.195   3.355
  147   HE22  GLN  21          HE22      GLN  21   3.575   8.638   3.917
  148    H    HIS  22           HN       HIS  22   2.218   3.554   0.129
  149    HA   HIS  22           HA       HIS  22   3.810   2.405   2.218
  150    HB2  HIS  22           HB2      HIS  22   1.477   2.182   2.534
  151    HB3  HIS  22           HB1      HIS  22   1.220   1.618   0.880
  152    HD1  HIS  22           HD1      HIS  22   2.317   0.400   4.277
  153    HD2  HIS  22           HD2      HIS  22   1.567  -1.067   0.464
  154    HE1  HIS  22           HE1      HIS  22   2.321  -2.123   4.469
  155    H    VAL  23           HN       VAL  23   3.027   1.555  -1.140
  156    HA   VAL  23           HA       VAL  23   4.604  -0.789  -1.206
  157    HB   VAL  23           HB       VAL  23   4.777   0.369  -3.776
  158   HG11  VAL  23          HG11      VAL  23   2.857  -1.677  -2.678
  159   HG12  VAL  23          HG12      VAL  23   4.501  -2.003  -3.242
  160   HG13  VAL  23          HG13      VAL  23   3.269  -1.449  -4.379
  161   HG21  VAL  23          HG21      VAL  23   2.043   0.673  -2.569
  162   HG22  VAL  23          HG22      VAL  23   2.434   0.819  -4.284
  163   HG23  VAL  23          HG23      VAL  23   3.087   1.981  -3.130
  164    H    ARG  24           HN       ARG  24   5.363   2.511  -1.077
  165    HA   ARG  24           HA       ARG  24   8.103   2.233  -1.938
  166    HB2  ARG  24           HB2      ARG  24   6.699   4.479  -0.492
  167    HB3  ARG  24           HB1      ARG  24   8.343   4.550  -1.118
  168    HG2  ARG  24           HG2      ARG  24   7.514   4.229  -3.390
  169    HG3  ARG  24           HG1      ARG  24   5.864   4.133  -2.781
  170    HD2  ARG  24           HD2      ARG  24   6.050   6.434  -1.944
  171    HD3  ARG  24           HD1      ARG  24   7.691   6.525  -2.584
  172    HE   ARG  24           HE       ARG  24   6.144   5.803  -4.724
  173   HH11  ARG  24          HH11      ARG  24   6.139   8.479  -2.451
  174   HH12  ARG  24          HH12      ARG  24   5.494   9.612  -3.606
  175   HH21  ARG  24          HH21      ARG  24   5.270   7.298  -6.228
  176   HH22  ARG  24          HH22      ARG  24   5.008   8.945  -5.737
  177    H    ILE  25           HN       ILE  25   6.331   2.324   1.164
  178    HA   ILE  25           HA       ILE  25   8.635   2.555   2.740
  179    HB   ILE  25           HB       ILE  25   7.415   1.861   4.650
  180   HG12  ILE  25          HG12      ILE  25   5.194   0.804   2.900
  181   HG13  ILE  25          HG11      ILE  25   6.483  -0.214   3.531
  182   HG21  ILE  25          HG21      ILE  25   5.558   3.280   2.756
  183   HG22  ILE  25          HG22      ILE  25   6.745   4.016   3.834
  184   HG23  ILE  25          HG23      ILE  25   5.345   3.182   4.505
  185   HD11  ILE  25          HD11      ILE  25   5.809   0.345   5.805
  186   HD12  ILE  25          HD12      ILE  25   4.484  -0.376   4.890
  187   HD13  ILE  25          HD13      ILE  25   4.520   1.366   5.171
  188    H    HIS  26           HN       HIS  26   7.387  -0.089   0.961
  189    HA   HIS  26           HA       HIS  26   8.572  -2.200   2.453
  190    HB2  HIS  26           HB2      HIS  26   7.476  -2.039  -0.349
  191    HB3  HIS  26           HB1      HIS  26   8.209  -3.512   0.285
  192    HD1  HIS  26           HD1      HIS  26   7.045  -4.244   2.742
  193    HD2  HIS  26           HD2      HIS  26   4.825  -1.952   0.058
  194    HE1  HIS  26           HE1      HIS  26   4.615  -4.488   3.421
  195    H    THR  27           HN       THR  27   9.731  -0.121  -0.116
  196    HA   THR  27           HA       THR  27  12.154  -1.699  -0.406
  197    HB   THR  27           HB       THR  27  12.847   0.212  -1.935
  198    HG1  THR  27           HG1      THR  27  11.564   1.893  -1.404
  199   HG21  THR  27          HG21      THR  27  10.313  -1.313  -2.542
  200   HG22  THR  27          HG22      THR  27  11.967  -1.858  -2.826
  201   HG23  THR  27          HG23      THR  27  11.316  -0.499  -3.745
  202    H    ALA  28           HN       ALA  28  10.969   0.967   1.385
  203    HA   ALA  28           HA       ALA  28  11.836   2.337   2.962
  204    HB1  ALA  28           HB1      ALA  28  14.123   0.375   3.032
  205    HB2  ALA  28           HB2      ALA  28  12.612   0.220   3.932
  206    HB3  ALA  28           HB3      ALA  28  13.710   1.558   4.275
  207    H    GLN  29           HN       GLN  29  12.288   4.239   2.155
  208    HA   GLN  29           HA       GLN  29  13.361   5.996   1.222
  209    HB2  GLN  29           HB2      GLN  29  15.807   4.228   1.407
  210    HB3  GLN  29           HB1      GLN  29  15.832   5.926   0.954
  211    HG2  GLN  29           HG2      GLN  29  14.974   6.541   3.142
  212    HG3  GLN  29           HG1      GLN  29  14.882   4.840   3.597
  213   HE21  GLN  29          HE21      GLN  29  17.363   4.173   2.229
  214   HE22  GLN  29          HE22      GLN  29  18.642   4.786   3.222
  Start of MODEL    7
    1    H1   HIS   1           HT1      HIS   1 -13.166   2.820  -7.815
    2    H2   HIS   1           HT2      HIS   1 -14.148   2.770  -6.439
    3    H3   HIS   1           HT3      HIS   1 -14.551   1.842  -7.806
    4    HA   HIS   1           HA       HIS   1 -13.599   0.515  -6.021
    5    HB2  HIS   1           HB2      HIS   1 -11.775  -0.570  -7.419
    6    HB3  HIS   1           HB1      HIS   1 -13.351  -0.427  -8.183
    7    HD1  HIS   1           HD1      HIS   1  -9.798   0.530  -8.565
    8    HD2  HIS   1           HD2      HIS   1 -13.457   1.511 -10.286
    9    HE1  HIS   1           HE1      HIS   1  -9.249   1.725 -10.707
   10    HE2  HIS   1           HE2      HIS   1 -11.475   2.156 -11.812
   11    H    ILE   2           HN       ILE   2 -12.966   1.987  -4.325
   12    HA   ILE   2           HA       ILE   2 -10.181   2.864  -4.380
   13    HB   ILE   2           HB       ILE   2 -10.827   3.732  -2.008
   14   HG12  ILE   2          HG12      ILE   2 -13.302   4.439  -2.042
   15   HG13  ILE   2          HG11      ILE   2 -13.526   3.162  -3.237
   16   HG21  ILE   2          HG21      ILE   2 -11.670   5.809  -3.003
   17   HG22  ILE   2          HG22      ILE   2 -11.925   4.961  -4.529
   18   HG23  ILE   2          HG23      ILE   2 -10.293   5.151  -3.888
   19   HD11  ILE   2          HD11      ILE   2 -14.135   2.409  -1.017
   20   HD12  ILE   2          HD12      ILE   2 -12.524   2.807  -0.419
   21   HD13  ILE   2          HD13      ILE   2 -12.731   1.520  -1.607
   22    H    LEU   3           HN       LEU   3 -10.370   0.167  -4.467
   23    HA   LEU   3           HA       LEU   3 -10.165  -0.949  -1.806
   24    HB2  LEU   3           HB2      LEU   3  -9.759  -3.088  -3.037
   25    HB3  LEU   3           HB1      LEU   3 -11.281  -2.307  -3.404
   26    HG   LEU   3           HG       LEU   3 -10.089  -1.363  -5.484
   27   HD11  LEU   3          HD11      LEU   3  -8.238  -2.656  -6.339
   28   HD12  LEU   3          HD12      LEU   3  -8.231  -3.661  -4.891
   29   HD13  LEU   3          HD13      LEU   3  -7.800  -1.955  -4.780
   30   HD21  LEU   3          HD21      LEU   3 -10.661  -4.307  -5.217
   31   HD22  LEU   3          HD22      LEU   3 -10.543  -3.425  -6.740
   32   HD23  LEU   3          HD23      LEU   3 -11.827  -3.037  -5.593
   33    H    TYR   4           HN       TYR   4  -8.152   0.877  -3.456
   34    HA   TYR   4           HA       TYR   4  -5.955  -0.063  -4.437
   35    HB2  TYR   4           HB2      TYR   4  -6.009   2.025  -2.266
   36    HB3  TYR   4           HB1      TYR   4  -4.609   1.710  -3.288
   37    HD1  TYR   4           HD1      TYR   4  -5.212   1.642  -5.893
   38    HD2  TYR   4           HD2      TYR   4  -7.412   3.750  -2.922
   39    HE1  TYR   4           HE1      TYR   4  -6.133   3.111  -7.626
   40    HE2  TYR   4           HE2      TYR   4  -8.334   5.233  -4.652
   41    HH   TYR   4           HH       TYR   4  -7.634   6.013  -6.959
   42    H    ALA   5           HN       ALA   5  -5.261  -2.061  -3.973
   43    HA   ALA   5           HA       ALA   5  -4.350  -2.594  -1.240
   44    HB1  ALA   5           HB1      ALA   5  -4.674  -4.945  -1.710
   45    HB2  ALA   5           HB2      ALA   5  -5.126  -4.575  -3.375
   46    HB3  ALA   5           HB3      ALA   5  -6.155  -4.046  -2.042
   47    H    CYS   6           HN       CYS   6  -2.315  -2.755  -0.872
   48    HA   CYS   6           HA       CYS   6  -0.290  -2.871  -2.879
   49    HB2  CYS   6           HB2      CYS   6  -0.028  -1.797  -0.656
   50    HB3  CYS   6           HB1      CYS   6  -0.131  -3.388   0.096
   51    H    ASP   7           HN       ASP   7   0.018  -4.678  -4.040
   52    HA   ASP   7           HA       ASP   7  -1.122  -7.163  -3.231
   53    HB2  ASP   7           HB2      ASP   7  -0.993  -6.406  -5.604
   54    HB3  ASP   7           HB1      ASP   7   0.754  -6.606  -5.539
   55    H    SER   8           HN       SER   8   0.101  -9.212  -3.275
   56    HA   SER   8           HA       SER   8   1.752 -10.629  -2.689
   57    HB2  SER   8           HB2      SER   8   3.569  -8.226  -2.449
   58    HB3  SER   8           HB1      SER   8   4.062  -9.925  -2.516
   59    HG   SER   8           HG       SER   8   2.429  -9.145  -4.592
   60    H    CYS   9           HN       CYS   9   1.755  -7.657  -0.703
   61    HA   CYS   9           HA       CYS   9   2.070  -9.317   1.680
   62    HB2  CYS   9           HB2      CYS   9   1.606  -6.576   2.336
   63    HB3  CYS   9           HB1      CYS   9   3.102  -7.501   2.510
   64    H    GLY  10           HN       GLY  10  -0.324  -7.454  -0.025
   65    HA2  GLY  10           HA2      GLY  10  -2.630  -7.822   0.044
   66    HA3  GLY  10           HA1      GLY  10  -2.413  -8.756   1.516
   67    H    ASP  11           HN       ASP  11  -1.400  -5.438   0.755
   68    HA   ASP  11           HA       ASP  11  -2.736  -4.589   3.236
   69    HB2  ASP  11           HB2      ASP  11  -0.832  -2.866   1.688
   70    HB3  ASP  11           HB1      ASP  11  -1.169  -2.869   3.414
   71    H    LYS  12           HN       LYS  12  -4.805  -4.055   2.674
   72    HA   LYS  12           HA       LYS  12  -5.183  -2.554   0.189
   73    HB2  LYS  12           HB2      LYS  12  -7.639  -3.130   0.517
   74    HB3  LYS  12           HB1      LYS  12  -6.563  -4.449   0.093
   75    HG2  LYS  12           HG2      LYS  12  -7.218  -3.939   2.964
   76    HG3  LYS  12           HG1      LYS  12  -8.381  -4.763   1.927
   77    HD2  LYS  12           HD2      LYS  12  -5.544  -5.629   2.480
   78    HD3  LYS  12           HD1      LYS  12  -7.009  -6.392   3.086
   79    HE2  LYS  12           HE2      LYS  12  -6.161  -6.197   0.194
   80    HE3  LYS  12           HE1      LYS  12  -6.068  -7.635   1.208
   81    HZ1  LYS  12           HZ1      LYS  12  -8.523  -6.245   0.283
   82    HZ2  LYS  12           HZ2      LYS  12  -8.528  -7.476   1.447
   83    HZ3  LYS  12           HZ3      LYS  12  -7.998  -7.805  -0.128
   84    H    PHE  13           HN       PHE  13  -5.222  -0.478   0.390
   85    HA   PHE  13           HA       PHE  13  -6.202   0.733   2.877
   86    HB2  PHE  13           HB2      PHE  13  -4.479   1.835   0.649
   87    HB3  PHE  13           HB1      PHE  13  -5.052   2.787   2.026
   88    HD1  PHE  13           HD1      PHE  13  -4.142   2.456   4.231
   89    HD2  PHE  13           HD2      PHE  13  -2.767   0.148   0.934
   90    HE1  PHE  13           HE1      PHE  13  -2.192   1.744   5.551
   91    HE2  PHE  13           HE2      PHE  13  -0.814  -0.573   2.249
   92    HZ   PHE  13           HZ       PHE  13  -0.525   0.225   4.560
   93    H    LEU  14           HN       LEU  14  -7.526   2.586   2.793
   94    HA   LEU  14           HA       LEU  14  -9.433   2.599   0.579
   95    HB2  LEU  14           HB2      LEU  14  -9.408   3.897   3.305
   96    HB3  LEU  14           HB1      LEU  14 -10.615   4.282   2.099
   97    HG   LEU  14           HG       LEU  14 -11.347   1.908   2.120
   98   HD11  LEU  14          HD11      LEU  14 -10.634   0.469   3.974
   99   HD12  LEU  14          HD12      LEU  14  -9.429   1.672   4.438
  100   HD13  LEU  14          HD13      LEU  14  -9.298   0.843   2.886
  101   HD21  LEU  14          HD21      LEU  14 -12.478   3.601   3.451
  102   HD22  LEU  14          HD22      LEU  14 -11.355   3.317   4.782
  103   HD23  LEU  14          HD23      LEU  14 -12.471   2.045   4.285
  104    H    ASP  15           HN       ASP  15  -6.584   3.971   1.253
  105    HA   ASP  15           HA       ASP  15  -7.185   6.450  -0.215
  106    HB2  ASP  15           HB2      ASP  15  -6.784   6.986   2.154
  107    HB3  ASP  15           HB1      ASP  15  -5.262   6.103   2.104
  108    H    ALA  16           HN       ALA  16  -5.522   7.124  -1.672
  109    HA   ALA  16           HA       ALA  16  -4.119   4.756  -2.695
  110    HB1  ALA  16           HB1      ALA  16  -5.620   5.925  -4.234
  111    HB2  ALA  16           HB2      ALA  16  -3.946   6.009  -4.790
  112    HB3  ALA  16           HB3      ALA  16  -4.693   7.410  -4.017
  113    H    ASN  17           HN       ASN  17  -3.674   8.047  -1.720
  114    HA   ASN  17           HA       ASN  17  -0.988   8.435  -2.258
  115    HB2  ASN  17           HB2      ASN  17  -2.459  10.216  -1.569
  116    HB3  ASN  17           HB1      ASN  17  -2.756   9.430  -0.024
  117   HD21  ASN  17          HD21      ASN  17  -1.262   9.686   1.625
  118   HD22  ASN  17          HD22      ASN  17   0.108  10.741   1.506
  119    H    SER  18           HN       SER  18  -2.555   7.044   0.604
  120    HA   SER  18           HA       SER  18  -0.114   6.507   1.990
  121    HB2  SER  18           HB2      SER  18  -2.800   5.172   2.409
  122    HB3  SER  18           HB1      SER  18  -1.495   5.347   3.583
  123    HG   SER  18           HG       SER  18  -3.013   7.459   2.421
  124    H    LEU  19           HN       LEU  19  -2.102   4.733  -0.276
  125    HA   LEU  19           HA       LEU  19  -0.947   2.180   0.145
  126    HB2  LEU  19           HB2      LEU  19  -3.113   2.507  -0.939
  127    HB3  LEU  19           HB1      LEU  19  -2.343   3.359  -2.257
  128    HG   LEU  19           HG       LEU  19  -3.093   0.863  -2.505
  129   HD11  LEU  19          HD11      LEU  19  -0.456   1.850  -3.547
  130   HD12  LEU  19          HD12      LEU  19  -2.039   2.146  -4.262
  131   HD13  LEU  19          HD13      LEU  19  -1.391   0.508  -4.204
  132   HD21  LEU  19          HD21      LEU  19  -1.282  -0.728  -2.108
  133   HD22  LEU  19          HD22      LEU  19  -1.841  -0.001  -0.602
  134   HD23  LEU  19          HD23      LEU  19  -0.333   0.543  -1.338
  135    H    ALA  20           HN       ALA  20  -0.502   4.492  -2.515
  136    HA   ALA  20           HA       ALA  20   1.583   3.188  -3.806
  137    HB1  ALA  20           HB1      ALA  20   2.038   5.287  -4.918
  138    HB2  ALA  20           HB2      ALA  20   1.142   6.169  -3.681
  139    HB3  ALA  20           HB3      ALA  20   0.296   5.057  -4.759
  140    H    GLN  21           HN       GLN  21   1.777   5.498  -1.107
  141    HA   GLN  21           HA       GLN  21   4.644   5.599  -1.190
  142    HB2  GLN  21           HB2      GLN  21   4.535   6.941   0.745
  143    HB3  GLN  21           HB1      GLN  21   3.088   7.355  -0.165
  144    HG2  GLN  21           HG2      GLN  21   1.766   5.887   1.263
  145    HG3  GLN  21           HG1      GLN  21   3.218   5.463   2.172
  146   HE21  GLN  21          HE21      GLN  21   2.526   8.660   0.938
  147   HE22  GLN  21          HE22      GLN  21   2.278   9.421   2.486
  148    H    HIS  22           HN       HIS  22   2.284   3.505   0.182
  149    HA   HIS  22           HA       HIS  22   3.956   2.285   2.146
  150    HB2  HIS  22           HB2      HIS  22   1.635   2.045   2.524
  151    HB3  HIS  22           HB1      HIS  22   1.331   1.523   0.864
  152    HD1  HIS  22           HD1      HIS  22   2.391   0.227   4.219
  153    HD2  HIS  22           HD2      HIS  22   1.805  -1.151   0.338
  154    HE1  HIS  22           HE1      HIS  22   2.533  -2.292   4.331
  155    H    VAL  23           HN       VAL  23   3.078   1.540  -1.201
  156    HA   VAL  23           HA       VAL  23   4.583  -0.830  -1.422
  157    HB   VAL  23           HB       VAL  23   4.710   0.611  -3.899
  158   HG11  VAL  23          HG11      VAL  23   3.379  -1.251  -4.699
  159   HG12  VAL  23          HG12      VAL  23   3.000  -1.709  -3.040
  160   HG13  VAL  23          HG13      VAL  23   4.661  -1.828  -3.630
  161   HG21  VAL  23          HG21      VAL  23   2.285   0.844  -4.299
  162   HG22  VAL  23          HG22      VAL  23   2.902   1.987  -3.106
  163   HG23  VAL  23          HG23      VAL  23   2.008   0.556  -2.580
  164    H    ARG  24           HN       ARG  24   5.460   2.438  -1.160
  165    HA   ARG  24           HA       ARG  24   8.153   2.107  -2.143
  166    HB2  ARG  24           HB2      ARG  24   6.858   4.374  -0.638
  167    HB3  ARG  24           HB1      ARG  24   8.479   4.411  -1.333
  168    HG2  ARG  24           HG2      ARG  24   7.470   4.020  -3.573
  169    HG3  ARG  24           HG1      ARG  24   5.878   4.173  -2.829
  170    HD2  ARG  24           HD2      ARG  24   6.503   6.271  -3.837
  171    HD3  ARG  24           HD1      ARG  24   6.481   6.445  -2.083
  172    HE   ARG  24           HE       ARG  24   8.809   6.638  -2.079
  173   HH11  ARG  24          HH11      ARG  24   7.578   6.047  -5.313
  174   HH12  ARG  24          HH12      ARG  24   9.028   6.604  -6.096
  175   HH21  ARG  24          HH21      ARG  24  10.693   7.398  -3.110
  176   HH22  ARG  24          HH22      ARG  24  10.790   7.385  -4.848
  177    H    ILE  25           HN       ILE  25   6.527   2.439   1.038
  178    HA   ILE  25           HA       ILE  25   8.835   2.540   2.575
  179    HB   ILE  25           HB       ILE  25   7.601   1.884   4.500
  180   HG12  ILE  25          HG12      ILE  25   5.360   0.909   2.716
  181   HG13  ILE  25          HG11      ILE  25   6.578  -0.152   3.415
  182   HG21  ILE  25          HG21      ILE  25   5.782   3.372   2.616
  183   HG22  ILE  25          HG22      ILE  25   7.032   4.071   3.645
  184   HG23  ILE  25          HG23      ILE  25   5.614   3.315   4.370
  185   HD11  ILE  25          HD11      ILE  25   4.623   1.548   4.939
  186   HD12  ILE  25          HD12      ILE  25   5.854   0.507   5.654
  187   HD13  ILE  25          HD13      ILE  25   4.539  -0.200   4.712
  188    H    HIS  26           HN       HIS  26   7.613  -0.070   0.773
  189    HA   HIS  26           HA       HIS  26   8.733  -2.204   2.279
  190    HB2  HIS  26           HB2      HIS  26   7.736  -1.988  -0.550
  191    HB3  HIS  26           HB1      HIS  26   8.461  -3.475   0.065
  192    HD1  HIS  26           HD1      HIS  26   7.278  -4.029   2.657
  193    HD2  HIS  26           HD2      HIS  26   5.049  -2.100  -0.309
  194    HE1  HIS  26           HE1      HIS  26   4.830  -4.364   3.253
  195    H    THR  27           HN       THR  27  10.332   0.232   0.854
  196    HA   THR  27           HA       THR  27  12.599  -1.262  -0.122
  197    HB   THR  27           HB       THR  27  12.043   1.053  -0.920
  198    HG1  THR  27           HG1      THR  27  14.403  -0.014  -0.439
  199   HG21  THR  27          HG21      THR  27  12.752   2.958   0.475
  200   HG22  THR  27          HG22      THR  27  13.038   1.852   1.818
  201   HG23  THR  27          HG23      THR  27  11.405   2.072   1.191
  202    H    ALA  28           HN       ALA  28  11.304  -0.598   2.873
  203    HA   ALA  28           HA       ALA  28  13.824  -1.345   4.173
  204    HB1  ALA  28           HB1      ALA  28  11.949   0.762   5.240
  205    HB2  ALA  28           HB2      ALA  28  13.504   1.079   4.469
  206    HB3  ALA  28           HB3      ALA  28  13.440   0.199   5.996
  207    H    GLN  29           HN       GLN  29  10.330  -1.337   4.139
  208    HA   GLN  29           HA       GLN  29  10.262  -3.160   6.425
  209    HB2  GLN  29           HB2      GLN  29   7.969  -1.828   4.968
  210    HB3  GLN  29           HB1      GLN  29   7.851  -2.761   6.456
  211    HG2  GLN  29           HG2      GLN  29   9.283  -0.139   6.087
  212    HG3  GLN  29           HG1      GLN  29   7.765  -0.399   6.945
  213   HE21  GLN  29          HE21      GLN  29  10.359   0.689   7.841
  214   HE22  GLN  29          HE22      GLN  29  10.814  -0.277   9.202
  Start of MODEL    8
    1    H1   HIS   1           HT1      HIS   1 -14.682  -3.302  -0.752
    2    H2   HIS   1           HT2      HIS   1 -15.119  -1.718  -1.171
    3    H3   HIS   1           HT3      HIS   1 -16.263  -2.749  -0.470
    4    HA   HIS   1           HA       HIS   1 -15.565  -1.245   1.189
    5    HB2  HIS   1           HB2      HIS   1 -14.335  -3.983   1.496
    6    HB3  HIS   1           HB1      HIS   1 -14.393  -2.813   2.808
    7    HD1  HIS   1           HD1      HIS   1 -16.593  -2.541   4.048
    8    HD2  HIS   1           HD2      HIS   1 -16.876  -5.017   0.715
    9    HE1  HIS   1           HE1      HIS   1 -18.854  -3.625   4.189
   10    HE2  HIS   1           HE2      HIS   1 -19.078  -4.947   2.063
   11    H    ILE   2           HN       ILE   2 -12.992  -2.346  -0.832
   12    HA   ILE   2           HA       ILE   2 -11.274  -0.271   0.335
   13    HB   ILE   2           HB       ILE   2  -9.257  -1.661   0.003
   14   HG12  ILE   2          HG12      ILE   2 -10.419  -3.265  -1.634
   15   HG13  ILE   2          HG11      ILE   2  -9.293  -3.969  -0.478
   16   HG21  ILE   2          HG21      ILE   2 -10.138  -1.454   2.214
   17   HG22  ILE   2          HG22      ILE   2  -9.588  -3.116   1.989
   18   HG23  ILE   2          HG23      ILE   2 -11.312  -2.738   1.922
   19   HD11  ILE   2          HD11      ILE   2 -11.190  -4.659   0.915
   20   HD12  ILE   2          HD12      ILE   2 -11.263  -5.349  -0.706
   21   HD13  ILE   2          HD13      ILE   2 -12.299  -3.986  -0.278
   22    H    LEU   3           HN       LEU   3  -9.921   0.773  -1.112
   23    HA   LEU   3           HA       LEU   3 -10.885   0.648  -3.857
   24    HB2  LEU   3           HB2      LEU   3 -10.448   2.757  -2.244
   25    HB3  LEU   3           HB1      LEU   3  -8.880   2.673  -3.020
   26    HG   LEU   3           HG       LEU   3 -11.534   2.996  -4.435
   27   HD11  LEU   3          HD11      LEU   3 -10.805   5.243  -4.905
   28   HD12  LEU   3          HD12      LEU   3  -9.278   4.958  -4.075
   29   HD13  LEU   3          HD13      LEU   3 -10.787   4.971  -3.164
   30   HD21  LEU   3          HD21      LEU   3  -9.946   1.753  -5.812
   31   HD22  LEU   3          HD22      LEU   3  -8.728   2.998  -5.548
   32   HD23  LEU   3          HD23      LEU   3 -10.194   3.378  -6.449
   33    H    TYR   4           HN       TYR   4  -7.695   0.972  -2.267
   34    HA   TYR   4           HA       TYR   4  -6.523  -0.375  -4.610
   35    HB2  TYR   4           HB2      TYR   4  -5.337   1.678  -2.741
   36    HB3  TYR   4           HB1      TYR   4  -4.395   0.770  -3.922
   37    HD1  TYR   4           HD1      TYR   4  -5.238   0.884  -6.369
   38    HD2  TYR   4           HD2      TYR   4  -6.275   3.711  -3.376
   39    HE1  TYR   4           HE1      TYR   4  -5.796   2.508  -8.114
   40    HE2  TYR   4           HE2      TYR   4  -6.834   5.355  -5.116
   41    HH   TYR   4           HH       TYR   4  -7.177   4.526  -8.393
   42    H    ALA   5           HN       ALA   5  -4.660  -1.752  -4.191
   43    HA   ALA   5           HA       ALA   5  -4.462  -2.758  -1.458
   44    HB1  ALA   5           HB1      ALA   5  -4.854  -5.057  -2.086
   45    HB2  ALA   5           HB2      ALA   5  -5.116  -4.583  -3.765
   46    HB3  ALA   5           HB3      ALA   5  -6.252  -4.072  -2.518
   47    H    CYS   6           HN       CYS   6  -2.425  -2.869  -0.968
   48    HA   CYS   6           HA       CYS   6  -0.302  -3.087  -2.876
   49    HB2  CYS   6           HB2      CYS   6  -0.117  -1.914  -0.680
   50    HB3  CYS   6           HB1      CYS   6  -0.223  -3.485   0.118
   51    H    ASP   7           HN       ASP   7  -0.134  -4.963  -3.967
   52    HA   ASP   7           HA       ASP   7  -1.146  -7.421  -2.951
   53    HB2  ASP   7           HB2      ASP   7  -1.136  -6.791  -5.372
   54    HB3  ASP   7           HB1      ASP   7   0.612  -6.994  -5.379
   55    H    SER   8           HN       SER   8   0.223  -9.449  -3.089
   56    HA   SER   8           HA       SER   8   1.985 -10.739  -2.481
   57    HB2  SER   8           HB2      SER   8   3.460  -9.105  -3.655
   58    HB3  SER   8           HB1      SER   8   3.596  -8.194  -2.149
   59    HG   SER   8           HG       SER   8   5.225  -9.980  -2.830
   60    H    CYS   9           HN       CYS   9   1.813  -7.752  -0.525
   61    HA   CYS   9           HA       CYS   9   2.097  -9.368   1.892
   62    HB2  CYS   9           HB2      CYS   9   1.626  -6.624   2.497
   63    HB3  CYS   9           HB1      CYS   9   3.138  -7.530   2.659
   64    H    GLY  10           HN       GLY  10  -0.272  -7.549   0.095
   65    HA2  GLY  10           HA2      GLY  10  -2.566  -8.008   0.094
   66    HA3  GLY  10           HA1      GLY  10  -2.370  -8.880   1.607
   67    H    ASP  11           HN       ASP  11  -1.463  -5.556   0.743
   68    HA   ASP  11           HA       ASP  11  -2.786  -4.702   3.220
   69    HB2  ASP  11           HB2      ASP  11  -0.947  -3.011   1.537
   70    HB3  ASP  11           HB1      ASP  11  -1.317  -2.857   3.250
   71    H    LYS  12           HN       LYS  12  -4.894  -4.244   2.764
   72    HA   LYS  12           HA       LYS  12  -5.599  -2.881   0.286
   73    HB2  LYS  12           HB2      LYS  12  -7.417  -3.682   2.566
   74    HB3  LYS  12           HB1      LYS  12  -7.908  -3.198   0.953
   75    HG2  LYS  12           HG2      LYS  12  -8.147  -5.485   0.877
   76    HG3  LYS  12           HG1      LYS  12  -6.536  -5.264   0.191
   77    HD2  LYS  12           HD2      LYS  12  -5.489  -5.890   2.228
   78    HD3  LYS  12           HD1      LYS  12  -7.017  -5.831   3.109
   79    HE2  LYS  12           HE2      LYS  12  -6.450  -8.128   2.709
   80    HE3  LYS  12           HE1      LYS  12  -7.839  -7.703   1.710
   81    HZ1  LYS  12           HZ1      LYS  12  -6.447  -7.552  -0.203
   82    HZ2  LYS  12           HZ2      LYS  12  -6.134  -9.035   0.555
   83    HZ3  LYS  12           HZ3      LYS  12  -5.044  -7.755   0.723
   84    H    PHE  13           HN       PHE  13  -5.435  -0.728   0.203
   85    HA   PHE  13           HA       PHE  13  -5.811   0.807   2.679
   86    HB2  PHE  13           HB2      PHE  13  -4.280   1.366   0.159
   87    HB3  PHE  13           HB1      PHE  13  -4.744   2.677   1.251
   88    HD1  PHE  13           HD1      PHE  13  -3.612   3.037   3.281
   89    HD2  PHE  13           HD2      PHE  13  -2.803  -0.448   0.984
   90    HE1  PHE  13           HE1      PHE  13  -1.669   2.559   4.709
   91    HE2  PHE  13           HE2      PHE  13  -0.851  -0.932   2.403
   92    HZ   PHE  13           HZ       PHE  13  -0.283   0.572   4.270
   93    H    LEU  14           HN       LEU  14  -7.133   2.584   2.777
   94    HA   LEU  14           HA       LEU  14  -9.287   2.679   0.801
   95    HB2  LEU  14           HB2      LEU  14  -8.932   3.977   3.503
   96    HB3  LEU  14           HB1      LEU  14 -10.282   4.335   2.450
   97    HG   LEU  14           HG       LEU  14 -11.091   2.793   4.030
   98   HD11  LEU  14          HD11      LEU  14 -11.808   2.311   1.775
   99   HD12  LEU  14          HD12      LEU  14 -11.644   0.818   2.701
  100   HD13  LEU  14          HD13      LEU  14 -10.405   1.268   1.530
  101   HD21  LEU  14          HD21      LEU  14  -8.684   1.070   3.462
  102   HD22  LEU  14          HD22      LEU  14 -10.025   0.646   4.528
  103   HD23  LEU  14          HD23      LEU  14  -8.976   2.006   4.929
  104    H    ASP  15           HN       ASP  15  -6.361   4.085   1.279
  105    HA   ASP  15           HA       ASP  15  -7.114   6.537  -0.167
  106    HB2  ASP  15           HB2      ASP  15  -6.536   7.111   2.138
  107    HB3  ASP  15           HB1      ASP  15  -5.031   6.209   2.012
  108    H    ALA  16           HN       ALA  16  -5.385   7.360  -1.588
  109    HA   ALA  16           HA       ALA  16  -4.166   5.036  -2.910
  110    HB1  ALA  16           HB1      ALA  16  -4.532   7.865  -3.908
  111    HB2  ALA  16           HB2      ALA  16  -5.605   6.511  -4.256
  112    HB3  ALA  16           HB3      ALA  16  -3.946   6.499  -4.852
  113    H    ASN  17           HN       ASN  17  -3.479   8.215  -1.725
  114    HA   ASN  17           HA       ASN  17  -0.758   8.400  -2.222
  115    HB2  ASN  17           HB2      ASN  17  -2.119  10.272  -1.510
  116    HB3  ASN  17           HB1      ASN  17  -2.464   9.478   0.022
  117   HD21  ASN  17          HD21      ASN  17  -0.115  11.207  -1.859
  118   HD22  ASN  17          HD22      ASN  17   0.997  11.526  -0.574
  119    H    SER  18           HN       SER  18  -2.510   7.080   0.560
  120    HA   SER  18           HA       SER  18  -0.192   6.351   2.038
  121    HB2  SER  18           HB2      SER  18  -2.972   5.178   2.251
  122    HB3  SER  18           HB1      SER  18  -1.713   5.152   3.486
  123    HG   SER  18           HG       SER  18  -2.840   7.537   2.421
  124    H    LEU  19           HN       LEU  19  -2.057   4.765  -0.446
  125    HA   LEU  19           HA       LEU  19  -1.006   2.147  -0.004
  126    HB2  LEU  19           HB2      LEU  19  -3.124   2.616  -1.217
  127    HB3  LEU  19           HB1      LEU  19  -2.194   3.345  -2.507
  128    HG   LEU  19           HG       LEU  19  -3.074   0.922  -2.756
  129   HD11  LEU  19          HD11      LEU  19  -1.204   0.304  -4.167
  130   HD12  LEU  19          HD12      LEU  19  -0.220   1.564  -3.428
  131   HD13  LEU  19          HD13      LEU  19  -1.634   1.997  -4.387
  132   HD21  LEU  19          HD21      LEU  19  -0.590   0.449  -1.127
  133   HD22  LEU  19          HD22      LEU  19  -1.461  -0.789  -2.032
  134   HD23  LEU  19          HD23      LEU  19  -2.244   0.027  -0.679
  135    H    ALA  20           HN       ALA  20  -0.438   4.519  -2.582
  136    HA   ALA  20           HA       ALA  20   1.770   3.293  -3.742
  137    HB1  ALA  20           HB1      ALA  20   2.261   5.433  -4.765
  138    HB2  ALA  20           HB2      ALA  20   1.243   6.262  -3.587
  139    HB3  ALA  20           HB3      ALA  20   0.521   5.156  -4.754
  140    H    GLN  21           HN       GLN  21   1.706   5.596  -1.008
  141    HA   GLN  21           HA       GLN  21   4.531   5.790  -0.806
  142    HB2  GLN  21           HB2      GLN  21   4.212   6.939   1.205
  143    HB3  GLN  21           HB1      GLN  21   2.741   7.291   0.308
  144    HG2  GLN  21           HG2      GLN  21   1.544   5.587   1.559
  145    HG3  GLN  21           HG1      GLN  21   3.025   5.172   2.427
  146   HE21  GLN  21          HE21      GLN  21   2.090   5.632   4.411
  147   HE22  GLN  21          HE22      GLN  21   1.763   7.259   4.932
  148    H    HIS  22           HN       HIS  22   2.203   3.473   0.224
  149    HA   HIS  22           HA       HIS  22   3.849   2.191   2.175
  150    HB2  HIS  22           HB2      HIS  22   1.502   1.973   2.467
  151    HB3  HIS  22           HB1      HIS  22   1.269   1.427   0.806
  152    HD1  HIS  22           HD1      HIS  22   2.340   0.171   4.197
  153    HD2  HIS  22           HD2      HIS  22   1.732  -1.230   0.328
  154    HE1  HIS  22           HE1      HIS  22   2.447  -2.347   4.329
  155    H    VAL  23           HN       VAL  23   3.062   1.600  -1.235
  156    HA   VAL  23           HA       VAL  23   4.685  -0.722  -1.424
  157    HB   VAL  23           HB       VAL  23   4.750   0.482  -3.962
  158   HG11  VAL  23          HG11      VAL  23   4.450  -1.904  -3.434
  159   HG12  VAL  23          HG12      VAL  23   3.229  -1.313  -4.561
  160   HG13  VAL  23          HG13      VAL  23   2.816  -1.552  -2.863
  161   HG21  VAL  23          HG21      VAL  23   2.045   0.793  -2.691
  162   HG22  VAL  23          HG22      VAL  23   2.419   0.999  -4.404
  163   HG23  VAL  23          HG23      VAL  23   3.104   2.104  -3.217
  164    H    ARG  24           HN       ARG  24   5.336   2.626  -1.241
  165    HA   ARG  24           HA       ARG  24   8.053   2.440  -2.158
  166    HB2  ARG  24           HB2      ARG  24   6.661   4.577  -0.550
  167    HB3  ARG  24           HB1      ARG  24   8.301   4.701  -1.175
  168    HG2  ARG  24           HG2      ARG  24   7.273   4.297  -3.482
  169    HG3  ARG  24           HG1      ARG  24   5.728   4.654  -2.709
  170    HD2  ARG  24           HD2      ARG  24   8.116   6.487  -2.639
  171    HD3  ARG  24           HD1      ARG  24   6.830   6.601  -3.835
  172    HE   ARG  24           HE       ARG  24   5.317   7.233  -2.091
  173   HH11  ARG  24          HH11      ARG  24   8.681   7.069  -1.133
  174   HH12  ARG  24          HH12      ARG  24   8.486   8.146   0.221
  175   HH21  ARG  24          HH21      ARG  24   5.067   8.692  -0.332
  176   HH22  ARG  24          HH22      ARG  24   6.440   9.059   0.670
  177    H    ILE  25           HN       ILE  25   6.387   2.422   1.010
  178    HA   ILE  25           HA       ILE  25   8.747   2.514   2.515
  179    HB   ILE  25           HB       ILE  25   7.556   1.790   4.445
  180   HG12  ILE  25          HG12      ILE  25   5.237   0.971   2.689
  181   HG13  ILE  25          HG11      ILE  25   6.448  -0.157   3.285
  182   HG21  ILE  25          HG21      ILE  25   7.033   4.037   3.676
  183   HG22  ILE  25          HG22      ILE  25   5.644   3.296   4.473
  184   HG23  ILE  25          HG23      ILE  25   5.695   3.404   2.714
  185   HD11  ILE  25          HD11      ILE  25   4.462  -0.235   4.656
  186   HD12  ILE  25          HD12      ILE  25   4.585   1.499   4.967
  187   HD13  ILE  25          HD13      ILE  25   5.820   0.403   5.586
  188    H    HIS  26           HN       HIS  26   7.520   0.027   0.589
  189    HA   HIS  26           HA       HIS  26   8.834  -2.128   1.980
  190    HB2  HIS  26           HB2      HIS  26   7.525  -1.944  -0.739
  191    HB3  HIS  26           HB1      HIS  26   8.322  -3.403  -0.166
  192    HD1  HIS  26           HD1      HIS  26   7.297  -4.039   2.466
  193    HD2  HIS  26           HD2      HIS  26   4.874  -2.063  -0.304
  194    HE1  HIS  26           HE1      HIS  26   4.897  -4.401   3.210
  195    H    THR  27           HN       THR  27   9.488  -0.039  -0.771
  196    HA   THR  27           HA       THR  27  11.930  -1.384  -1.477
  197    HB   THR  27           HB       THR  27  11.071   1.370  -2.372
  198    HG1  THR  27           HG1      THR  27   9.488   0.457  -3.430
  199   HG21  THR  27          HG21      THR  27  13.353   0.694  -2.959
  200   HG22  THR  27          HG22      THR  27  12.329   0.812  -4.389
  201   HG23  THR  27          HG23      THR  27  12.726  -0.770  -3.717
  202    H    ALA  28           HN       ALA  28  11.111   1.772  -0.032
  203    HA   ALA  28           HA       ALA  28  13.892   1.952   0.935
  204    HB1  ALA  28           HB1      ALA  28  13.544   3.494  -0.932
  205    HB2  ALA  28           HB2      ALA  28  13.821   4.369   0.573
  206    HB3  ALA  28           HB3      ALA  28  12.187   4.230  -0.079
  207    H    GLN  29           HN       GLN  29  14.162   3.309   2.845
  208    HA   GLN  29           HA       GLN  29  11.858   2.967   4.628
  209    HB2  GLN  29           HB2      GLN  29  13.545   3.184   6.473
  210    HB3  GLN  29           HB1      GLN  29  13.754   1.771   5.452
  211    HG2  GLN  29           HG2      GLN  29  15.559   2.910   4.252
  212    HG3  GLN  29           HG1      GLN  29  15.346   4.321   5.290
  213   HE21  GLN  29          HE21      GLN  29  17.679   2.590   4.910
  214   HE22  GLN  29          HE22      GLN  29  18.068   1.975   6.480
  Start of MODEL    9
    1    H1   HIS   1           HT1      HIS   1 -15.356  -3.996   0.161
    2    H2   HIS   1           HT2      HIS   1 -15.295  -2.731   1.288
    3    H3   HIS   1           HT3      HIS   1 -13.908  -3.653   0.979
    4    HA   HIS   1           HA       HIS   1 -14.018  -2.866  -1.371
    5    HB2  HIS   1           HB2      HIS   1 -16.055  -1.042  -0.094
    6    HB3  HIS   1           HB1      HIS   1 -15.213  -0.621  -1.577
    7    HD1  HIS   1           HD1      HIS   1 -16.024  -1.655  -3.728
    8    HD2  HIS   1           HD2      HIS   1 -17.927  -3.182  -0.355
    9    HE1  HIS   1           HE1      HIS   1 -17.945  -3.034  -4.595
   10    HE2  HIS   1           HE2      HIS   1 -19.158  -3.847  -2.536
   11    H    ILE   2           HN       ILE   2 -12.122  -1.942  -1.600
   12    HA   ILE   2           HA       ILE   2 -11.408   0.267   0.194
   13    HB   ILE   2           HB       ILE   2  -9.028  -0.418   0.118
   14   HG12  ILE   2          HG12      ILE   2  -9.369  -1.918  -1.944
   15   HG13  ILE   2          HG11      ILE   2  -8.280  -2.500  -0.681
   16   HG21  ILE   2          HG21      ILE   2  -9.198  -2.192   1.791
   17   HG22  ILE   2          HG22      ILE   2 -10.890  -2.438   1.353
   18   HG23  ILE   2          HG23      ILE   2 -10.375  -0.907   2.066
   19   HD11  ILE   2          HD11      ILE   2 -11.139  -3.368  -1.085
   20   HD12  ILE   2          HD12      ILE   2 -10.039  -3.967   0.155
   21   HD13  ILE   2          HD13      ILE   2  -9.702  -4.279  -1.547
   22    H    LEU   3           HN       LEU   3  -9.456   1.514  -0.794
   23    HA   LEU   3           HA       LEU   3 -10.347   2.272  -3.441
   24    HB2  LEU   3           HB2      LEU   3  -9.513   3.773  -1.427
   25    HB3  LEU   3           HB1      LEU   3  -7.936   3.457  -2.123
   26    HG   LEU   3           HG       LEU   3 -10.239   4.737  -3.605
   27   HD11  LEU   3          HD11      LEU   3  -9.472   6.179  -1.827
   28   HD12  LEU   3          HD12      LEU   3  -8.948   6.808  -3.391
   29   HD13  LEU   3          HD13      LEU   3  -7.798   5.971  -2.345
   30   HD21  LEU   3          HD21      LEU   3  -8.573   5.297  -5.281
   31   HD22  LEU   3          HD22      LEU   3  -8.661   3.550  -5.057
   32   HD23  LEU   3          HD23      LEU   3  -7.330   4.464  -4.350
   33    H    TYR   4           HN       TYR   4  -7.220   1.380  -2.001
   34    HA   TYR   4           HA       TYR   4  -6.560  -0.046  -4.462
   35    HB2  TYR   4           HB2      TYR   4  -5.141   2.305  -3.387
   36    HB3  TYR   4           HB1      TYR   4  -4.110   0.942  -3.818
   37    HD1  TYR   4           HD1      TYR   4  -4.678  -0.121  -6.205
   38    HD2  TYR   4           HD2      TYR   4  -5.612   3.853  -5.011
   39    HE1  TYR   4           HE1      TYR   4  -4.785   0.559  -8.569
   40    HE2  TYR   4           HE2      TYR   4  -5.724   4.544  -7.366
   41    HH   TYR   4           HH       TYR   4  -4.856   3.820  -9.543
   42    H    ALA   5           HN       ALA   5  -4.806  -1.598  -4.167
   43    HA   ALA   5           HA       ALA   5  -4.439  -2.378  -1.374
   44    HB1  ALA   5           HB1      ALA   5  -4.924  -4.697  -1.865
   45    HB2  ALA   5           HB2      ALA   5  -5.189  -4.312  -3.566
   46    HB3  ALA   5           HB3      ALA   5  -6.301  -3.699  -2.340
   47    H    CYS   6           HN       CYS   6  -2.489  -3.051  -0.856
   48    HA   CYS   6           HA       CYS   6  -0.395  -2.963  -2.849
   49    HB2  CYS   6           HB2      CYS   6  -0.169  -1.946  -0.580
   50    HB3  CYS   6           HB1      CYS   6  -0.232  -3.570   0.105
   51    H    ASP   7           HN       ASP   7  -0.192  -4.706  -4.067
   52    HA   ASP   7           HA       ASP   7  -1.246  -7.241  -3.343
   53    HB2  ASP   7           HB2      ASP   7  -1.213  -6.344  -5.656
   54    HB3  ASP   7           HB1      ASP   7   0.540  -6.494  -5.670
   55    H    SER   8           HN       SER   8   0.028  -9.254  -3.591
   56    HA   SER   8           HA       SER   8   1.664 -10.697  -3.025
   57    HB2  SER   8           HB2      SER   8   3.468  -8.281  -2.751
   58    HB3  SER   8           HB1      SER   8   3.988  -9.971  -2.774
   59    HG   SER   8           HG       SER   8   2.680  -9.906  -4.902
   60    H    CYS   9           HN       CYS   9   1.686  -7.789  -0.918
   61    HA   CYS   9           HA       CYS   9   2.071  -9.522   1.394
   62    HB2  CYS   9           HB2      CYS   9   1.479  -6.808   2.147
   63    HB3  CYS   9           HB1      CYS   9   2.992  -7.703   2.323
   64    H    GLY  10           HN       GLY  10  -0.410  -7.413   0.003
   65    HA2  GLY  10           HA2      GLY  10  -2.707  -8.078   0.013
   66    HA3  GLY  10           HA1      GLY  10  -2.407  -8.976   1.493
   67    H    ASP  11           HN       ASP  11  -1.450  -5.650   0.813
   68    HA   ASP  11           HA       ASP  11  -2.709  -4.847   3.313
   69    HB2  ASP  11           HB2      ASP  11  -1.135  -3.086   1.436
   70    HB3  ASP  11           HB1      ASP  11  -1.394  -2.869   3.162
   71    H    LYS  12           HN       LYS  12  -4.590  -3.707   3.442
   72    HA   LYS  12           HA       LYS  12  -5.838  -2.951   0.876
   73    HB2  LYS  12           HB2      LYS  12  -7.253  -3.553   3.475
   74    HB3  LYS  12           HB1      LYS  12  -7.976  -3.377   1.884
   75    HG2  LYS  12           HG2      LYS  12  -6.124  -5.591   2.744
   76    HG3  LYS  12           HG1      LYS  12  -7.873  -5.712   2.569
   77    HD2  LYS  12           HD2      LYS  12  -7.644  -5.187   0.173
   78    HD3  LYS  12           HD1      LYS  12  -5.890  -5.132   0.372
   79    HE2  LYS  12           HE2      LYS  12  -5.860  -7.460   1.047
   80    HE3  LYS  12           HE1      LYS  12  -7.620  -7.531   0.964
   81    HZ1  LYS  12           HZ1      LYS  12  -5.747  -7.141  -1.312
   82    HZ2  LYS  12           HZ2      LYS  12  -7.434  -7.020  -1.434
   83    HZ3  LYS  12           HZ3      LYS  12  -6.718  -8.498  -1.006
   84    H    PHE  13           HN       PHE  13  -5.513  -0.806   0.587
   85    HA   PHE  13           HA       PHE  13  -5.825   0.976   2.897
   86    HB2  PHE  13           HB2      PHE  13  -4.466   1.365   0.234
   87    HB3  PHE  13           HB1      PHE  13  -4.746   2.685   1.376
   88    HD1  PHE  13           HD1      PHE  13  -3.516   2.824   3.440
   89    HD2  PHE  13           HD2      PHE  13  -2.876  -0.381   0.720
   90    HE1  PHE  13           HE1      PHE  13  -1.432   2.252   4.612
   91    HE2  PHE  13           HE2      PHE  13  -0.795  -0.968   1.891
   92    HZ   PHE  13           HZ       PHE  13  -0.106   0.323   3.890
   93    H    LEU  14           HN       LEU  14  -7.277   2.580   2.982
   94    HA   LEU  14           HA       LEU  14  -9.326   2.707   0.908
   95    HB2  LEU  14           HB2      LEU  14  -9.141   4.020   3.620
   96    HB3  LEU  14           HB1      LEU  14 -10.510   4.160   2.533
   97    HG   LEU  14           HG       LEU  14  -9.551   1.556   3.721
   98   HD11  LEU  14          HD11      LEU  14 -10.370   3.041   5.467
   99   HD12  LEU  14          HD12      LEU  14 -11.500   1.717   5.184
  100   HD13  LEU  14          HD13      LEU  14 -11.845   3.325   4.547
  101   HD21  LEU  14          HD21      LEU  14 -10.739   1.323   1.601
  102   HD22  LEU  14          HD22      LEU  14 -12.077   2.277   2.242
  103   HD23  LEU  14          HD23      LEU  14 -11.700   0.705   2.946
  104    H    ASP  15           HN       ASP  15  -6.531   3.765   0.702
  105    HA   ASP  15           HA       ASP  15  -7.188   6.376  -0.379
  106    HB2  ASP  15           HB2      ASP  15  -6.524   6.716   2.047
  107    HB3  ASP  15           HB1      ASP  15  -4.937   6.080   1.628
  108    H    ALA  16           HN       ALA  16  -5.452   7.144  -1.831
  109    HA   ALA  16           HA       ALA  16  -4.216   4.791  -3.078
  110    HB1  ALA  16           HB1      ALA  16  -5.685   6.184  -4.477
  111    HB2  ALA  16           HB2      ALA  16  -4.029   6.158  -5.077
  112    HB3  ALA  16           HB3      ALA  16  -4.625   7.565  -4.196
  113    H    ASN  17           HN       ASN  17  -3.573   8.061  -2.061
  114    HA   ASN  17           HA       ASN  17  -0.845   8.245  -2.522
  115    HB2  ASN  17           HB2      ASN  17  -2.240  10.132  -1.927
  116    HB3  ASN  17           HB1      ASN  17  -2.595   9.419  -0.358
  117   HD21  ASN  17          HD21      ASN  17  -0.312  11.171  -2.270
  118   HD22  ASN  17          HD22      ASN  17   0.791  11.545  -0.988
  119    H    SER  18           HN       SER  18  -2.593   7.054   0.336
  120    HA   SER  18           HA       SER  18  -0.263   6.440   1.850
  121    HB2  SER  18           HB2      SER  18  -3.056   5.287   2.089
  122    HB3  SER  18           HB1      SER  18  -1.793   5.197   3.315
  123    HG   SER  18           HG       SER  18  -3.056   6.902   3.872
  124    H    LEU  19           HN       LEU  19  -1.888   4.824  -0.714
  125    HA   LEU  19           HA       LEU  19  -0.895   2.196  -0.087
  126    HB2  LEU  19           HB2      LEU  19  -2.989   2.545  -1.331
  127    HB3  LEU  19           HB1      LEU  19  -2.095   3.321  -2.615
  128    HG   LEU  19           HG       LEU  19  -2.875   0.864  -2.869
  129   HD11  LEU  19          HD11      LEU  19  -1.522   2.035  -4.507
  130   HD12  LEU  19          HD12      LEU  19  -1.017   0.356  -4.328
  131   HD13  LEU  19          HD13      LEU  19  -0.069   1.645  -3.586
  132   HD21  LEU  19          HD21      LEU  19  -0.305   0.462  -1.357
  133   HD22  LEU  19          HD22      LEU  19  -1.245  -0.793  -2.165
  134   HD23  LEU  19          HD23      LEU  19  -1.921   0.054  -0.774
  135    H    ALA  20           HN       ALA  20  -0.278   4.504  -2.715
  136    HA   ALA  20           HA       ALA  20   1.990   3.303  -3.783
  137    HB1  ALA  20           HB1      ALA  20   2.510   5.451  -4.775
  138    HB2  ALA  20           HB2      ALA  20   1.447   6.272  -3.632
  139    HB3  ALA  20           HB3      ALA  20   0.770   5.172  -4.833
  140    H    GLN  21           HN       GLN  21   1.781   5.602  -1.058
  141    HA   GLN  21           HA       GLN  21   4.606   5.783  -0.731
  142    HB2  GLN  21           HB2      GLN  21   4.196   7.052   1.166
  143    HB3  GLN  21           HB1      GLN  21   2.750   7.334   0.205
  144    HG2  GLN  21           HG2      GLN  21   1.510   5.743   1.513
  145    HG3  GLN  21           HG1      GLN  21   2.969   5.302   2.413
  146   HE21  GLN  21          HE21      GLN  21   2.051   5.858   4.373
  147   HE22  GLN  21          HE22      GLN  21   1.779   7.516   4.843
  148    H    HIS  22           HN       HIS  22   2.248   3.461   0.176
  149    HA   HIS  22           HA       HIS  22   3.801   2.223   2.240
  150    HB2  HIS  22           HB2      HIS  22   1.443   1.914   2.372
  151    HB3  HIS  22           HB1      HIS  22   1.349   1.373   0.694
  152    HD1  HIS  22           HD1      HIS  22   2.373   0.160   4.131
  153    HD2  HIS  22           HD2      HIS  22   1.845  -1.267   0.260
  154    HE1  HIS  22           HE1      HIS  22   2.565  -2.360   4.270
  155    H    VAL  23           HN       VAL  23   3.222   1.648  -1.215
  156    HA   VAL  23           HA       VAL  23   4.988  -0.577  -1.337
  157    HB   VAL  23           HB       VAL  23   5.109   0.607  -3.867
  158   HG11  VAL  23          HG11      VAL  23   3.168  -1.458  -2.843
  159   HG12  VAL  23          HG12      VAL  23   4.839  -1.780  -3.319
  160   HG13  VAL  23          HG13      VAL  23   3.667  -1.234  -4.518
  161   HG21  VAL  23          HG21      VAL  23   2.337   0.863  -2.731
  162   HG22  VAL  23          HG22      VAL  23   2.792   1.067  -4.426
  163   HG23  VAL  23          HG23      VAL  23   3.391   2.196  -3.214
  164    H    ARG  24           HN       ARG  24   5.434   2.811  -1.090
  165    HA   ARG  24           HA       ARG  24   8.173   2.921  -1.873
  166    HB2  ARG  24           HB2      ARG  24   6.699   4.626   0.148
  167    HB3  ARG  24           HB1      ARG  24   8.283   4.981  -0.524
  168    HG2  ARG  24           HG2      ARG  24   5.769   4.782  -2.159
  169    HG3  ARG  24           HG1      ARG  24   6.418   6.290  -1.518
  170    HD2  ARG  24           HD2      ARG  24   7.139   6.146  -3.764
  171    HD3  ARG  24           HD1      ARG  24   8.544   5.773  -2.770
  172    HE   ARG  24           HE       ARG  24   7.058   3.467  -3.641
  173   HH11  ARG  24          HH11      ARG  24   9.599   5.738  -4.442
  174   HH12  ARG  24          HH12      ARG  24  10.417   4.633  -5.518
  175   HH21  ARG  24          HH21      ARG  24   8.104   2.028  -5.070
  176   HH22  ARG  24          HH22      ARG  24   9.560   2.522  -5.870
  177    H    ILE  25           HN       ILE  25   6.537   2.513   1.305
  178    HA   ILE  25           HA       ILE  25   8.884   2.334   2.794
  179    HB   ILE  25           HB       ILE  25   7.696   1.444   4.607
  180   HG12  ILE  25          HG12      ILE  25   5.448   0.580   2.775
  181   HG13  ILE  25          HG11      ILE  25   6.735  -0.494   3.308
  182   HG21  ILE  25          HG21      ILE  25   5.662   2.788   4.708
  183   HG22  ILE  25          HG22      ILE  25   5.738   3.037   2.965
  184   HG23  ILE  25          HG23      ILE  25   7.005   3.685   4.008
  185   HD11  ILE  25          HD11      ILE  25   6.058  -0.128   5.638
  186   HD12  ILE  25          HD12      ILE  25   4.764  -0.813   4.652
  187   HD13  ILE  25          HD13      ILE  25   4.738   0.901   5.074
  188    H    HIS  26           HN       HIS  26   7.454  -0.032   0.718
  189    HA   HIS  26           HA       HIS  26   8.873  -2.286   1.770
  190    HB2  HIS  26           HB2      HIS  26   7.406  -1.839  -0.831
  191    HB3  HIS  26           HB1      HIS  26   8.234  -3.346  -0.461
  192    HD1  HIS  26           HD1      HIS  26   7.356  -4.296   2.116
  193    HD2  HIS  26           HD2      HIS  26   4.805  -1.994  -0.256
  194    HE1  HIS  26           HE1      HIS  26   4.983  -4.795   2.897
  195    H    THR  27           HN       THR  27   9.425  -0.026  -0.910
  196    HA   THR  27           HA       THR  27  11.725  -1.469  -1.848
  197    HB   THR  27           HB       THR  27  10.270  -0.124  -3.364
  198    HG1  THR  27           HG1      THR  27  12.340  -0.609  -4.087
  199   HG21  THR  27          HG21      THR  27   9.891   1.815  -1.927
  200   HG22  THR  27          HG22      THR  27  10.578   2.301  -3.476
  201   HG23  THR  27          HG23      THR  27  11.600   2.241  -2.041
  202    H    ALA  28           HN       ALA  28  11.146   0.917   0.537
  203    HA   ALA  28           HA       ALA  28  13.828   1.967   0.612
  204    HB1  ALA  28           HB1      ALA  28  11.896   3.314   1.311
  205    HB2  ALA  28           HB2      ALA  28  13.082   3.148   2.602
  206    HB3  ALA  28           HB3      ALA  28  11.601   2.191   2.637
  207    H    GLN  29           HN       GLN  29  14.986   1.879   2.812
  208    HA   GLN  29           HA       GLN  29  14.843  -0.860   3.884
  209    HB2  GLN  29           HB2      GLN  29  16.880  -0.510   2.526
  210    HB3  GLN  29           HB1      GLN  29  17.317   0.852   3.548
  211    HG2  GLN  29           HG2      GLN  29  17.447  -0.676   5.476
  212    HG3  GLN  29           HG1      GLN  29  17.101  -2.026   4.397
  213   HE21  GLN  29          HE21      GLN  29  19.043  -3.037   4.815
  214   HE22  GLN  29          HE22      GLN  29  20.559  -2.427   4.254
  Start of MODEL   10
    1    H1   HIS   1           HT1      HIS   1 -15.252  -1.399  -0.513
    2    H2   HIS   1           HT2      HIS   1 -14.629   0.132  -0.144
    3    H3   HIS   1           HT3      HIS   1 -16.116  -0.355   0.505
    4    HA   HIS   1           HA       HIS   1 -14.310  -0.428   2.117
    5    HB2  HIS   1           HB2      HIS   1 -14.788  -2.675   2.983
    6    HB3  HIS   1           HB1      HIS   1 -16.249  -1.874   2.428
    7    HD1  HIS   1           HD1      HIS   1 -14.368  -4.963   2.129
    8    HD2  HIS   1           HD2      HIS   1 -17.163  -2.898  -0.167
    9    HE1  HIS   1           HE1      HIS   1 -15.243  -6.628   0.454
   10    HE2  HIS   1           HE2      HIS   1 -16.856  -5.333  -0.989
   11    H    ILE   2           HN       ILE   2 -13.679  -2.141  -0.845
   12    HA   ILE   2           HA       ILE   2 -10.862  -2.328  -0.027
   13    HB   ILE   2           HB       ILE   2 -12.352  -4.462  -1.577
   14   HG12  ILE   2          HG12      ILE   2 -11.003  -4.589   1.133
   15   HG13  ILE   2          HG11      ILE   2 -12.748  -4.520   0.868
   16   HG21  ILE   2          HG21      ILE   2 -10.110  -4.152  -2.453
   17   HG22  ILE   2          HG22      ILE   2 -10.223  -5.678  -1.576
   18   HG23  ILE   2          HG23      ILE   2  -9.437  -4.287  -0.828
   19   HD11  ILE   2          HD11      ILE   2 -12.042  -6.778   1.353
   20   HD12  ILE   2          HD12      ILE   2 -10.902  -6.737   0.009
   21   HD13  ILE   2          HD13      ILE   2 -12.637  -6.670  -0.302
   22    H    LEU   3           HN       LEU   3 -10.512  -0.399  -1.157
   23    HA   LEU   3           HA       LEU   3 -11.253  -0.288  -3.967
   24    HB2  LEU   3           HB2      LEU   3 -11.203   1.629  -2.067
   25    HB3  LEU   3           HB1      LEU   3  -9.611   1.862  -2.757
   26    HG   LEU   3           HG       LEU   3 -11.222   3.377  -3.770
   27   HD11  LEU   3          HD11      LEU   3 -10.386   1.215  -5.696
   28   HD12  LEU   3          HD12      LEU   3  -9.385   2.564  -5.164
   29   HD13  LEU   3          HD13      LEU   3 -10.836   2.866  -6.118
   30   HD21  LEU   3          HD21      LEU   3 -13.236   2.060  -3.436
   31   HD22  LEU   3          HD22      LEU   3 -12.678   0.880  -4.622
   32   HD23  LEU   3          HD23      LEU   3 -13.070   2.522  -5.130
   33    H    TYR   4           HN       TYR   4  -8.266   0.187  -2.075
   34    HA   TYR   4           HA       TYR   4  -6.771  -0.808  -4.405
   35    HB2  TYR   4           HB2      TYR   4  -6.075   1.359  -2.432
   36    HB3  TYR   4           HB1      TYR   4  -4.855   0.567  -3.427
   37    HD1  TYR   4           HD1      TYR   4  -5.484   0.445  -5.993
   38    HD2  TYR   4           HD2      TYR   4  -7.023   3.308  -3.255
   39    HE1  TYR   4           HE1      TYR   4  -6.007   1.935  -7.868
   40    HE2  TYR   4           HE2      TYR   4  -7.554   4.819  -5.125
   41    HH   TYR   4           HH       TYR   4  -7.546   3.804  -8.368
   42    H    ALA   5           HN       ALA   5  -4.935  -2.095  -4.002
   43    HA   ALA   5           HA       ALA   5  -4.600  -3.081  -1.283
   44    HB1  ALA   5           HB1      ALA   5  -4.774  -5.413  -1.988
   45    HB2  ALA   5           HB2      ALA   5  -5.209  -4.892  -3.616
   46    HB3  ALA   5           HB3      ALA   5  -6.284  -4.543  -2.260
   47    H    CYS   6           HN       CYS   6  -2.541  -2.993  -0.848
   48    HA   CYS   6           HA       CYS   6  -0.449  -3.099  -2.793
   49    HB2  CYS   6           HB2      CYS   6  -0.233  -1.937  -0.619
   50    HB3  CYS   6           HB1      CYS   6  -0.333  -3.494   0.204
   51    H    ASP   7           HN       ASP   7  -0.032  -4.930  -3.874
   52    HA   ASP   7           HA       ASP   7  -1.099  -7.422  -2.973
   53    HB2  ASP   7           HB2      ASP   7  -1.006  -6.658  -5.372
   54    HB3  ASP   7           HB1      ASP   7   0.729  -6.954  -5.337
   55    H    SER   8           HN       SER   8   0.269  -9.426  -3.135
   56    HA   SER   8           HA       SER   8   1.981 -10.754  -2.480
   57    HB2  SER   8           HB2      SER   8   3.500  -9.027  -3.557
   58    HB3  SER   8           HB1      SER   8   3.673  -8.306  -1.952
   59    HG   SER   8           HG       SER   8   4.744 -10.632  -2.984
   60    H    CYS   9           HN       CYS   9   1.787  -7.795  -0.496
   61    HA   CYS   9           HA       CYS   9   1.974  -9.418   1.920
   62    HB2  CYS   9           HB2      CYS   9   1.493  -6.686   2.549
   63    HB3  CYS   9           HB1      CYS   9   3.010  -7.583   2.676
   64    H    GLY  10           HN       GLY  10  -0.339  -7.477   0.122
   65    HA2  GLY  10           HA2      GLY  10  -2.621  -8.014  -0.026
   66    HA3  GLY  10           HA1      GLY  10  -2.484  -8.926   1.469
   67    H    ASP  11           HN       ASP  11  -1.452  -5.588   0.907
   68    HA   ASP  11           HA       ASP  11  -2.925  -4.820   3.302
   69    HB2  ASP  11           HB2      ASP  11  -1.276  -2.940   1.649
   70    HB3  ASP  11           HB1      ASP  11  -1.564  -2.921   3.381
   71    H    LYS  12           HN       LYS  12  -5.003  -4.219   3.036
   72    HA   LYS  12           HA       LYS  12  -5.819  -3.027   0.493
   73    HB2  LYS  12           HB2      LYS  12  -7.293  -4.341   2.741
   74    HB3  LYS  12           HB1      LYS  12  -8.157  -3.232   1.688
   75    HG2  LYS  12           HG2      LYS  12  -8.519  -5.391   0.826
   76    HG3  LYS  12           HG1      LYS  12  -7.359  -4.616  -0.254
   77    HD2  LYS  12           HD2      LYS  12  -5.542  -5.790   1.039
   78    HD3  LYS  12           HD1      LYS  12  -6.819  -6.698   1.857
   79    HE2  LYS  12           HE2      LYS  12  -7.622  -7.465  -0.359
   80    HE3  LYS  12           HE1      LYS  12  -6.256  -6.641  -1.104
   81    HZ1  LYS  12           HZ1      LYS  12  -5.475  -8.767  -0.902
   82    HZ2  LYS  12           HZ2      LYS  12  -6.280  -9.066   0.558
   83    HZ3  LYS  12           HZ3      LYS  12  -4.895  -8.090   0.539
   84    H    PHE  13           HN       PHE  13  -5.455  -0.927   0.398
   85    HA   PHE  13           HA       PHE  13  -6.050   0.740   2.735
   86    HB2  PHE  13           HB2      PHE  13  -4.434   1.296   0.246
   87    HB3  PHE  13           HB1      PHE  13  -4.810   2.520   1.463
   88    HD1  PHE  13           HD1      PHE  13  -4.133   1.928   3.905
   89    HD2  PHE  13           HD2      PHE  13  -2.512   0.067   0.437
   90    HE1  PHE  13           HE1      PHE  13  -2.149   1.257   5.192
   91    HE2  PHE  13           HE2      PHE  13  -0.530  -0.614   1.722
   92    HZ   PHE  13           HZ       PHE  13  -0.384  -0.058   4.140
   93    H    LEU  14           HN       LEU  14  -7.534   2.338   2.696
   94    HA   LEU  14           HA       LEU  14  -9.199   2.606   0.301
   95    HB2  LEU  14           HB2      LEU  14  -9.610   3.675   3.099
   96    HB3  LEU  14           HB1      LEU  14 -10.747   3.833   1.774
   97    HG   LEU  14           HG       LEU  14  -9.920   1.259   3.122
   98   HD11  LEU  14          HD11      LEU  14 -12.530   2.772   3.089
   99   HD12  LEU  14          HD12      LEU  14 -11.433   2.601   4.461
  100   HD13  LEU  14          HD13      LEU  14 -12.271   1.189   3.821
  101   HD21  LEU  14          HD21      LEU  14 -11.813   1.740   0.827
  102   HD22  LEU  14          HD22      LEU  14 -11.612   0.209   1.682
  103   HD23  LEU  14          HD23      LEU  14 -10.272   0.886   0.755
  104    H    ASP  15           HN       ASP  15  -6.527   3.636   0.448
  105    HA   ASP  15           HA       ASP  15  -7.009   6.412  -0.244
  106    HB2  ASP  15           HB2      ASP  15  -6.485   6.320   2.243
  107    HB3  ASP  15           HB1      ASP  15  -4.895   5.705   1.804
  108    H    ALA  16           HN       ALA  16  -5.392   7.198  -1.687
  109    HA   ALA  16           HA       ALA  16  -3.990   4.960  -2.976
  110    HB1  ALA  16           HB1      ALA  16  -4.620   7.728  -4.016
  111    HB2  ALA  16           HB2      ALA  16  -5.504   6.249  -4.396
  112    HB3  ALA  16           HB3      ALA  16  -3.834   6.438  -4.931
  113    H    ASN  17           HN       ASN  17  -3.565   8.213  -1.824
  114    HA   ASN  17           HA       ASN  17  -0.861   8.613  -2.274
  115    HB2  ASN  17           HB2      ASN  17  -2.342  10.363  -1.551
  116    HB3  ASN  17           HB1      ASN  17  -2.700   9.506  -0.058
  117   HD21  ASN  17          HD21      ASN  17  -0.429  11.476  -1.766
  118   HD22  ASN  17          HD22      ASN  17   0.598  11.837  -0.418
  119    H    SER  18           HN       SER  18  -2.483   7.217   0.561
  120    HA   SER  18           HA       SER  18  -0.067   6.593   1.942
  121    HB2  SER  18           HB2      SER  18  -2.314   6.896   3.026
  122    HB3  SER  18           HB1      SER  18  -2.803   5.347   2.339
  123    HG   SER  18           HG       SER  18  -0.540   5.684   4.017
  124    H    LEU  19           HN       LEU  19  -2.047   4.877  -0.390
  125    HA   LEU  19           HA       LEU  19  -0.900   2.322  -0.044
  126    HB2  LEU  19           HB2      LEU  19  -2.912   2.548  -1.345
  127    HB3  LEU  19           HB1      LEU  19  -2.119   3.632  -2.473
  128    HG   LEU  19           HG       LEU  19  -0.581   1.685  -3.038
  129   HD11  LEU  19          HD11      LEU  19  -2.742   0.097  -1.683
  130   HD12  LEU  19          HD12      LEU  19  -1.093   0.310  -1.091
  131   HD13  LEU  19          HD13      LEU  19  -1.380  -0.544  -2.607
  132   HD21  LEU  19          HD21      LEU  19  -2.327   0.621  -4.502
  133   HD22  LEU  19          HD22      LEU  19  -2.168   2.373  -4.636
  134   HD23  LEU  19          HD23      LEU  19  -3.499   1.679  -3.716
  135    H    ALA  20           HN       ALA  20  -0.134   4.956  -2.307
  136    HA   ALA  20           HA       ALA  20   1.994   3.619  -3.592
  137    HB1  ALA  20           HB1      ALA  20   0.799   5.579  -4.522
  138    HB2  ALA  20           HB2      ALA  20   2.553   5.768  -4.542
  139    HB3  ALA  20           HB3      ALA  20   1.590   6.600  -3.322
  140    H    GLN  21           HN       GLN  21   1.977   5.883  -0.828
  141    HA   GLN  21           HA       GLN  21   4.800   5.934  -0.557
  142    HB2  GLN  21           HB2      GLN  21   4.487   7.024   1.493
  143    HB3  GLN  21           HB1      GLN  21   3.072   7.491   0.561
  144    HG2  GLN  21           HG2      GLN  21   1.702   5.931   1.717
  145    HG3  GLN  21           HG1      GLN  21   3.104   5.214   2.518
  146   HE21  GLN  21          HE21      GLN  21   2.336   5.600   4.570
  147   HE22  GLN  21          HE22      GLN  21   2.221   7.198   5.252
  148    H    HIS  22           HN       HIS  22   2.354   3.685   0.341
  149    HA   HIS  22           HA       HIS  22   3.891   2.238   2.262
  150    HB2  HIS  22           HB2      HIS  22   1.506   2.077   2.411
  151    HB3  HIS  22           HB1      HIS  22   1.377   1.558   0.726
  152    HD1  HIS  22           HD1      HIS  22   2.451   0.283   4.121
  153    HD2  HIS  22           HD2      HIS  22   1.694  -1.108   0.271
  154    HE1  HIS  22           HE1      HIS  22   2.549  -2.240   4.248
  155    H    VAL  23           HN       VAL  23   3.126   1.757  -1.188
  156    HA   VAL  23           HA       VAL  23   4.763  -0.546  -1.420
  157    HB   VAL  23           HB       VAL  23   4.861   0.644  -3.938
  158   HG11  VAL  23          HG11      VAL  23   2.792  -1.250  -2.842
  159   HG12  VAL  23          HG12      VAL  23   4.401  -1.715  -3.398
  160   HG13  VAL  23          HG13      VAL  23   3.231  -1.050  -4.537
  161   HG21  VAL  23          HG21      VAL  23   3.305   2.365  -3.183
  162   HG22  VAL  23          HG22      VAL  23   2.164   1.104  -2.703
  163   HG23  VAL  23          HG23      VAL  23   2.585   1.317  -4.407
  164    H    ARG  24           HN       ARG  24   5.420   2.831  -1.265
  165    HA   ARG  24           HA       ARG  24   8.129   2.729  -2.145
  166    HB2  ARG  24           HB2      ARG  24   6.771   4.649  -0.259
  167    HB3  ARG  24           HB1      ARG  24   8.395   4.855  -0.898
  168    HG2  ARG  24           HG2      ARG  24   7.499   4.956  -3.170
  169    HG3  ARG  24           HG1      ARG  24   5.864   4.791  -2.528
  170    HD2  ARG  24           HD2      ARG  24   6.149   6.869  -1.274
  171    HD3  ARG  24           HD1      ARG  24   7.790   7.025  -1.901
  172    HE   ARG  24           HE       ARG  24   6.108   6.828  -4.101
  173   HH11  ARG  24          HH11      ARG  24   6.607   9.011  -1.405
  174   HH12  ARG  24          HH12      ARG  24   6.069  10.412  -2.278
  175   HH21  ARG  24          HH21      ARG  24   5.403   8.653  -5.246
  176   HH22  ARG  24          HH22      ARG  24   5.369  10.215  -4.474
  177    H    ILE  25           HN       ILE  25   6.547   2.422   1.083
  178    HA   ILE  25           HA       ILE  25   8.975   2.231   2.460
  179    HB   ILE  25           HB       ILE  25   7.882   1.344   4.349
  180   HG12  ILE  25          HG12      ILE  25   5.506   0.574   2.634
  181   HG13  ILE  25          HG11      ILE  25   6.764  -0.547   3.146
  182   HG21  ILE  25          HG21      ILE  25   7.246   3.612   3.866
  183   HG22  ILE  25          HG22      ILE  25   5.875   2.753   4.570
  184   HG23  ILE  25          HG23      ILE  25   5.930   3.058   2.833
  185   HD11  ILE  25          HD11      ILE  25   6.177  -0.161   5.473
  186   HD12  ILE  25          HD12      ILE  25   4.784  -0.712   4.542
  187   HD13  ILE  25          HD13      ILE  25   4.939   0.992   4.972
  188    H    HIS  26           HN       HIS  26   7.356  -0.032   0.442
  189    HA   HIS  26           HA       HIS  26   8.880  -2.330   1.274
  190    HB2  HIS  26           HB2      HIS  26   7.116  -1.830  -1.129
  191    HB3  HIS  26           HB1      HIS  26   7.948  -3.354  -0.839
  192    HD1  HIS  26           HD1      HIS  26   7.350  -4.296   1.788
  193    HD2  HIS  26           HD2      HIS  26   4.600  -1.891  -0.234
  194    HE1  HIS  26           HE1      HIS  26   5.091  -4.721   2.865
  195    H    THR  27           HN       THR  27   9.628   0.407  -0.439
  196    HA   THR  27           HA       THR  27  11.520  -0.862  -2.255
  197    HB   THR  27           HB       THR  27  11.203   2.107  -1.790
  198    HG1  THR  27           HG1      THR  27   9.298   0.456  -2.615
  199   HG21  THR  27          HG21      THR  27  11.919   2.254  -4.131
  200   HG22  THR  27          HG22      THR  27  12.020   0.494  -4.214
  201   HG23  THR  27          HG23      THR  27  13.111   1.391  -3.158
  202    H    ALA  28           HN       ALA  28  11.555  -0.695   0.819
  203    HA   ALA  28           HA       ALA  28  13.107  -0.764   2.454
  204    HB1  ALA  28           HB1      ALA  28  15.446  -1.033   1.909
  205    HB2  ALA  28           HB2      ALA  28  15.154  -0.482   0.259
  206    HB3  ALA  28           HB3      ALA  28  14.458  -2.004   0.818
  207    H    GLN  29           HN       GLN  29  12.003   1.411   2.770
  208    HA   GLN  29           HA       GLN  29  13.756   3.691   2.473
  209    HB2  GLN  29           HB2      GLN  29  11.150   3.374   3.970
  210    HB3  GLN  29           HB1      GLN  29  12.020   4.890   3.788
  211    HG2  GLN  29           HG2      GLN  29  11.762   4.652   1.322
  212    HG3  GLN  29           HG1      GLN  29  10.729   3.254   1.624
  213   HE21  GLN  29          HE21      GLN  29   9.618   4.466   4.057
  214   HE22  GLN  29          HE22      GLN  29   8.495   5.669   3.515
  Start of MODEL   11
    1    H1   HIS   1           HT1      HIS   1 -14.356  -0.145   1.817
    2    H2   HIS   1           HT2      HIS   1 -15.900   0.200   1.214
    3    H3   HIS   1           HT3      HIS   1 -14.772   1.446   1.406
    4    HA   HIS   1           HA       HIS   1 -14.602  -0.814  -0.497
    5    HB2  HIS   1           HB2      HIS   1 -16.200   0.916  -1.173
    6    HB3  HIS   1           HB1      HIS   1 -14.979   2.159  -0.926
    7    HD1  HIS   1           HD1      HIS   1 -13.991   2.935  -3.047
    8    HD2  HIS   1           HD2      HIS   1 -15.146  -1.058  -3.260
    9    HE1  HIS   1           HE1      HIS   1 -13.432   2.191  -5.384
   10    HE2  HIS   1           HE2      HIS   1 -14.329  -0.163  -5.549
   11    H    ILE   2           HN       ILE   2 -12.643  -1.332  -1.149
   12    HA   ILE   2           HA       ILE   2 -10.354   0.207  -0.230
   13    HB   ILE   2           HB       ILE   2 -10.605  -2.456  -1.636
   14   HG12  ILE   2          HG12      ILE   2  -9.407  -3.228   0.474
   15   HG13  ILE   2          HG11      ILE   2  -9.712  -1.618   1.128
   16   HG21  ILE   2          HG21      ILE   2  -8.157  -2.686  -1.406
   17   HG22  ILE   2          HG22      ILE   2  -8.073  -0.993  -0.917
   18   HG23  ILE   2          HG23      ILE   2  -8.630  -1.417  -2.535
   19   HD11  ILE   2          HD11      ILE   2 -11.354  -3.196   1.930
   20   HD12  ILE   2          HD12      ILE   2 -11.793  -3.622   0.278
   21   HD13  ILE   2          HD13      ILE   2 -12.120  -2.000   0.887
   22    H    LEU   3           HN       LEU   3  -9.226   1.581  -1.452
   23    HA   LEU   3           HA       LEU   3 -10.118   2.017  -4.195
   24    HB2  LEU   3           HB2      LEU   3  -9.796   3.835  -2.377
   25    HB3  LEU   3           HB1      LEU   3  -8.087   3.675  -2.720
   26    HG   LEU   3           HG       LEU   3  -9.242   5.582  -3.871
   27   HD11  LEU   3          HD11      LEU   3  -7.113   4.750  -4.687
   28   HD12  LEU   3          HD12      LEU   3  -8.147   5.245  -6.027
   29   HD13  LEU   3          HD13      LEU   3  -7.944   3.534  -5.656
   30   HD21  LEU   3          HD21      LEU   3 -11.347   4.510  -4.386
   31   HD22  LEU   3          HD22      LEU   3 -10.531   3.352  -5.437
   32   HD23  LEU   3          HD23      LEU   3 -10.572   5.061  -5.871
   33    H    TYR   4           HN       TYR   4  -7.114   1.453  -2.392
   34    HA   TYR   4           HA       TYR   4  -5.956   0.294  -4.818
   35    HB2  TYR   4           HB2      TYR   4  -5.191   2.808  -3.729
   36    HB3  TYR   4           HB1      TYR   4  -3.888   1.669  -3.408
   37    HD1  TYR   4           HD1      TYR   4  -3.327   0.106  -5.522
   38    HD2  TYR   4           HD2      TYR   4  -5.085   3.978  -5.719
   39    HE1  TYR   4           HE1      TYR   4  -2.544   0.341  -7.840
   40    HE2  TYR   4           HE2      TYR   4  -4.298   4.224  -8.034
   41    HH   TYR   4           HH       TYR   4  -2.535   3.298  -9.492
   42    H    ALA   5           HN       ALA   5  -4.865  -1.539  -4.436
   43    HA   ALA   5           HA       ALA   5  -4.500  -2.290  -1.614
   44    HB1  ALA   5           HB1      ALA   5  -5.104  -4.110  -3.935
   45    HB2  ALA   5           HB2      ALA   5  -6.284  -3.531  -2.759
   46    HB3  ALA   5           HB3      ALA   5  -4.960  -4.577  -2.242
   47    H    CYS   6           HN       CYS   6  -2.572  -2.909  -0.941
   48    HA   CYS   6           HA       CYS   6  -0.347  -3.093  -2.802
   49    HB2  CYS   6           HB2      CYS   6  -0.251  -1.939  -0.529
   50    HB3  CYS   6           HB1      CYS   6  -0.298  -3.552   0.182
   51    H    ASP   7           HN       ASP   7  -0.489  -4.992  -3.921
   52    HA   ASP   7           HA       ASP   7  -1.427  -7.406  -2.715
   53    HB2  ASP   7           HB2      ASP   7  -0.911  -8.481  -4.843
   54    HB3  ASP   7           HB1      ASP   7  -1.776  -6.972  -5.109
   55    H    SER   8           HN       SER   8  -0.072  -9.449  -3.039
   56    HA   SER   8           HA       SER   8   1.735 -10.728  -2.562
   57    HB2  SER   8           HB2      SER   8   3.362  -8.174  -2.472
   58    HB3  SER   8           HB1      SER   8   4.000  -9.818  -2.513
   59    HG   SER   8           HG       SER   8   2.344  -8.682  -4.535
   60    H    CYS   9           HN       CYS   9   1.563  -7.740  -0.601
   61    HA   CYS   9           HA       CYS   9   2.031  -9.389   1.781
   62    HB2  CYS   9           HB2      CYS   9   1.620  -6.665   2.484
   63    HB3  CYS   9           HB1      CYS   9   3.132  -7.589   2.539
   64    H    GLY  10           HN       GLY  10  -0.437  -7.652   0.081
   65    HA2  GLY  10           HA2      GLY  10  -2.725  -8.075   0.255
   66    HA3  GLY  10           HA1      GLY  10  -2.430  -8.911   1.769
   67    H    ASP  11           HN       ASP  11  -1.350  -5.636   1.029
   68    HA   ASP  11           HA       ASP  11  -2.765  -4.728   3.416
   69    HB2  ASP  11           HB2      ASP  11  -0.974  -3.011   1.719
   70    HB3  ASP  11           HB1      ASP  11  -1.291  -2.902   3.445
   71    H    LYS  12           HN       LYS  12  -4.799  -4.026   3.120
   72    HA   LYS  12           HA       LYS  12  -5.531  -2.990   0.471
   73    HB2  LYS  12           HB2      LYS  12  -7.372  -3.803   2.722
   74    HB3  LYS  12           HB1      LYS  12  -7.807  -3.507   1.045
   75    HG2  LYS  12           HG2      LYS  12  -6.102  -5.763   2.064
   76    HG3  LYS  12           HG1      LYS  12  -7.771  -5.871   1.500
   77    HD2  LYS  12           HD2      LYS  12  -7.070  -5.149  -0.725
   78    HD3  LYS  12           HD1      LYS  12  -5.402  -5.020  -0.163
   79    HE2  LYS  12           HE2      LYS  12  -5.614  -7.092  -1.307
   80    HE3  LYS  12           HE1      LYS  12  -5.502  -7.449   0.415
   81    HZ1  LYS  12           HZ1      LYS  12  -7.990  -7.564   0.405
   82    HZ2  LYS  12           HZ2      LYS  12  -7.214  -8.792  -0.469
   83    HZ3  LYS  12           HZ3      LYS  12  -7.928  -7.488  -1.287
   84    H    PHE  13           HN       PHE  13  -5.299  -0.845   0.338
   85    HA   PHE  13           HA       PHE  13  -5.972   0.807   2.666
   86    HB2  PHE  13           HB2      PHE  13  -4.319   1.351   0.205
   87    HB3  PHE  13           HB1      PHE  13  -4.798   2.624   1.328
   88    HD1  PHE  13           HD1      PHE  13  -3.767   2.843   3.468
   89    HD2  PHE  13           HD2      PHE  13  -2.766  -0.403   0.903
   90    HE1  PHE  13           HE1      PHE  13  -1.825   2.330   4.884
   91    HE2  PHE  13           HE2      PHE  13  -0.823  -0.924   2.318
   92    HZ   PHE  13           HZ       PHE  13  -0.352   0.441   4.312
   93    H    LEU  14           HN       LEU  14  -7.382   2.501   2.564
   94    HA   LEU  14           HA       LEU  14  -9.267   2.478   0.330
   95    HB2  LEU  14           HB2      LEU  14  -9.350   3.821   3.036
   96    HB3  LEU  14           HB1      LEU  14 -10.569   4.064   1.804
   97    HG   LEU  14           HG       LEU  14 -10.960   1.545   1.901
   98   HD11  LEU  14          HD11      LEU  14 -10.369   0.487   4.059
   99   HD12  LEU  14          HD12      LEU  14  -9.331   1.869   4.412
  100   HD13  LEU  14          HD13      LEU  14  -8.976   0.827   3.034
  101   HD21  LEU  14          HD21      LEU  14 -12.401   1.747   3.874
  102   HD22  LEU  14          HD22      LEU  14 -12.518   3.153   2.815
  103   HD23  LEU  14          HD23      LEU  14 -11.582   3.248   4.306
  104    H    ASP  15           HN       ASP  15  -6.573   4.120   1.464
  105    HA   ASP  15           HA       ASP  15  -7.115   6.482  -0.210
  106    HB2  ASP  15           HB2      ASP  15  -4.916   6.059   1.840
  107    HB3  ASP  15           HB1      ASP  15  -5.229   7.544   0.951
  108    H    ALA  16           HN       ALA  16  -5.553   7.082  -1.776
  109    HA   ALA  16           HA       ALA  16  -4.072   4.773  -2.812
  110    HB1  ALA  16           HB1      ALA  16  -5.548   5.941  -4.381
  111    HB2  ALA  16           HB2      ALA  16  -3.859   6.091  -4.873
  112    HB3  ALA  16           HB3      ALA  16  -4.675   7.446  -4.089
  113    H    ASN  17           HN       ASN  17  -3.780   8.004  -1.650
  114    HA   ASN  17           HA       ASN  17  -1.121   8.608  -2.083
  115    HB2  ASN  17           HB2      ASN  17  -3.007   9.996  -1.057
  116    HB3  ASN  17           HB1      ASN  17  -2.610   9.207   0.464
  117   HD21  ASN  17          HD21      ASN  17  -1.881  10.948   1.545
  118   HD22  ASN  17          HD22      ASN  17  -0.443  11.820   1.124
  119    H    SER  18           HN       SER  18  -2.591   6.937   0.668
  120    HA   SER  18           HA       SER  18  -0.113   6.484   2.012
  121    HB2  SER  18           HB2      SER  18  -2.735   5.049   2.494
  122    HB3  SER  18           HB1      SER  18  -1.421   5.309   3.641
  123    HG   SER  18           HG       SER  18  -3.251   6.761   3.868
  124    H    LEU  19           HN       LEU  19  -1.992   4.762  -0.335
  125    HA   LEU  19           HA       LEU  19  -0.837   2.200   0.075
  126    HB2  LEU  19           HB2      LEU  19  -2.979   2.537  -1.090
  127    HB3  LEU  19           HB1      LEU  19  -2.150   3.381  -2.376
  128    HG   LEU  19           HG       LEU  19  -2.866   0.948  -2.750
  129   HD11  LEU  19          HD11      LEU  19  -0.044   1.780  -3.346
  130   HD12  LEU  19          HD12      LEU  19  -1.473   2.137  -4.317
  131   HD13  LEU  19          HD13      LEU  19  -0.922   0.472  -4.139
  132   HD21  LEU  19          HD21      LEU  19  -2.008   0.034  -0.677
  133   HD22  LEU  19          HD22      LEU  19  -0.369   0.492  -1.138
  134   HD23  LEU  19          HD23      LEU  19  -1.237  -0.736  -2.061
  135    H    ALA  20           HN       ALA  20  -0.353   4.609  -2.492
  136    HA   ALA  20           HA       ALA  20   1.807   3.387  -3.746
  137    HB1  ALA  20           HB1      ALA  20   2.279   5.545  -4.751
  138    HB2  ALA  20           HB2      ALA  20   1.303   6.359  -3.528
  139    HB3  ALA  20           HB3      ALA  20   0.540   5.274  -4.689
  140    H    GLN  21           HN       GLN  21   1.855   5.630  -0.978
  141    HA   GLN  21           HA       GLN  21   4.717   5.736  -0.888
  142    HB2  GLN  21           HB2      GLN  21   4.501   6.963   1.098
  143    HB3  GLN  21           HB1      GLN  21   3.066   7.394   0.176
  144    HG2  GLN  21           HG2      GLN  21   1.709   5.924   1.485
  145    HG3  GLN  21           HG1      GLN  21   3.134   5.285   2.311
  146   HE21  GLN  21          HE21      GLN  21   2.347   5.850   4.328
  147   HE22  GLN  21          HE22      GLN  21   2.290   7.508   4.877
  148    H    HIS  22           HN       HIS  22   2.302   3.564   0.242
  149    HA   HIS  22           HA       HIS  22   3.900   2.229   2.194
  150    HB2  HIS  22           HB2      HIS  22   1.533   2.042   2.433
  151    HB3  HIS  22           HB1      HIS  22   1.337   1.492   0.766
  152    HD1  HIS  22           HD1      HIS  22   2.421   0.276   4.168
  153    HD2  HIS  22           HD2      HIS  22   1.726  -1.181   0.328
  154    HE1  HIS  22           HE1      HIS  22   2.527  -2.244   4.330
  155    H    VAL  23           HN       VAL  23   3.132   1.672  -1.227
  156    HA   VAL  23           HA       VAL  23   4.758  -0.643  -1.437
  157    HB   VAL  23           HB       VAL  23   4.850   0.631  -3.944
  158   HG11  VAL  23          HG11      VAL  23   2.990  -1.498  -2.908
  159   HG12  VAL  23          HG12      VAL  23   4.617  -1.764  -3.540
  160   HG13  VAL  23          HG13      VAL  23   3.341  -1.171  -4.605
  161   HG21  VAL  23          HG21      VAL  23   2.130   0.851  -2.690
  162   HG22  VAL  23          HG22      VAL  23   2.496   1.078  -4.400
  163   HG23  VAL  23          HG23      VAL  23   3.152   2.194  -3.203
  164    H    ARG  24           HN       ARG  24   5.423   2.692  -1.178
  165    HA   ARG  24           HA       ARG  24   8.118   2.587  -2.146
  166    HB2  ARG  24           HB2      ARG  24   6.788   4.576  -0.303
  167    HB3  ARG  24           HB1      ARG  24   8.383   4.772  -1.018
  168    HG2  ARG  24           HG2      ARG  24   5.773   4.636  -2.516
  169    HG3  ARG  24           HG1      ARG  24   6.752   6.078  -2.235
  170    HD2  ARG  24           HD2      ARG  24   7.577   3.645  -3.813
  171    HD3  ARG  24           HD1      ARG  24   7.110   5.208  -4.480
  172    HE   ARG  24           HE       ARG  24   9.113   6.048  -3.108
  173   HH11  ARG  24          HH11      ARG  24   8.919   2.876  -4.598
  174   HH12  ARG  24          HH12      ARG  24  10.632   2.769  -4.883
  175   HH21  ARG  24          HH21      ARG  24  11.364   5.891  -3.451
  176   HH22  ARG  24          HH22      ARG  24  12.030   4.486  -4.225
  177    H    ILE  25           HN       ILE  25   6.548   2.424   1.072
  178    HA   ILE  25           HA       ILE  25   8.936   2.360   2.512
  179    HB   ILE  25           HB       ILE  25   7.795   1.515   4.406
  180   HG12  ILE  25          HG12      ILE  25   5.467   0.731   2.638
  181   HG13  ILE  25          HG11      ILE  25   6.686  -0.392   3.228
  182   HG21  ILE  25          HG21      ILE  25   7.211   3.782   3.828
  183   HG22  ILE  25          HG22      ILE  25   5.814   2.964   4.527
  184   HG23  ILE  25          HG23      ILE  25   5.910   3.212   2.784
  185   HD11  ILE  25          HD11      ILE  25   4.809   1.225   4.932
  186   HD12  ILE  25          HD12      ILE  25   6.034   0.105   5.527
  187   HD13  ILE  25          HD13      ILE  25   4.677  -0.497   4.574
  188    H    HIS  26           HN       HIS  26   7.456  -0.081   0.599
  189    HA   HIS  26           HA       HIS  26   8.892  -2.309   1.690
  190    HB2  HIS  26           HB2      HIS  26   7.391  -1.924  -0.905
  191    HB3  HIS  26           HB1      HIS  26   8.178  -3.438  -0.466
  192    HD1  HIS  26           HD1      HIS  26   7.333  -4.211   2.158
  193    HD2  HIS  26           HD2      HIS  26   4.778  -1.982  -0.273
  194    HE1  HIS  26           HE1      HIS  26   4.990  -4.568   3.060
  195    H    THR  27           HN       THR  27   9.784   0.278  -0.289
  196    HA   THR  27           HA       THR  27  11.783  -1.206  -1.793
  197    HB   THR  27           HB       THR  27  11.254   1.774  -1.777
  198    HG1  THR  27           HG1      THR  27   9.884  -0.342  -2.892
  199   HG21  THR  27          HG21      THR  27  12.624  -0.002  -3.801
  200   HG22  THR  27          HG22      THR  27  13.429   1.133  -2.721
  201   HG23  THR  27          HG23      THR  27  12.339   1.730  -3.970
  202    H    ALA  28           HN       ALA  28  11.581   0.860   1.012
  203    HA   ALA  28           HA       ALA  28  14.486   1.195   1.053
  204    HB1  ALA  28           HB1      ALA  28  13.127   3.203   1.377
  205    HB2  ALA  28           HB2      ALA  28  14.114   2.850   2.795
  206    HB3  ALA  28           HB3      ALA  28  12.393   2.474   2.803
  207    H    GLN  29           HN       GLN  29  15.218   1.339   3.519
  208    HA   GLN  29           HA       GLN  29  15.919   0.177   5.319
  209    HB2  GLN  29           HB2      GLN  29  13.534   0.429   5.987
  210    HB3  GLN  29           HB1      GLN  29  13.199  -1.139   5.263
  211    HG2  GLN  29           HG2      GLN  29  14.756  -2.191   6.829
  212    HG3  GLN  29           HG1      GLN  29  15.087  -0.618   7.554
  213   HE21  GLN  29          HE21      GLN  29  14.375  -1.267   9.564
  214   HE22  GLN  29          HE22      GLN  29  12.693  -1.502   9.923
  Start of MODEL   12
    1    H1   HIS   1           HT1      HIS   1 -15.582  -0.599   3.928
    2    H2   HIS   1           HT2      HIS   1 -14.635   0.754   3.552
    3    H3   HIS   1           HT3      HIS   1 -13.925  -0.596   4.290
    4    HA   HIS   1           HA       HIS   1 -14.307  -1.937   2.376
    5    HB2  HIS   1           HB2      HIS   1 -15.267  -1.056   0.346
    6    HB3  HIS   1           HB1      HIS   1 -16.400  -0.799   1.662
    7    HD1  HIS   1           HD1      HIS   1 -17.002   1.613   2.248
    8    HD2  HIS   1           HD2      HIS   1 -14.120   1.294  -0.728
    9    HE1  HIS   1           HE1      HIS   1 -16.808   3.911   1.241
   10    HE2  HIS   1           HE2      HIS   1 -15.230   3.623  -0.703
   11    H    ILE   2           HN       ILE   2 -12.836  -1.905   0.503
   12    HA   ILE   2           HA       ILE   2 -10.686   0.055   0.983
   13    HB   ILE   2           HB       ILE   2  -9.038  -1.657   0.431
   14   HG12  ILE   2          HG12      ILE   2 -10.636  -3.057  -0.988
   15   HG13  ILE   2          HG11      ILE   2  -9.533  -3.948   0.062
   16   HG21  ILE   2          HG21      ILE   2 -10.918  -2.456   2.643
   17   HG22  ILE   2          HG22      ILE   2  -9.607  -1.280   2.747
   18   HG23  ILE   2          HG23      ILE   2  -9.243  -2.986   2.483
   19   HD11  ILE   2          HD11      ILE   2 -11.747  -4.933   0.070
   20   HD12  ILE   2          HD12      ILE   2 -12.448  -3.404   0.599
   21   HD13  ILE   2          HD13      ILE   2 -11.354  -4.287   1.662
   22    H    LEU   3           HN       LEU   3  -9.749   1.018  -0.707
   23    HA   LEU   3           HA       LEU   3 -11.072   0.708  -3.284
   24    HB2  LEU   3           HB2      LEU   3 -10.617   2.930  -1.967
   25    HB3  LEU   3           HB1      LEU   3  -9.016   2.803  -2.665
   26    HG   LEU   3           HG       LEU   3 -10.600   4.298  -3.907
   27   HD11  LEU   3          HD11      LEU   3 -10.030   3.443  -6.138
   28   HD12  LEU   3          HD12      LEU   3  -9.516   1.923  -5.408
   29   HD13  LEU   3          HD13      LEU   3  -8.654   3.416  -5.035
   30   HD21  LEU   3          HD21      LEU   3 -12.626   2.967  -3.598
   31   HD22  LEU   3          HD22      LEU   3 -11.945   1.696  -4.613
   32   HD23  LEU   3          HD23      LEU   3 -12.309   3.275  -5.307
   33    H    TYR   4           HN       TYR   4  -7.777   0.848  -1.954
   34    HA   TYR   4           HA       TYR   4  -6.795  -0.426  -4.424
   35    HB2  TYR   4           HB2      TYR   4  -5.363   1.363  -2.453
   36    HB3  TYR   4           HB1      TYR   4  -4.557   0.480  -3.747
   37    HD1  TYR   4           HD1      TYR   4  -5.562   0.869  -6.142
   38    HD2  TYR   4           HD2      TYR   4  -6.056   3.524  -2.858
   39    HE1  TYR   4           HE1      TYR   4  -6.045   2.697  -7.700
   40    HE2  TYR   4           HE2      TYR   4  -6.540   5.362  -4.411
   41    HH   TYR   4           HH       TYR   4  -7.296   4.895  -7.631
   42    H    ALA   5           HN       ALA   5  -4.583  -1.597  -3.859
   43    HA   ALA   5           HA       ALA   5  -4.534  -2.868  -1.280
   44    HB1  ALA   5           HB1      ALA   5  -5.141  -4.575  -3.695
   45    HB2  ALA   5           HB2      ALA   5  -6.285  -4.174  -2.414
   46    HB3  ALA   5           HB3      ALA   5  -4.857  -5.143  -2.048
   47    H    CYS   6           HN       CYS   6  -2.475  -2.995  -0.782
   48    HA   CYS   6           HA       CYS   6  -0.391  -3.029  -2.754
   49    HB2  CYS   6           HB2      CYS   6  -0.138  -1.948  -0.539
   50    HB3  CYS   6           HB1      CYS   6  -0.250  -3.537   0.224
   51    H    ASP   7           HN       ASP   7  -0.136  -4.821  -3.935
   52    HA   ASP   7           HA       ASP   7  -1.164  -7.337  -3.191
   53    HB2  ASP   7           HB2      ASP   7   0.712  -6.545  -5.419
   54    HB3  ASP   7           HB1      ASP   7   0.036  -8.161  -5.240
   55    H    SER   8           HN       SER   8   0.058  -9.351  -3.241
   56    HA   SER   8           HA       SER   8   1.641 -10.797  -2.537
   57    HB2  SER   8           HB2      SER   8   3.455  -8.397  -2.215
   58    HB3  SER   8           HB1      SER   8   3.952 -10.092  -2.151
   59    HG   SER   8           HG       SER   8   2.750 -10.040  -4.365
   60    H    CYS   9           HN       CYS   9   1.639  -7.822  -0.561
   61    HA   CYS   9           HA       CYS   9   1.890  -9.469   1.838
   62    HB2  CYS   9           HB2      CYS   9   1.554  -6.736   2.519
   63    HB3  CYS   9           HB1      CYS   9   3.031  -7.704   2.590
   64    H    GLY  10           HN       GLY  10  -0.467  -7.638   0.071
   65    HA2  GLY  10           HA2      GLY  10  -2.773  -7.939   0.189
   66    HA3  GLY  10           HA1      GLY  10  -2.561  -8.820   1.693
   67    H    ASP  11           HN       ASP  11  -1.356  -5.588   0.951
   68    HA   ASP  11           HA       ASP  11  -2.753  -4.616   3.332
   69    HB2  ASP  11           HB2      ASP  11  -0.836  -3.001   1.663
   70    HB3  ASP  11           HB1      ASP  11  -1.254  -2.796   3.358
   71    H    LYS  12           HN       LYS  12  -4.857  -4.363   2.600
   72    HA   LYS  12           HA       LYS  12  -5.275  -2.831   0.164
   73    HB2  LYS  12           HB2      LYS  12  -7.718  -3.346   0.564
   74    HB3  LYS  12           HB1      LYS  12  -6.680  -4.724   0.241
   75    HG2  LYS  12           HG2      LYS  12  -7.177  -3.999   3.074
   76    HG3  LYS  12           HG1      LYS  12  -8.492  -4.736   2.159
   77    HD2  LYS  12           HD2      LYS  12  -7.090  -6.640   1.619
   78    HD3  LYS  12           HD1      LYS  12  -5.720  -5.895   2.440
   79    HE2  LYS  12           HE2      LYS  12  -8.312  -6.789   3.694
   80    HE3  LYS  12           HE1      LYS  12  -6.737  -7.563   3.870
   81    HZ1  LYS  12           HZ1      LYS  12  -5.925  -5.542   4.949
   82    HZ2  LYS  12           HZ2      LYS  12  -7.238  -6.212   5.788
   83    HZ3  LYS  12           HZ3      LYS  12  -7.463  -4.841   4.818
   84    H    PHE  13           HN       PHE  13  -5.022  -0.750   0.418
   85    HA   PHE  13           HA       PHE  13  -6.167   0.602   2.754
   86    HB2  PHE  13           HB2      PHE  13  -4.190   1.522   0.651
   87    HB3  PHE  13           HB1      PHE  13  -4.865   2.587   1.887
   88    HD1  PHE  13           HD1      PHE  13  -3.991   2.610   4.077
   89    HD2  PHE  13           HD2      PHE  13  -2.751  -0.384   1.327
   90    HE1  PHE  13           HE1      PHE  13  -2.211   1.930   5.630
   91    HE2  PHE  13           HE2      PHE  13  -0.963  -1.069   2.870
   92    HZ   PHE  13           HZ       PHE  13  -0.655   0.150   5.011
   93    H    LEU  14           HN       LEU  14  -7.666   2.275   2.522
   94    HA   LEU  14           HA       LEU  14  -8.987   2.455  -0.075
   95    HB2  LEU  14           HB2      LEU  14 -10.707   3.771   1.076
   96    HB3  LEU  14           HB1      LEU  14 -10.456   2.217   1.837
   97    HG   LEU  14           HG       LEU  14  -9.118   4.673   2.933
   98   HD11  LEU  14          HD11      LEU  14 -11.907   3.701   3.547
   99   HD12  LEU  14          HD12      LEU  14 -11.486   5.215   2.746
  100   HD13  LEU  14          HD13      LEU  14 -11.036   4.954   4.432
  101   HD21  LEU  14          HD21      LEU  14  -9.225   3.404   5.015
  102   HD22  LEU  14          HD22      LEU  14  -8.411   2.471   3.760
  103   HD23  LEU  14          HD23      LEU  14 -10.081   2.102   4.190
  104    H    ASP  15           HN       ASP  15  -6.486   3.834   1.465
  105    HA   ASP  15           HA       ASP  15  -6.806   6.547   0.464
  106    HB2  ASP  15           HB2      ASP  15  -4.359   5.289   1.726
  107    HB3  ASP  15           HB1      ASP  15  -4.732   7.003   1.587
  108    H    ALA  16           HN       ALA  16  -5.307   7.459  -1.095
  109    HA   ALA  16           HA       ALA  16  -4.467   5.419  -3.048
  110    HB1  ALA  16           HB1      ALA  16  -4.753   8.416  -3.358
  111    HB2  ALA  16           HB2      ALA  16  -5.936   7.213  -3.870
  112    HB3  ALA  16           HB3      ALA  16  -4.351   7.274  -4.641
  113    H    ASN  17           HN       ASN  17  -3.433   8.451  -1.691
  114    HA   ASN  17           HA       ASN  17  -0.755   8.407  -2.390
  115    HB2  ASN  17           HB2      ASN  17  -1.991  10.354  -1.591
  116    HB3  ASN  17           HB1      ASN  17  -2.160   9.607  -0.008
  117   HD21  ASN  17          HD21      ASN  17   0.065  11.076  -2.268
  118   HD22  ASN  17          HD22      ASN  17   1.313  11.433  -1.122
  119    H    SER  18           HN       SER  18  -2.349   7.293   0.577
  120    HA   SER  18           HA       SER  18   0.047   6.592   1.908
  121    HB2  SER  18           HB2      SER  18  -2.734   5.546   2.476
  122    HB3  SER  18           HB1      SER  18  -1.379   5.657   3.603
  123    HG   SER  18           HG       SER  18  -2.676   7.420   3.974
  124    H    LEU  19           HN       LEU  19  -1.978   4.923  -0.353
  125    HA   LEU  19           HA       LEU  19  -0.983   2.299   0.204
  126    HB2  LEU  19           HB2      LEU  19  -3.138   2.741  -0.926
  127    HB3  LEU  19           HB1      LEU  19  -2.268   3.413  -2.289
  128    HG   LEU  19           HG       LEU  19  -3.191   1.008  -2.431
  129   HD11  LEU  19          HD11      LEU  19  -0.334   1.531  -3.197
  130   HD12  LEU  19          HD12      LEU  19  -1.758   2.004  -4.123
  131   HD13  LEU  19          HD13      LEU  19  -1.394   0.296  -3.878
  132   HD21  LEU  19          HD21      LEU  19  -1.732  -0.746  -1.657
  133   HD22  LEU  19          HD22      LEU  19  -2.242   0.243  -0.289
  134   HD23  LEU  19          HD23      LEU  19  -0.622   0.436  -0.965
  135    H    ALA  20           HN       ALA  20  -0.474   4.557  -2.475
  136    HA   ALA  20           HA       ALA  20   1.686   3.276  -3.683
  137    HB1  ALA  20           HB1      ALA  20   2.148   5.404  -4.760
  138    HB2  ALA  20           HB2      ALA  20   1.150   6.250  -3.576
  139    HB3  ALA  20           HB3      ALA  20   0.409   5.111  -4.702
  140    H    GLN  21           HN       GLN  21   1.718   5.631  -0.996
  141    HA   GLN  21           HA       GLN  21   4.565   5.742  -0.897
  142    HB2  GLN  21           HB2      GLN  21   4.355   7.073   0.978
  143    HB3  GLN  21           HB1      GLN  21   2.811   7.353   0.183
  144    HG2  GLN  21           HG2      GLN  21   1.693   5.866   1.672
  145    HG3  GLN  21           HG1      GLN  21   3.228   5.326   2.363
  146   HE21  GLN  21          HE21      GLN  21   0.942   6.472   3.709
  147   HE22  GLN  21          HE22      GLN  21   1.512   7.911   4.510
  148    H    HIS  22           HN       HIS  22   2.191   3.529   0.279
  149    HA   HIS  22           HA       HIS  22   3.860   2.271   2.234
  150    HB2  HIS  22           HB2      HIS  22   1.529   1.979   2.576
  151    HB3  HIS  22           HB1      HIS  22   1.267   1.479   0.902
  152    HD1  HIS  22           HD1      HIS  22   2.505   0.149   4.213
  153    HD2  HIS  22           HD2      HIS  22   1.715  -1.166   0.353
  154    HE1  HIS  22           HE1      HIS  22   2.673  -2.368   4.277
  155    H    VAL  23           HN       VAL  23   3.078   1.675  -1.167
  156    HA   VAL  23           HA       VAL  23   4.718  -0.642  -1.340
  157    HB   VAL  23           HB       VAL  23   4.731   0.452  -3.902
  158   HG11  VAL  23          HG11      VAL  23   2.706  -1.424  -2.692
  159   HG12  VAL  23          HG12      VAL  23   4.324  -1.897  -3.220
  160   HG13  VAL  23          HG13      VAL  23   3.146  -1.312  -4.397
  161   HG21  VAL  23          HG21      VAL  23   2.069   0.931  -2.607
  162   HG22  VAL  23          HG22      VAL  23   2.426   1.057  -4.330
  163   HG23  VAL  23          HG23      VAL  23   3.172   2.178  -3.190
  164    H    ARG  24           HN       ARG  24   5.340   2.733  -1.236
  165    HA   ARG  24           HA       ARG  24   8.030   2.634  -2.195
  166    HB2  ARG  24           HB2      ARG  24   6.762   4.575  -0.259
  167    HB3  ARG  24           HB1      ARG  24   8.329   4.780  -1.027
  168    HG2  ARG  24           HG2      ARG  24   7.071   4.689  -3.242
  169    HG3  ARG  24           HG1      ARG  24   5.611   4.916  -2.277
  170    HD2  ARG  24           HD2      ARG  24   7.943   6.767  -2.634
  171    HD3  ARG  24           HD1      ARG  24   6.233   7.082  -2.914
  172    HE   ARG  24           HE       ARG  24   6.815   6.488  -0.169
  173   HH11  ARG  24          HH11      ARG  24   6.847   9.024  -2.576
  174   HH12  ARG  24          HH12      ARG  24   6.719  10.310  -1.418
  175   HH21  ARG  24          HH21      ARG  24   6.699   8.183   1.373
  176   HH22  ARG  24          HH22      ARG  24   6.680   9.834   0.827
  177    H    ILE  25           HN       ILE  25   6.526   2.441   1.063
  178    HA   ILE  25           HA       ILE  25   8.917   2.390   2.495
  179    HB   ILE  25           HB       ILE  25   7.799   1.551   4.388
  180   HG12  ILE  25          HG12      ILE  25   5.492   0.613   2.667
  181   HG13  ILE  25          HG11      ILE  25   6.802  -0.438   3.190
  182   HG21  ILE  25          HG21      ILE  25   7.083   3.769   3.736
  183   HG22  ILE  25          HG22      ILE  25   5.758   2.895   4.505
  184   HG23  ILE  25          HG23      ILE  25   5.789   3.085   2.753
  185   HD11  ILE  25          HD11      ILE  25   4.870   1.013   4.973
  186   HD12  ILE  25          HD12      ILE  25   6.210   0.004   5.521
  187   HD13  ILE  25          HD13      ILE  25   4.881  -0.713   4.608
  188    H    HIS  26           HN       HIS  26   7.361  -0.131   0.677
  189    HA   HIS  26           HA       HIS  26   8.837  -2.313   1.722
  190    HB2  HIS  26           HB2      HIS  26   7.367  -1.917  -0.882
  191    HB3  HIS  26           HB1      HIS  26   8.206  -3.414  -0.492
  192    HD1  HIS  26           HD1      HIS  26   7.389  -4.384   2.041
  193    HD2  HIS  26           HD2      HIS  26   4.771  -1.997  -0.173
  194    HE1  HIS  26           HE1      HIS  26   5.070  -4.786   2.986
  195    H    THR  27           HN       THR  27   9.578   0.175  -0.539
  196    HA   THR  27           HA       THR  27  11.854  -1.170  -1.700
  197    HB   THR  27           HB       THR  27  11.157   1.771  -1.809
  198    HG1  THR  27           HG1      THR  27  10.301  -0.401  -3.451
  199   HG21  THR  27          HG21      THR  27  13.433   1.181  -2.531
  200   HG22  THR  27          HG22      THR  27  12.446   1.757  -3.874
  201   HG23  THR  27          HG23      THR  27  12.759   0.033  -3.682
  202    H    ALA  28           HN       ALA  28  11.227   1.270   0.759
  203    HA   ALA  28           HA       ALA  28  13.999   1.917   1.141
  204    HB1  ALA  28           HB1      ALA  28  12.233   3.579   1.482
  205    HB2  ALA  28           HB2      ALA  28  13.204   3.355   2.938
  206    HB3  ALA  28           HB3      ALA  28  11.599   2.629   2.826
  207    H    GLN  29           HN       GLN  29  11.548   0.370   3.226
  208    HA   GLN  29           HA       GLN  29  13.474  -1.426   4.347
  209    HB2  GLN  29           HB2      GLN  29  14.045   0.620   5.570
  210    HB3  GLN  29           HB1      GLN  29  12.368   0.804   6.067
  211    HG2  GLN  29           HG2      GLN  29  12.487  -1.173   7.413
  212    HG3  GLN  29           HG1      GLN  29  14.097  -1.545   6.797
  213   HE21  GLN  29          HE21      GLN  29  12.232   0.525   8.885
  214   HE22  GLN  29          HE22      GLN  29  13.582   1.186   9.762
  Start of MODEL   13
    1    H1   HIS   1           HT1      HIS   1 -12.160  -2.816   5.014
    2    H2   HIS   1           HT2      HIS   1 -13.293  -2.392   3.830
    3    H3   HIS   1           HT3      HIS   1 -13.280  -1.575   5.313
    4    HA   HIS   1           HA       HIS   1 -12.314  -0.261   3.531
    5    HB2  HIS   1           HB2      HIS   1 -10.263   0.380   4.721
    6    HB3  HIS   1           HB1      HIS   1 -11.590   0.122   5.839
    7    HD1  HIS   1           HD1      HIS   1 -11.276  -1.654   7.646
    8    HD2  HIS   1           HD2      HIS   1  -8.190  -1.566   4.851
    9    HE1  HIS   1           HE1      HIS   1  -9.449  -3.094   8.596
   10    HE2  HIS   1           HE2      HIS   1  -7.522  -2.842   6.995
   11    H    ILE   2           HN       ILE   2 -12.296  -2.861   2.349
   12    HA   ILE   2           HA       ILE   2  -9.520  -3.287   1.538
   13    HB   ILE   2           HB       ILE   2 -10.335  -5.303   0.397
   14   HG12  ILE   2          HG12      ILE   2 -13.049  -4.631   1.567
   15   HG13  ILE   2          HG11      ILE   2 -12.619  -4.425  -0.134
   16   HG21  ILE   2          HG21      ILE   2 -10.975  -6.566   2.412
   17   HG22  ILE   2          HG22      ILE   2 -11.238  -5.041   3.262
   18   HG23  ILE   2          HG23      ILE   2  -9.623  -5.470   2.699
   19   HD11  ILE   2          HD11      ILE   2 -13.866  -6.474   0.219
   20   HD12  ILE   2          HD12      ILE   2 -12.656  -7.030   1.374
   21   HD13  ILE   2          HD13      ILE   2 -12.225  -6.823  -0.324
   22    H    LEU   3           HN       LEU   3 -10.361  -0.890   0.664
   23    HA   LEU   3           HA       LEU   3 -11.597  -1.045  -1.934
   24    HB2  LEU   3           HB2      LEU   3 -11.685   0.875  -0.162
   25    HB3  LEU   3           HB1      LEU   3 -10.156   1.361  -0.862
   26    HG   LEU   3           HG       LEU   3 -12.120   2.609  -1.750
   27   HD11  LEU   3          HD11      LEU   3 -11.501   2.470  -4.095
   28   HD12  LEU   3          HD12      LEU   3 -10.668   0.943  -3.794
   29   HD13  LEU   3          HD13      LEU   3 -10.069   2.434  -3.065
   30   HD21  LEU   3          HD21      LEU   3 -13.639   1.499  -3.290
   31   HD22  LEU   3          HD22      LEU   3 -13.726   0.767  -1.689
   32   HD23  LEU   3          HD23      LEU   3 -12.843  -0.044  -2.981
   33    H    TYR   4           HN       TYR   4  -8.414   0.000  -0.732
   34    HA   TYR   4           HA       TYR   4  -7.317  -0.600  -3.395
   35    HB2  TYR   4           HB2      TYR   4  -6.432   1.325  -1.255
   36    HB3  TYR   4           HB1      TYR   4  -5.352   0.811  -2.547
   37    HD1  TYR   4           HD1      TYR   4  -6.422   1.003  -4.979
   38    HD2  TYR   4           HD2      TYR   4  -7.646   3.241  -1.578
   39    HE1  TYR   4           HE1      TYR   4  -7.366   2.726  -6.460
   40    HE2  TYR   4           HE2      TYR   4  -8.590   4.969  -3.043
   41    HH   TYR   4           HH       TYR   4  -9.104   4.500  -6.354
   42    H    ALA   5           HN       ALA   5  -5.384  -1.790  -3.565
   43    HA   ALA   5           HA       ALA   5  -4.659  -3.261  -1.124
   44    HB1  ALA   5           HB1      ALA   5  -4.625  -5.352  -2.355
   45    HB2  ALA   5           HB2      ALA   5  -5.136  -4.515  -3.821
   46    HB3  ALA   5           HB3      ALA   5  -6.223  -4.611  -2.437
   47    H    CYS   6           HN       CYS   6  -2.590  -3.157  -0.723
   48    HA   CYS   6           HA       CYS   6  -0.606  -2.605  -2.750
   49    HB2  CYS   6           HB2      CYS   6  -0.315  -1.766  -0.467
   50    HB3  CYS   6           HB1      CYS   6  -0.344  -3.409   0.157
   51    H    ASP   7           HN       ASP   7   0.143  -4.148  -4.062
   52    HA   ASP   7           HA       ASP   7  -0.808  -6.792  -3.912
   53    HB2  ASP   7           HB2      ASP   7  -0.304  -5.645  -6.032
   54    HB3  ASP   7           HB1      ASP   7   1.409  -5.658  -5.630
   55    H    SER   8           HN       SER   8   0.413  -8.736  -3.891
   56    HA   SER   8           HA       SER   8   1.822 -10.281  -3.139
   57    HB2  SER   8           HB2      SER   8   4.161  -9.877  -2.796
   58    HB3  SER   8           HB1      SER   8   3.625  -8.952  -4.195
   59    HG   SER   8           HG       SER   8   3.358  -7.232  -2.372
   60    H    CYS   9           HN       CYS   9   1.583  -7.467  -1.003
   61    HA   CYS   9           HA       CYS   9   1.806  -9.303   1.278
   62    HB2  CYS   9           HB2      CYS   9   1.384  -6.625   2.146
   63    HB3  CYS   9           HB1      CYS   9   2.864  -7.584   2.256
   64    H    GLY  10           HN       GLY  10  -0.448  -7.289  -0.444
   65    HA2  GLY  10           HA2      GLY  10  -2.743  -7.631  -0.557
   66    HA3  GLY  10           HA1      GLY  10  -2.630  -8.709   0.825
   67    H    ASP  11           HN       ASP  11  -1.213  -5.550   0.998
   68    HA   ASP  11           HA       ASP  11  -2.651  -4.934   3.361
   69    HB2  ASP  11           HB2      ASP  11  -1.132  -2.971   1.641
   70    HB3  ASP  11           HB1      ASP  11  -1.460  -2.856   3.364
   71    H    LYS  12           HN       LYS  12  -4.590  -4.005   3.607
   72    HA   LYS  12           HA       LYS  12  -5.928  -3.019   1.189
   73    HB2  LYS  12           HB2      LYS  12  -7.093  -3.848   3.852
   74    HB3  LYS  12           HB1      LYS  12  -8.024  -3.343   2.450
   75    HG2  LYS  12           HG2      LYS  12  -6.309  -5.803   2.700
   76    HG3  LYS  12           HG1      LYS  12  -8.068  -5.730   2.594
   77    HD2  LYS  12           HD2      LYS  12  -7.814  -4.698   0.335
   78    HD3  LYS  12           HD1      LYS  12  -6.078  -4.992   0.457
   79    HE2  LYS  12           HE2      LYS  12  -8.285  -7.042   0.429
   80    HE3  LYS  12           HE1      LYS  12  -7.065  -6.772  -0.813
   81    HZ1  LYS  12           HZ1      LYS  12  -6.253  -8.585   0.320
   82    HZ2  LYS  12           HZ2      LYS  12  -6.781  -8.035   1.833
   83    HZ3  LYS  12           HZ3      LYS  12  -5.431  -7.318   1.096
   84    H    PHE  13           HN       PHE  13  -5.595  -0.907   0.936
   85    HA   PHE  13           HA       PHE  13  -5.942   0.891   3.238
   86    HB2  PHE  13           HB2      PHE  13  -4.742   1.379   0.502
   87    HB3  PHE  13           HB1      PHE  13  -4.939   2.622   1.744
   88    HD1  PHE  13           HD1      PHE  13  -3.695   2.399   3.894
   89    HD2  PHE  13           HD2      PHE  13  -2.934  -0.108   0.545
   90    HE1  PHE  13           HE1      PHE  13  -1.514   1.792   4.848
   91    HE2  PHE  13           HE2      PHE  13  -0.755  -0.723   1.495
   92    HZ   PHE  13           HZ       PHE  13  -0.066   0.207   3.687
   93    H    LEU  14           HN       LEU  14  -7.032   3.017   2.681
   94    HA   LEU  14           HA       LEU  14  -9.306   2.569   0.854
   95    HB2  LEU  14           HB2      LEU  14  -9.898   2.965   3.229
   96    HB3  LEU  14           HB1      LEU  14  -9.055   4.500   3.171
   97    HG   LEU  14           HG       LEU  14 -10.674   5.247   1.408
   98   HD11  LEU  14          HD11      LEU  14 -12.753   4.015   1.152
   99   HD12  LEU  14          HD12      LEU  14 -12.133   2.732   2.192
  100   HD13  LEU  14          HD13      LEU  14 -11.375   3.046   0.630
  101   HD21  LEU  14          HD21      LEU  14 -11.853   4.445   4.065
  102   HD22  LEU  14          HD22      LEU  14 -12.500   5.668   2.974
  103   HD23  LEU  14          HD23      LEU  14 -10.930   5.914   3.740
  104    H    ASP  15           HN       ASP  15  -6.379   4.054   1.111
  105    HA   ASP  15           HA       ASP  15  -7.126   6.234  -0.729
  106    HB2  ASP  15           HB2      ASP  15  -5.008   6.270   1.440
  107    HB3  ASP  15           HB1      ASP  15  -5.238   7.541   0.242
  108    H    ALA  16           HN       ALA  16  -5.474   6.844  -2.245
  109    HA   ALA  16           HA       ALA  16  -3.904   4.519  -3.090
  110    HB1  ALA  16           HB1      ALA  16  -5.341   5.575  -4.772
  111    HB2  ALA  16           HB2      ALA  16  -3.639   5.730  -5.209
  112    HB3  ALA  16           HB3      ALA  16  -4.506   7.109  -4.530
  113    H    ASN  17           HN       ASN  17  -3.710   7.834  -2.127
  114    HA   ASN  17           HA       ASN  17  -1.031   8.419  -2.343
  115    HB2  ASN  17           HB2      ASN  17  -2.576  10.088  -1.650
  116    HB3  ASN  17           HB1      ASN  17  -3.104   9.125  -0.276
  117   HD21  ASN  17          HD21      ASN  17  -0.480  11.044  -1.585
  118   HD22  ASN  17          HD22      ASN  17   0.279  11.379  -0.062
  119    H    SER  18           HN       SER  18  -2.694   6.805   0.352
  120    HA   SER  18           HA       SER  18  -0.261   6.350   1.798
  121    HB2  SER  18           HB2      SER  18  -3.001   5.131   2.210
  122    HB3  SER  18           HB1      SER  18  -1.673   5.137   3.373
  123    HG   SER  18           HG       SER  18  -1.847   7.576   2.961
  124    H    LEU  19           HN       LEU  19  -1.914   4.752  -0.712
  125    HA   LEU  19           HA       LEU  19  -0.933   2.102  -0.259
  126    HB2  LEU  19           HB2      LEU  19  -2.860   3.018  -1.813
  127    HB3  LEU  19           HB1      LEU  19  -1.558   3.212  -2.968
  128    HG   LEU  19           HG       LEU  19  -2.430   0.634  -1.709
  129   HD11  LEU  19          HD11      LEU  19  -2.641   1.544  -4.562
  130   HD12  LEU  19          HD12      LEU  19  -3.960   1.608  -3.398
  131   HD13  LEU  19          HD13      LEU  19  -3.280   0.051  -3.871
  132   HD21  LEU  19          HD21      LEU  19  -0.038   0.587  -2.133
  133   HD22  LEU  19          HD22      LEU  19  -0.315   1.126  -3.791
  134   HD23  LEU  19          HD23      LEU  19  -0.894  -0.457  -3.269
  135    H    ALA  20           HN       ALA  20  -0.195   4.521  -2.686
  136    HA   ALA  20           HA       ALA  20   2.112   3.444  -3.754
  137    HB1  ALA  20           HB1      ALA  20   0.901   5.308  -4.759
  138    HB2  ALA  20           HB2      ALA  20   2.618   5.679  -4.593
  139    HB3  ALA  20           HB3      ALA  20   1.450   6.375  -3.467
  140    H    GLN  21           HN       GLN  21   1.910   5.740  -1.003
  141    HA   GLN  21           HA       GLN  21   4.709   5.957  -0.652
  142    HB2  GLN  21           HB2      GLN  21   4.263   7.000   1.417
  143    HB3  GLN  21           HB1      GLN  21   2.876   7.412   0.412
  144    HG2  GLN  21           HG2      GLN  21   1.510   5.801   1.489
  145    HG3  GLN  21           HG1      GLN  21   2.903   5.091   2.317
  146   HE21  GLN  21          HE21      GLN  21   4.089   7.630   3.008
  147   HE22  GLN  21          HE22      GLN  21   3.105   8.312   4.276
  148    H    HIS  22           HN       HIS  22   2.382   3.563   0.222
  149    HA   HIS  22           HA       HIS  22   3.985   2.311   2.241
  150    HB2  HIS  22           HB2      HIS  22   1.640   2.098   2.517
  151    HB3  HIS  22           HB1      HIS  22   1.416   1.563   0.850
  152    HD1  HIS  22           HD1      HIS  22   2.537   0.288   4.226
  153    HD2  HIS  22           HD2      HIS  22   1.751  -1.085   0.383
  154    HE1  HIS  22           HE1      HIS  22   2.550  -2.235   4.363
  155    H    VAL  23           HN       VAL  23   3.288   1.719  -1.193
  156    HA   VAL  23           HA       VAL  23   4.877  -0.620  -1.348
  157    HB   VAL  23           HB       VAL  23   5.125   0.726  -3.822
  158   HG11  VAL  23          HG11      VAL  23   3.659  -1.093  -4.595
  159   HG12  VAL  23          HG12      VAL  23   3.315  -1.499  -2.912
  160   HG13  VAL  23          HG13      VAL  23   4.955  -1.667  -3.544
  161   HG21  VAL  23          HG21      VAL  23   3.346   2.226  -3.132
  162   HG22  VAL  23          HG22      VAL  23   2.330   0.845  -2.712
  163   HG23  VAL  23          HG23      VAL  23   2.780   1.131  -4.396
  164    H    ARG  24           HN       ARG  24   5.577   2.720  -1.129
  165    HA   ARG  24           HA       ARG  24   8.324   2.535  -1.924
  166    HB2  ARG  24           HB2      ARG  24   6.907   4.629  -0.280
  167    HB3  ARG  24           HB1      ARG  24   8.546   4.770  -0.915
  168    HG2  ARG  24           HG2      ARG  24   7.647   4.554  -3.207
  169    HG3  ARG  24           HG1      ARG  24   6.016   4.536  -2.535
  170    HD2  ARG  24           HD2      ARG  24   6.391   6.766  -1.597
  171    HD3  ARG  24           HD1      ARG  24   8.015   6.780  -2.289
  172    HE   ARG  24           HE       ARG  24   5.851   6.328  -4.167
  173   HH11  ARG  24          HH11      ARG  24   7.998   8.659  -2.679
  174   HH12  ARG  24          HH12      ARG  24   7.794   9.840  -3.939
  175   HH21  ARG  24          HH21      ARG  24   5.563   7.874  -5.813
  176   HH22  ARG  24          HH22      ARG  24   6.410   9.387  -5.727
  177    H    ILE  25           HN       ILE  25   6.554   2.453   1.201
  178    HA   ILE  25           HA       ILE  25   8.886   2.413   2.742
  179    HB   ILE  25           HB       ILE  25   7.683   1.615   4.609
  180   HG12  ILE  25          HG12      ILE  25   5.446   0.696   2.795
  181   HG13  ILE  25          HG11      ILE  25   6.710  -0.370   3.399
  182   HG21  ILE  25          HG21      ILE  25   5.805   3.179   2.854
  183   HG22  ILE  25          HG22      ILE  25   7.019   3.831   3.954
  184   HG23  ILE  25          HG23      ILE  25   5.620   2.969   4.595
  185   HD11  ILE  25          HD11      ILE  25   4.698  -0.584   4.715
  186   HD12  ILE  25          HD12      ILE  25   4.720   1.145   5.066
  187   HD13  ILE  25          HD13      ILE  25   5.998   0.103   5.691
  188    H    HIS  26           HN       HIS  26   7.381  -0.040   0.827
  189    HA   HIS  26           HA       HIS  26   8.911  -2.247   1.838
  190    HB2  HIS  26           HB2      HIS  26   7.397  -1.880  -0.759
  191    HB3  HIS  26           HB1      HIS  26   8.187  -3.378  -0.293
  192    HD1  HIS  26           HD1      HIS  26   7.235  -4.244   2.262
  193    HD2  HIS  26           HD2      HIS  26   4.797  -1.893  -0.172
  194    HE1  HIS  26           HE1      HIS  26   4.839  -4.636   3.022
  195    H    THR  27           HN       THR  27   9.215   0.034  -0.828
  196    HA   THR  27           HA       THR  27  11.418  -1.305  -2.058
  197    HB   THR  27           HB       THR  27  10.550   1.564  -2.473
  198    HG1  THR  27           HG1      THR  27   8.891  -0.180  -2.785
  199   HG21  THR  27          HG21      THR  27  12.021  -0.366  -4.271
  200   HG22  THR  27          HG22      THR  27  12.740   1.002  -3.420
  201   HG23  THR  27          HG23      THR  27  11.546   1.282  -4.686
  202    H    ALA  28           HN       ALA  28  11.090   1.667  -0.156
  203    HA   ALA  28           HA       ALA  28  12.478   2.816   1.196
  204    HB1  ALA  28           HB1      ALA  28  14.271   1.683   2.337
  205    HB2  ALA  28           HB2      ALA  28  14.229   0.366   1.164
  206    HB3  ALA  28           HB3      ALA  28  12.860   0.627   2.247
  207    H    GLN  29           HN       GLN  29  15.019   0.982  -0.461
  208    HA   GLN  29           HA       GLN  29  15.912   3.497  -1.693
  209    HB2  GLN  29           HB2      GLN  29  17.361   2.897   0.203
  210    HB3  GLN  29           HB1      GLN  29  17.642   1.314  -0.507
  211    HG2  GLN  29           HG2      GLN  29  18.708   2.412  -2.445
  212    HG3  GLN  29           HG1      GLN  29  18.491   3.969  -1.645
  213   HE21  GLN  29          HE21      GLN  29  19.760   4.489   0.113
  214   HE22  GLN  29          HE22      GLN  29  21.172   3.590   0.553
  Start of MODEL   14
    1    H1   HIS   1           HT1      HIS   1 -13.821  -1.090   3.123
    2    H2   HIS   1           HT2      HIS   1 -14.219  -2.660   2.615
    3    H3   HIS   1           HT3      HIS   1 -15.367  -1.419   2.504
    4    HA   HIS   1           HA       HIS   1 -14.422  -1.929   0.346
    5    HB2  HIS   1           HB2      HIS   1 -13.726   0.752   1.550
    6    HB3  HIS   1           HB1      HIS   1 -13.493   0.400  -0.157
    7    HD1  HIS   1           HD1      HIS   1 -15.497   0.611  -1.664
    8    HD2  HIS   1           HD2      HIS   1 -16.490   0.749   2.379
    9    HE1  HIS   1           HE1      HIS   1 -17.926   1.257  -1.574
   10    HE2  HIS   1           HE2      HIS   1 -18.501   1.370   0.874
   11    H    ILE   2           HN       ILE   2 -12.662  -2.254  -0.963
   12    HA   ILE   2           HA       ILE   2 -10.010  -2.005   0.289
   13    HB   ILE   2           HB       ILE   2  -9.329  -4.041  -1.061
   14   HG12  ILE   2          HG12      ILE   2 -12.311  -4.555  -1.114
   15   HG13  ILE   2          HG11      ILE   2 -11.365  -4.043  -2.517
   16   HG21  ILE   2          HG21      ILE   2 -10.164  -5.624   0.616
   17   HG22  ILE   2          HG22      ILE   2 -11.303  -4.401   1.182
   18   HG23  ILE   2          HG23      ILE   2  -9.566  -4.132   1.339
   19   HD11  ILE   2          HD11      ILE   2 -10.968  -6.594  -0.967
   20   HD12  ILE   2          HD12      ILE   2 -10.062  -6.089  -2.392
   21   HD13  ILE   2          HD13      ILE   2 -11.783  -6.442  -2.523
   22    H    LEU   3           HN       LEU   3 -10.168   0.069  -0.855
   23    HA   LEU   3           HA       LEU   3 -10.563   0.187  -3.657
   24    HB2  LEU   3           HB2      LEU   3 -10.552   2.013  -1.641
   25    HB3  LEU   3           HB1      LEU   3  -9.016   2.363  -2.410
   26    HG   LEU   3           HG       LEU   3 -11.730   2.426  -3.739
   27   HD11  LEU   3          HD11      LEU   3 -11.283   4.824  -3.944
   28   HD12  LEU   3          HD12      LEU   3  -9.785   4.619  -3.035
   29   HD13  LEU   3          HD13      LEU   3 -11.336   4.308  -2.257
   30   HD21  LEU   3          HD21      LEU   3 -10.533   3.294  -5.696
   31   HD22  LEU   3          HD22      LEU   3 -10.047   1.647  -5.303
   32   HD23  LEU   3          HD23      LEU   3  -8.998   2.999  -4.880
   33    H    TYR   4           HN       TYR   4  -7.579   0.833  -1.785
   34    HA   TYR   4           HA       TYR   4  -6.081  -0.054  -4.157
   35    HB2  TYR   4           HB2      TYR   4  -5.419   2.102  -2.158
   36    HB3  TYR   4           HB1      TYR   4  -4.234   1.434  -3.273
   37    HD1  TYR   4           HD1      TYR   4  -4.700   1.570  -5.738
   38    HD2  TYR   4           HD2      TYR   4  -6.914   3.792  -2.872
   39    HE1  TYR   4           HE1      TYR   4  -5.469   3.071  -7.511
   40    HE2  TYR   4           HE2      TYR   4  -7.688   5.313  -4.643
   41    HH   TYR   4           HH       TYR   4  -7.220   4.620  -7.993
   42    H    ALA   5           HN       ALA   5  -5.278  -1.992  -3.827
   43    HA   ALA   5           HA       ALA   5  -4.544  -2.804  -1.113
   44    HB1  ALA   5           HB1      ALA   5  -6.149  -4.231  -2.274
   45    HB2  ALA   5           HB2      ALA   5  -4.643  -5.093  -1.968
   46    HB3  ALA   5           HB3      ALA   5  -4.994  -4.480  -3.583
   47    H    CYS   6           HN       CYS   6  -2.550  -3.391  -0.565
   48    HA   CYS   6           HA       CYS   6  -0.362  -2.852  -2.366
   49    HB2  CYS   6           HB2      CYS   6   0.057  -2.200  -0.127
   50    HB3  CYS   6           HB1      CYS   6  -0.544  -3.727   0.522
   51    H    ASP   7           HN       ASP   7  -0.189  -4.320  -3.936
   52    HA   ASP   7           HA       ASP   7  -1.061  -6.977  -3.787
   53    HB2  ASP   7           HB2      ASP   7  -0.802  -5.641  -5.878
   54    HB3  ASP   7           HB1      ASP   7   0.942  -5.806  -5.724
   55    H    SER   8           HN       SER   8   0.017  -8.917  -3.701
   56    HA   SER   8           HA       SER   8   1.631 -10.456  -3.338
   57    HB2  SER   8           HB2      SER   8   3.129  -9.049  -4.734
   58    HB3  SER   8           HB1      SER   8   3.627  -8.185  -3.276
   59    HG   SER   8           HG       SER   8   5.098  -9.844  -3.785
   60    H    CYS   9           HN       CYS   9   1.847  -7.550  -1.311
   61    HA   CYS   9           HA       CYS   9   2.609  -9.280   0.920
   62    HB2  CYS   9           HB2      CYS   9   3.993  -7.587   1.336
   63    HB3  CYS   9           HB1      CYS   9   3.129  -6.482   0.273
   64    H    GLY  10           HN       GLY  10  -0.039  -7.185  -0.139
   65    HA2  GLY  10           HA2      GLY  10  -2.232  -8.036   0.088
   66    HA3  GLY  10           HA1      GLY  10  -1.708  -8.960   1.477
   67    H    ASP  11           HN       ASP  11  -1.258  -5.453   1.042
   68    HA   ASP  11           HA       ASP  11  -2.961  -5.089   3.407
   69    HB2  ASP  11           HB2      ASP  11  -1.224  -2.994   2.074
   70    HB3  ASP  11           HB1      ASP  11  -2.018  -2.880   3.641
   71    H    LYS  12           HN       LYS  12  -4.426  -3.143   3.377
   72    HA   LYS  12           HA       LYS  12  -5.460  -2.560   0.711
   73    HB2  LYS  12           HB2      LYS  12  -7.825  -3.001   1.600
   74    HB3  LYS  12           HB1      LYS  12  -6.845  -4.396   1.173
   75    HG2  LYS  12           HG2      LYS  12  -6.966  -3.412   4.004
   76    HG3  LYS  12           HG1      LYS  12  -8.225  -4.460   3.348
   77    HD2  LYS  12           HD2      LYS  12  -5.301  -5.154   3.208
   78    HD3  LYS  12           HD1      LYS  12  -6.316  -5.602   4.582
   79    HE2  LYS  12           HE2      LYS  12  -7.778  -6.867   3.122
   80    HE3  LYS  12           HE1      LYS  12  -6.851  -6.359   1.713
   81    HZ1  LYS  12           HZ1      LYS  12  -6.310  -8.625   2.516
   82    HZ2  LYS  12           HZ2      LYS  12  -5.721  -7.946   3.955
   83    HZ3  LYS  12           HZ3      LYS  12  -4.968  -7.589   2.481
   84    H    PHE  13           HN       PHE  13  -5.253  -0.451   0.671
   85    HA   PHE  13           HA       PHE  13  -6.094   1.134   2.991
   86    HB2  PHE  13           HB2      PHE  13  -4.426   1.857   0.569
   87    HB3  PHE  13           HB1      PHE  13  -4.922   3.011   1.812
   88    HD1  PHE  13           HD1      PHE  13  -3.724   3.217   3.814
   89    HD2  PHE  13           HD2      PHE  13  -2.965  -0.073   1.231
   90    HE1  PHE  13           HE1      PHE  13  -1.750   2.627   5.153
   91    HE2  PHE  13           HE2      PHE  13  -0.985  -0.668   2.566
   92    HZ   PHE  13           HZ       PHE  13  -0.376   0.683   4.532
   93    H    LEU  14           HN       LEU  14  -7.207   3.197   2.488
   94    HA   LEU  14           HA       LEU  14  -9.332   2.664   0.531
   95    HB2  LEU  14           HB2      LEU  14  -9.271   4.379   3.012
   96    HB3  LEU  14           HB1      LEU  14 -10.586   4.423   1.858
   97    HG   LEU  14           HG       LEU  14 -11.317   3.044   3.623
   98   HD11  LEU  14          HD11      LEU  14 -11.604   0.863   2.575
   99   HD12  LEU  14          HD12      LEU  14 -10.328   1.244   1.423
  100   HD13  LEU  14          HD13      LEU  14 -11.828   2.168   1.413
  101   HD21  LEU  14          HD21      LEU  14  -9.180   2.632   4.710
  102   HD22  LEU  14          HD22      LEU  14  -8.714   1.539   3.407
  103   HD23  LEU  14          HD23      LEU  14 -10.059   1.121   4.468
  104    H    ASP  15           HN       ASP  15  -6.548   4.297   0.709
  105    HA   ASP  15           HA       ASP  15  -7.391   6.117  -1.402
  106    HB2  ASP  15           HB2      ASP  15  -6.090   7.997  -0.477
  107    HB3  ASP  15           HB1      ASP  15  -7.419   7.554   0.587
  108    H    ALA  16           HN       ALA  16  -5.334   7.097  -2.452
  109    HA   ALA  16           HA       ALA  16  -3.685   4.734  -2.995
  110    HB1  ALA  16           HB1      ALA  16  -3.945   7.320  -4.537
  111    HB2  ALA  16           HB2      ALA  16  -4.809   5.825  -4.889
  112    HB3  ALA  16           HB3      ALA  16  -3.054   5.888  -5.054
  113    H    ASN  17           HN       ASN  17  -3.613   7.926  -1.789
  114    HA   ASN  17           HA       ASN  17  -0.955   8.631  -1.953
  115    HB2  ASN  17           HB2      ASN  17  -2.974   9.966  -1.192
  116    HB3  ASN  17           HB1      ASN  17  -2.771   9.205   0.382
  117   HD21  ASN  17          HD21      ASN  17  -2.369  11.167   1.388
  118   HD22  ASN  17          HD22      ASN  17  -0.874  12.020   1.180
  119    H    SER  18           HN       SER  18  -2.621   6.914   0.682
  120    HA   SER  18           HA       SER  18  -0.157   6.491   2.128
  121    HB2  SER  18           HB2      SER  18  -2.822   5.150   2.636
  122    HB3  SER  18           HB1      SER  18  -1.521   5.454   3.790
  123    HG   SER  18           HG       SER  18  -3.264   7.329   2.566
  124    H    LEU  19           HN       LEU  19  -1.954   4.832  -0.290
  125    HA   LEU  19           HA       LEU  19  -0.935   2.209   0.294
  126    HB2  LEU  19           HB2      LEU  19  -3.113   2.556  -0.780
  127    HB3  LEU  19           HB1      LEU  19  -2.323   3.301  -2.151
  128    HG   LEU  19           HG       LEU  19  -3.152   0.848  -2.276
  129   HD11  LEU  19          HD11      LEU  19  -0.428   1.617  -3.276
  130   HD12  LEU  19          HD12      LEU  19  -1.972   1.965  -4.060
  131   HD13  LEU  19          HD13      LEU  19  -1.425   0.295  -3.890
  132   HD21  LEU  19          HD21      LEU  19  -0.467   0.451  -0.971
  133   HD22  LEU  19          HD22      LEU  19  -1.449  -0.811  -1.713
  134   HD23  LEU  19          HD23      LEU  19  -2.033   0.033  -0.282
  135    H    ALA  20           HN       ALA  20  -0.463   4.433  -2.441
  136    HA   ALA  20           HA       ALA  20   1.691   3.109  -3.624
  137    HB1  ALA  20           HB1      ALA  20   0.456   4.907  -4.727
  138    HB2  ALA  20           HB2      ALA  20   2.188   5.236  -4.732
  139    HB3  ALA  20           HB3      ALA  20   1.133   6.082  -3.600
  140    H    GLN  21           HN       GLN  21   1.743   5.573  -1.035
  141    HA   GLN  21           HA       GLN  21   4.604   5.644  -0.916
  142    HB2  GLN  21           HB2      GLN  21   4.387   7.042   0.935
  143    HB3  GLN  21           HB1      GLN  21   2.893   7.354   0.056
  144    HG2  GLN  21           HG2      GLN  21   1.663   5.911   1.524
  145    HG3  GLN  21           HG1      GLN  21   3.152   5.407   2.333
  146   HE21  GLN  21          HE21      GLN  21   0.844   7.966   1.873
  147   HE22  GLN  21          HE22      GLN  21   1.310   8.919   3.257
  148    H    HIS  22           HN       HIS  22   2.161   3.548   0.272
  149    HA   HIS  22           HA       HIS  22   3.710   2.309   2.324
  150    HB2  HIS  22           HB2      HIS  22   1.332   2.136   2.505
  151    HB3  HIS  22           HB1      HIS  22   1.194   1.482   0.868
  152    HD1  HIS  22           HD1      HIS  22   2.289   0.502   4.353
  153    HD2  HIS  22           HD2      HIS  22   1.504  -1.216   0.642
  154    HE1  HIS  22           HE1      HIS  22   2.379  -2.006   4.676
  155    H    VAL  23           HN       VAL  23   2.963   1.548  -1.067
  156    HA   VAL  23           HA       VAL  23   4.607  -0.768  -1.095
  157    HB   VAL  23           HB       VAL  23   4.680   0.259  -3.693
  158   HG11  VAL  23          HG11      VAL  23   4.396  -2.065  -3.137
  159   HG12  VAL  23          HG12      VAL  23   3.050  -1.537  -4.152
  160   HG13  VAL  23          HG13      VAL  23   2.824  -1.727  -2.414
  161   HG21  VAL  23          HG21      VAL  23   2.350   0.747  -4.204
  162   HG22  VAL  23          HG22      VAL  23   3.032   1.942  -3.099
  163   HG23  VAL  23          HG23      VAL  23   1.963   0.679  -2.483
  164    H    ARG  24           HN       ARG  24   5.246   2.611  -1.157
  165    HA   ARG  24           HA       ARG  24   7.940   2.475  -2.054
  166    HB2  ARG  24           HB2      ARG  24   6.598   4.452  -0.220
  167    HB3  ARG  24           HB1      ARG  24   8.230   4.627  -0.842
  168    HG2  ARG  24           HG2      ARG  24   5.743   4.513  -2.536
  169    HG3  ARG  24           HG1      ARG  24   6.667   5.965  -2.140
  170    HD2  ARG  24           HD2      ARG  24   8.615   5.075  -3.261
  171    HD3  ARG  24           HD1      ARG  24   7.768   3.564  -3.580
  172    HE   ARG  24           HE       ARG  24   6.304   5.665  -4.714
  173   HH11  ARG  24          HH11      ARG  24   9.375   4.043  -5.107
  174   HH12  ARG  24          HH12      ARG  24   9.434   4.285  -6.828
  175   HH21  ARG  24          HH21      ARG  24   6.382   6.015  -6.985
  176   HH22  ARG  24          HH22      ARG  24   7.756   5.436  -7.887
  177    H    ILE  25           HN       ILE  25   6.402   2.251   1.185
  178    HA   ILE  25           HA       ILE  25   8.851   2.011   2.519
  179    HB   ILE  25           HB       ILE  25   7.769   1.251   4.438
  180   HG12  ILE  25          HG12      ILE  25   5.411   0.309   2.798
  181   HG13  ILE  25          HG11      ILE  25   6.706  -0.743   3.347
  182   HG21  ILE  25          HG21      ILE  25   7.048   3.469   3.837
  183   HG22  ILE  25          HG22      ILE  25   5.728   2.606   4.626
  184   HG23  ILE  25          HG23      ILE  25   5.724   2.813   2.874
  185   HD11  ILE  25          HD11      ILE  25   4.800   0.794   5.085
  186   HD12  ILE  25          HD12      ILE  25   6.133  -0.202   5.667
  187   HD13  ILE  25          HD13      ILE  25   4.796  -0.947   4.789
  188    H    HIS  26           HN       HIS  26   7.263  -0.112   0.406
  189    HA   HIS  26           HA       HIS  26   8.661  -2.493   1.304
  190    HB2  HIS  26           HB2      HIS  26   6.714  -1.969  -0.937
  191    HB3  HIS  26           HB1      HIS  26   7.560  -3.505  -0.771
  192    HD1  HIS  26           HD1      HIS  26   7.178  -4.647   1.740
  193    HD2  HIS  26           HD2      HIS  26   4.354  -1.906   0.356
  194    HE1  HIS  26           HE1      HIS  26   5.082  -5.028   3.100
  195    H    THR  27           HN       THR  27   9.043   0.034  -1.051
  196    HA   THR  27           HA       THR  27  11.099  -1.477  -2.469
  197    HB   THR  27           HB       THR  27  11.243   0.577  -3.920
  198    HG1  THR  27           HG1      THR  27  10.323   2.290  -3.075
  199   HG21  THR  27          HG21      THR  27   9.136   0.137  -5.089
  200   HG22  THR  27          HG22      THR  27   8.524  -0.716  -3.673
  201   HG23  THR  27          HG23      THR  27   9.898  -1.365  -4.565
  202    H    ALA  28           HN       ALA  28  10.971   0.167   0.283
  203    HA   ALA  28           HA       ALA  28  12.507   0.987   1.722
  204    HB1  ALA  28           HB1      ALA  28  14.887   0.822   1.262
  205    HB2  ALA  28           HB2      ALA  28  14.546   0.434  -0.425
  206    HB3  ALA  28           HB3      ALA  28  14.060  -0.682   0.851
  207    H    GLN  29           HN       GLN  29  13.362   2.966   2.274
  208    HA   GLN  29           HA       GLN  29  13.697   4.963   0.180
  209    HB2  GLN  29           HB2      GLN  29  12.252   6.561   1.494
  210    HB3  GLN  29           HB1      GLN  29  11.395   5.271   0.664
  211    HG2  GLN  29           HG2      GLN  29  11.319   4.024   2.811
  212    HG3  GLN  29           HG1      GLN  29  12.030   5.431   3.600
  213   HE21  GLN  29          HE21      GLN  29   9.217   4.134   2.046
  214   HE22  GLN  29          HE22      GLN  29   8.108   5.367   2.555
  Start of MODEL   15
    1    H1   HIS   1           HT1      HIS   1 -15.303  -0.908  -1.199
    2    H2   HIS   1           HT2      HIS   1 -15.357   0.770  -0.982
    3    H3   HIS   1           HT3      HIS   1 -16.691  -0.185  -0.548
    4    HA   HIS   1           HA       HIS   1 -15.463   0.501   1.401
    5    HB2  HIS   1           HB2      HIS   1 -16.599  -1.669   1.470
    6    HB3  HIS   1           HB1      HIS   1 -15.189  -2.451   0.765
    7    HD1  HIS   1           HD1      HIS   1 -14.283  -3.882   2.568
    8    HD2  HIS   1           HD2      HIS   1 -15.296  -0.085   3.958
    9    HE1  HIS   1           HE1      HIS   1 -13.512  -3.805   4.963
   10    HE2  HIS   1           HE2      HIS   1 -14.258  -1.559   5.826
   11    H    ILE   2           HN       ILE   2 -13.458  -1.655  -0.638
   12    HA   ILE   2           HA       ILE   2 -11.101  -0.192   0.334
   13    HB   ILE   2           HB       ILE   2  -9.843  -2.404   0.140
   14   HG12  ILE   2          HG12      ILE   2 -12.665  -3.495   0.342
   15   HG13  ILE   2          HG11      ILE   2 -11.591  -3.670  -1.047
   16   HG21  ILE   2          HG21      ILE   2 -10.439  -3.068   2.423
   17   HG22  ILE   2          HG22      ILE   2 -11.883  -2.060   2.331
   18   HG23  ILE   2          HG23      ILE   2 -10.283  -1.319   2.261
   19   HD11  ILE   2          HD11      ILE   2 -11.119  -4.809   1.703
   20   HD12  ILE   2          HD12      ILE   2 -10.055  -4.992   0.308
   21   HD13  ILE   2          HD13      ILE   2 -11.671  -5.701   0.283
   22    H    LEU   3           HN       LEU   3 -10.242   0.824  -1.332
   23    HA   LEU   3           HA       LEU   3 -10.845  -0.104  -4.020
   24    HB2  LEU   3           HB2      LEU   3 -11.261   2.221  -3.524
   25    HB3  LEU   3           HB1      LEU   3  -9.601   2.445  -3.009
   26    HG   LEU   3           HG       LEU   3  -8.788   2.237  -5.250
   27   HD11  LEU   3          HD11      LEU   3 -10.186   0.450  -6.052
   28   HD12  LEU   3          HD12      LEU   3 -10.311   1.830  -7.148
   29   HD13  LEU   3          HD13      LEU   3 -11.608   1.494  -6.002
   30   HD21  LEU   3          HD21      LEU   3 -11.270   3.949  -5.199
   31   HD22  LEU   3          HD22      LEU   3  -9.946   4.098  -6.354
   32   HD23  LEU   3          HD23      LEU   3  -9.664   4.424  -4.642
   33    H    TYR   4           HN       TYR   4  -7.853   1.186  -2.495
   34    HA   TYR   4           HA       TYR   4  -6.395  -0.233  -4.588
   35    HB2  TYR   4           HB2      TYR   4  -5.634   2.024  -2.752
   36    HB3  TYR   4           HB1      TYR   4  -4.424   1.126  -3.667
   37    HD1  TYR   4           HD1      TYR   4  -4.754   0.941  -6.189
   38    HD2  TYR   4           HD2      TYR   4  -6.779   3.801  -3.784
   39    HE1  TYR   4           HE1      TYR   4  -5.212   2.282  -8.192
   40    HE2  TYR   4           HE2      TYR   4  -7.241   5.160  -5.782
   41    HH   TYR   4           HH       TYR   4  -6.320   5.491  -8.058
   42    H    ALA   5           HN       ALA   5  -4.627  -1.597  -4.154
   43    HA   ALA   5           HA       ALA   5  -4.399  -2.543  -1.405
   44    HB1  ALA   5           HB1      ALA   5  -5.036  -4.343  -3.738
   45    HB2  ALA   5           HB2      ALA   5  -6.127  -3.925  -2.417
   46    HB3  ALA   5           HB3      ALA   5  -4.675  -4.874  -2.096
   47    H    CYS   6           HN       CYS   6  -2.492  -3.439  -0.872
   48    HA   CYS   6           HA       CYS   6  -0.328  -3.194  -2.827
   49    HB2  CYS   6           HB2      CYS   6  -0.157  -2.089  -0.578
   50    HB3  CYS   6           HB1      CYS   6  -0.160  -3.695   0.148
   51    H    ASP   7           HN       ASP   7  -0.219  -5.022  -4.000
   52    HA   ASP   7           HA       ASP   7  -1.106  -7.551  -3.100
   53    HB2  ASP   7           HB2      ASP   7  -1.065  -6.776  -5.480
   54    HB3  ASP   7           HB1      ASP   7   0.687  -6.949  -5.460
   55    H    SER   8           HN       SER   8   0.211  -9.525  -3.148
   56    HA   SER   8           HA       SER   8   1.994 -10.854  -2.712
   57    HB2  SER   8           HB2      SER   8   3.685  -8.353  -2.479
   58    HB3  SER   8           HB1      SER   8   4.264 -10.015  -2.657
   59    HG   SER   8           HG       SER   8   2.488  -9.281  -4.612
   60    H    CYS   9           HN       CYS   9   1.905  -7.909  -0.730
   61    HA   CYS   9           HA       CYS   9   2.332  -9.553   1.647
   62    HB2  CYS   9           HB2      CYS   9   1.829  -6.851   2.352
   63    HB3  CYS   9           HB1      CYS   9   3.371  -7.712   2.388
   64    H    GLY  10           HN       GLY  10  -0.088  -7.462   0.137
   65    HA2  GLY  10           HA2      GLY  10  -2.367  -7.991   0.060
   66    HA3  GLY  10           HA1      GLY  10  -2.135  -9.092   1.407
   67    H    ASP  11           HN       ASP  11  -1.977  -5.584   0.716
   68    HA   ASP  11           HA       ASP  11  -3.469  -5.189   3.227
   69    HB2  ASP  11           HB2      ASP  11  -1.109  -3.671   2.176
   70    HB3  ASP  11           HB1      ASP  11  -2.287  -2.863   3.205
   71    H    LYS  12           HN       LYS  12  -5.185  -3.826   3.184
   72    HA   LYS  12           HA       LYS  12  -5.948  -2.846   0.511
   73    HB2  LYS  12           HB2      LYS  12  -7.774  -3.439   2.843
   74    HB3  LYS  12           HB1      LYS  12  -8.247  -3.107   1.184
   75    HG2  LYS  12           HG2      LYS  12  -6.762  -5.540   2.153
   76    HG3  LYS  12           HG1      LYS  12  -8.462  -5.465   1.694
   77    HD2  LYS  12           HD2      LYS  12  -7.798  -4.843  -0.592
   78    HD3  LYS  12           HD1      LYS  12  -6.101  -4.975  -0.120
   79    HE2  LYS  12           HE2      LYS  12  -6.493  -7.345   0.467
   80    HE3  LYS  12           HE1      LYS  12  -8.151  -7.187  -0.108
   81    HZ1  LYS  12           HZ1      LYS  12  -5.682  -6.887  -1.732
   82    HZ2  LYS  12           HZ2      LYS  12  -7.252  -6.610  -2.310
   83    HZ3  LYS  12           HZ3      LYS  12  -6.793  -8.167  -1.806
   84    H    PHE  13           HN       PHE  13  -5.680  -0.718   0.302
   85    HA   PHE  13           HA       PHE  13  -5.878   0.957   2.702
   86    HB2  PHE  13           HB2      PHE  13  -4.449   1.342   0.084
   87    HB3  PHE  13           HB1      PHE  13  -4.718   2.676   1.211
   88    HD1  PHE  13           HD1      PHE  13  -3.481   2.851   3.229
   89    HD2  PHE  13           HD2      PHE  13  -3.029  -0.548   0.715
   90    HE1  PHE  13           HE1      PHE  13  -1.467   2.197   4.482
   91    HE2  PHE  13           HE2      PHE  13  -1.017  -1.213   1.965
   92    HZ   PHE  13           HZ       PHE  13  -0.260   0.137   3.881
   93    H    LEU  14           HN       LEU  14  -7.166   2.672   2.853
   94    HA   LEU  14           HA       LEU  14  -9.401   2.850   1.009
   95    HB2  LEU  14           HB2      LEU  14  -8.889   4.536   3.459
   96    HB3  LEU  14           HB1      LEU  14 -10.422   4.251   2.658
   97    HG   LEU  14           HG       LEU  14  -8.841   2.170   4.171
   98   HD11  LEU  14          HD11      LEU  14  -9.744   3.849   5.668
   99   HD12  LEU  14          HD12      LEU  14 -10.640   2.339   5.828
  100   HD13  LEU  14          HD13      LEU  14 -11.334   3.685   4.926
  101   HD21  LEU  14          HD21      LEU  14 -11.605   2.052   2.977
  102   HD22  LEU  14          HD22      LEU  14 -10.821   0.784   3.919
  103   HD23  LEU  14          HD23      LEU  14 -10.176   1.239   2.343
  104    H    ASP  15           HN       ASP  15  -6.389   4.118   1.167
  105    HA   ASP  15           HA       ASP  15  -7.114   6.523  -0.351
  106    HB2  ASP  15           HB2      ASP  15  -6.621   7.271   1.918
  107    HB3  ASP  15           HB1      ASP  15  -5.122   6.349   1.927
  108    H    ALA  16           HN       ALA  16  -5.354   7.236  -1.809
  109    HA   ALA  16           HA       ALA  16  -4.123   4.798  -2.881
  110    HB1  ALA  16           HB1      ALA  16  -3.894   6.064  -4.966
  111    HB2  ALA  16           HB2      ALA  16  -4.543   7.497  -4.169
  112    HB3  ALA  16           HB3      ALA  16  -5.563   6.076  -4.395
  113    H    ASN  17           HN       ASN  17  -3.464   8.094  -1.996
  114    HA   ASN  17           HA       ASN  17  -0.738   8.252  -2.438
  115    HB2  ASN  17           HB2      ASN  17  -2.052  10.166  -1.821
  116    HB3  ASN  17           HB1      ASN  17  -2.501   9.423  -0.292
  117   HD21  ASN  17          HD21      ASN  17  -1.076   9.483   1.419
  118   HD22  ASN  17          HD22      ASN  17   0.373  10.423   1.405
  119    H    SER  18           HN       SER  18  -2.495   7.081   0.399
  120    HA   SER  18           HA       SER  18  -0.195   6.417   1.932
  121    HB2  SER  18           HB2      SER  18  -2.981   5.257   2.167
  122    HB3  SER  18           HB1      SER  18  -1.747   5.317   3.425
  123    HG   SER  18           HG       SER  18  -3.063   7.536   2.213
  124    H    LEU  19           HN       LEU  19  -2.018   4.742  -0.508
  125    HA   LEU  19           HA       LEU  19  -0.917   2.153  -0.013
  126    HB2  LEU  19           HB2      LEU  19  -3.031   2.535  -1.239
  127    HB3  LEU  19           HB1      LEU  19  -2.132   3.317  -2.522
  128    HG   LEU  19           HG       LEU  19  -2.914   0.871  -2.809
  129   HD11  LEU  19          HD11      LEU  19  -1.016   0.337  -4.213
  130   HD12  LEU  19          HD12      LEU  19  -0.076   1.616  -3.444
  131   HD13  LEU  19          HD13      LEU  19  -1.496   2.023  -4.408
  132   HD21  LEU  19          HD21      LEU  19  -0.419   0.444  -1.187
  133   HD22  LEU  19          HD22      LEU  19  -1.278  -0.803  -2.089
  134   HD23  LEU  19          HD23      LEU  19  -2.058  -0.009  -0.720
  135    H    ALA  20           HN       ALA  20  -0.365   4.557  -2.557
  136    HA   ALA  20           HA       ALA  20   1.904   3.455  -3.709
  137    HB1  ALA  20           HB1      ALA  20   1.262   6.392  -3.412
  138    HB2  ALA  20           HB2      ALA  20   0.655   5.323  -4.676
  139    HB3  ALA  20           HB3      ALA  20   2.379   5.682  -4.579
  140    H    GLN  21           HN       GLN  21   1.725   5.669  -0.902
  141    HA   GLN  21           HA       GLN  21   4.545   5.874  -0.612
  142    HB2  GLN  21           HB2      GLN  21   4.155   7.019   1.371
  143    HB3  GLN  21           HB1      GLN  21   2.666   7.312   0.487
  144    HG2  GLN  21           HG2      GLN  21   1.504   5.653   1.754
  145    HG3  GLN  21           HG1      GLN  21   3.001   5.126   2.523
  146   HE21  GLN  21          HE21      GLN  21   3.945   6.441   4.101
  147   HE22  GLN  21          HE22      GLN  21   3.042   7.687   4.916
  148    H    HIS  22           HN       HIS  22   2.212   3.502   0.278
  149    HA   HIS  22           HA       HIS  22   3.817   2.155   2.224
  150    HB2  HIS  22           HB2      HIS  22   1.461   1.899   2.429
  151    HB3  HIS  22           HB1      HIS  22   1.292   1.418   0.739
  152    HD1  HIS  22           HD1      HIS  22   2.342   0.064   4.101
  153    HD2  HIS  22           HD2      HIS  22   1.759  -1.214   0.186
  154    HE1  HIS  22           HE1      HIS  22   2.496  -2.459   4.146
  155    H    VAL  23           HN       VAL  23   3.135   1.708  -1.233
  156    HA   VAL  23           HA       VAL  23   4.843  -0.559  -1.454
  157    HB   VAL  23           HB       VAL  23   4.920   0.672  -3.960
  158   HG11  VAL  23          HG11      VAL  23   3.386  -1.110  -4.599
  159   HG12  VAL  23          HG12      VAL  23   2.984  -1.382  -2.903
  160   HG13  VAL  23          HG13      VAL  23   4.617  -1.711  -3.488
  161   HG21  VAL  23          HG21      VAL  23   3.255   2.288  -3.230
  162   HG22  VAL  23          HG22      VAL  23   2.189   0.969  -2.741
  163   HG23  VAL  23          HG23      VAL  23   2.594   1.193  -4.444
  164    H    ARG  24           HN       ARG  24   5.373   2.809  -1.165
  165    HA   ARG  24           HA       ARG  24   8.098   2.810  -2.037
  166    HB2  ARG  24           HB2      ARG  24   6.681   4.680  -0.137
  167    HB3  ARG  24           HB1      ARG  24   8.294   4.934  -0.788
  168    HG2  ARG  24           HG2      ARG  24   7.306   4.954  -3.073
  169    HG3  ARG  24           HG1      ARG  24   5.709   4.899  -2.324
  170    HD2  ARG  24           HD2      ARG  24   6.227   7.186  -2.839
  171    HD3  ARG  24           HD1      ARG  24   6.286   6.980  -1.089
  172    HE   ARG  24           HE       ARG  24   8.843   6.667  -2.379
  173   HH11  ARG  24          HH11      ARG  24   6.597   8.941  -0.961
  174   HH12  ARG  24          HH12      ARG  24   7.798  10.157  -0.655
  175   HH21  ARG  24          HH21      ARG  24  10.440   8.257  -1.988
  176   HH22  ARG  24          HH22      ARG  24   9.993   9.765  -1.245
  177    H    ILE  25           HN       ILE  25   6.469   2.468   1.142
  178    HA   ILE  25           HA       ILE  25   8.839   2.358   2.618
  179    HB   ILE  25           HB       ILE  25   7.670   1.447   4.457
  180   HG12  ILE  25          HG12      ILE  25   5.397   0.675   2.614
  181   HG13  ILE  25          HG11      ILE  25   6.628  -0.443   3.190
  182   HG21  ILE  25          HG21      ILE  25   5.794   3.167   2.856
  183   HG22  ILE  25          HG22      ILE  25   7.060   3.717   3.953
  184   HG23  ILE  25          HG23      ILE  25   5.659   2.854   4.585
  185   HD11  ILE  25          HD11      ILE  25   4.597  -0.649   4.477
  186   HD12  ILE  25          HD12      ILE  25   4.668   1.063   4.900
  187   HD13  ILE  25          HD13      ILE  25   5.911  -0.042   5.486
  188    H    HIS  26           HN       HIS  26   7.567   0.117   0.423
  189    HA   HIS  26           HA       HIS  26   8.872  -2.192   1.543
  190    HB2  HIS  26           HB2      HIS  26   7.381  -1.713  -1.021
  191    HB3  HIS  26           HB1      HIS  26   8.241  -3.220  -0.716
  192    HD1  HIS  26           HD1      HIS  26   7.511  -4.174   1.907
  193    HD2  HIS  26           HD2      HIS  26   4.798  -1.954  -0.345
  194    HE1  HIS  26           HE1      HIS  26   5.216  -4.676   2.853
  195    H    THR  27           HN       THR  27  10.063   0.468   0.018
  196    HA   THR  27           HA       THR  27  12.140  -0.736  -1.523
  197    HB   THR  27           HB       THR  27  12.331   1.915  -0.077
  198    HG1  THR  27           HG1      THR  27  10.527   2.227  -1.238
  199   HG21  THR  27          HG21      THR  27  13.572   0.888  -2.635
  200   HG22  THR  27          HG22      THR  27  14.403   1.123  -1.097
  201   HG23  THR  27          HG23      THR  27  13.774   2.513  -1.981
  202    H    ALA  28           HN       ALA  28  11.776   0.304   1.824
  203    HA   ALA  28           HA       ALA  28  14.344  -0.785   2.606
  204    HB1  ALA  28           HB1      ALA  28  13.732  -0.060   4.854
  205    HB2  ALA  28           HB2      ALA  28  12.103   0.327   4.299
  206    HB3  ALA  28           HB3      ALA  28  13.483   1.243   3.692
  207    H    GLN  29           HN       GLN  29  13.687  -2.892   1.677
  208    HA   GLN  29           HA       GLN  29  11.733  -4.466   3.081
  209    HB2  GLN  29           HB2      GLN  29  12.157  -4.817   0.686
  210    HB3  GLN  29           HB1      GLN  29  13.825  -5.250   1.036
  211    HG2  GLN  29           HG2      GLN  29  12.580  -7.246   0.637
  212    HG3  GLN  29           HG1      GLN  29  13.009  -7.180   2.344
  213   HE21  GLN  29          HE21      GLN  29  10.421  -5.306   0.890
  214   HE22  GLN  29          HE22      GLN  29   9.123  -6.140   1.680
  Start of MODEL   16
    1    H1   HIS   1           HT1      HIS   1 -11.895   3.805  -1.118
    2    H2   HIS   1           HT2      HIS   1 -13.244   4.621  -0.494
    3    H3   HIS   1           HT3      HIS   1 -13.453   3.378  -1.631
    4    HA   HIS   1           HA       HIS   1 -12.342   3.031   1.093
    5    HB2  HIS   1           HB2      HIS   1 -14.782   3.610   1.015
    6    HB3  HIS   1           HB1      HIS   1 -15.045   2.190   0.009
    7    HD1  HIS   1           HD1      HIS   1 -15.875   0.247   1.302
    8    HD2  HIS   1           HD2      HIS   1 -13.440   2.714   3.608
    9    HE1  HIS   1           HE1      HIS   1 -15.838  -0.782   3.598
   10    HE2  HIS   1           HE2      HIS   1 -14.455   0.789   5.007
   11    H    ILE   2           HN       ILE   2 -11.036   1.366   1.159
   12    HA   ILE   2           HA       ILE   2  -9.864  -0.489   0.593
   13    HB   ILE   2           HB       ILE   2 -11.129  -2.584   0.606
   14   HG12  ILE   2          HG12      ILE   2 -13.618  -0.856   0.667
   15   HG13  ILE   2          HG11      ILE   2 -13.090  -1.816  -0.719
   16   HG21  ILE   2          HG21      ILE   2 -10.571  -1.572   2.708
   17   HG22  ILE   2          HG22      ILE   2 -12.180  -2.285   2.827
   18   HG23  ILE   2          HG23      ILE   2 -12.001  -0.542   2.640
   19   HD11  ILE   2          HD11      ILE   2 -13.365  -3.851   0.582
   20   HD12  ILE   2          HD12      ILE   2 -14.860  -2.919   0.530
   21   HD13  ILE   2          HD13      ILE   2 -13.860  -2.901   1.983
   22    H    LEU   3           HN       LEU   3 -10.170   1.120  -1.652
   23    HA   LEU   3           HA       LEU   3 -10.915  -0.633  -3.855
   24    HB2  LEU   3           HB2      LEU   3 -11.473   1.858  -3.687
   25    HB3  LEU   3           HB1      LEU   3  -9.781   2.160  -4.018
   26    HG   LEU   3           HG       LEU   3 -11.519   0.585  -5.918
   27   HD11  LEU   3          HD11      LEU   3 -11.010   3.556  -5.907
   28   HD12  LEU   3          HD12      LEU   3 -12.550   2.772  -5.555
   29   HD13  LEU   3          HD13      LEU   3 -11.847   2.651  -7.167
   30   HD21  LEU   3          HD21      LEU   3  -9.840   1.290  -7.558
   31   HD22  LEU   3          HD22      LEU   3  -9.105   0.385  -6.236
   32   HD23  LEU   3          HD23      LEU   3  -8.958   2.140  -6.289
   33    H    TYR   4           HN       TYR   4  -8.075   0.867  -2.417
   34    HA   TYR   4           HA       TYR   4  -6.392  -0.182  -4.559
   35    HB2  TYR   4           HB2      TYR   4  -5.770   1.736  -2.307
   36    HB3  TYR   4           HB1      TYR   4  -4.623   1.219  -3.541
   37    HD1  TYR   4           HD1      TYR   4  -5.093   1.762  -5.964
   38    HD2  TYR   4           HD2      TYR   4  -7.334   3.428  -2.756
   39    HE1  TYR   4           HE1      TYR   4  -5.859   3.573  -7.443
   40    HE2  TYR   4           HE2      TYR   4  -8.105   5.232  -4.222
   41    HH   TYR   4           HH       TYR   4  -7.414   6.370  -6.275
   42    H    ALA   5           HN       ALA   5  -4.632  -1.553  -4.179
   43    HA   ALA   5           HA       ALA   5  -4.495  -2.786  -1.543
   44    HB1  ALA   5           HB1      ALA   5  -6.193  -4.057  -2.764
   45    HB2  ALA   5           HB2      ALA   5  -4.761  -5.032  -2.436
   46    HB3  ALA   5           HB3      ALA   5  -5.027  -4.374  -4.048
   47    H    CYS   6           HN       CYS   6  -2.494  -3.057  -0.964
   48    HA   CYS   6           HA       CYS   6  -0.332  -3.138  -2.887
   49    HB2  CYS   6           HB2      CYS   6  -0.146  -1.988  -0.675
   50    HB3  CYS   6           HB1      CYS   6  -0.269  -3.563   0.106
   51    H    ASP   7           HN       ASP   7  -0.167  -4.992  -3.986
   52    HA   ASP   7           HA       ASP   7  -1.231  -7.461  -3.084
   53    HB2  ASP   7           HB2      ASP   7  -0.410  -8.385  -5.146
   54    HB3  ASP   7           HB1      ASP   7  -1.012  -6.765  -5.488
   55    H    SER   8           HN       SER   8   0.052  -9.489  -3.123
   56    HA   SER   8           HA       SER   8   1.750 -10.853  -2.508
   57    HB2  SER   8           HB2      SER   8   3.453  -8.359  -2.302
   58    HB3  SER   8           HB1      SER   8   4.044 -10.020  -2.202
   59    HG   SER   8           HG       SER   8   2.752  -8.810  -4.444
   60    H    CYS   9           HN       CYS   9   1.675  -7.865  -0.562
   61    HA   CYS   9           HA       CYS   9   1.974  -9.489   1.852
   62    HB2  CYS   9           HB2      CYS   9   1.550  -6.744   2.489
   63    HB3  CYS   9           HB1      CYS   9   3.051  -7.676   2.610
   64    H    GLY  10           HN       GLY  10  -0.407  -7.758   0.041
   65    HA2  GLY  10           HA2      GLY  10  -2.712  -7.987   0.165
   66    HA3  GLY  10           HA1      GLY  10  -2.510  -8.933   1.633
   67    H    ASP  11           HN       ASP  11  -1.743  -5.598   0.627
   68    HA   ASP  11           HA       ASP  11  -2.839  -4.707   3.212
   69    HB2  ASP  11           HB2      ASP  11  -1.026  -3.119   1.384
   70    HB3  ASP  11           HB1      ASP  11  -1.417  -2.786   3.063
   71    H    LYS  12           HN       LYS  12  -4.996  -4.426   2.741
   72    HA   LYS  12           HA       LYS  12  -5.849  -3.029   0.357
   73    HB2  LYS  12           HB2      LYS  12  -7.437  -3.883   2.791
   74    HB3  LYS  12           HB1      LYS  12  -8.119  -3.289   1.282
   75    HG2  LYS  12           HG2      LYS  12  -6.517  -5.819   1.613
   76    HG3  LYS  12           HG1      LYS  12  -8.271  -5.715   1.463
   77    HD2  LYS  12           HD2      LYS  12  -6.296  -4.783  -0.617
   78    HD3  LYS  12           HD1      LYS  12  -7.142  -6.331  -0.651
   79    HE2  LYS  12           HE2      LYS  12  -8.481  -3.628  -0.649
   80    HE3  LYS  12           HE1      LYS  12  -8.191  -4.602  -2.088
   81    HZ1  LYS  12           HZ1      LYS  12  -9.852  -5.427   0.237
   82    HZ2  LYS  12           HZ2      LYS  12  -9.596  -6.329  -1.179
   83    HZ3  LYS  12           HZ3      LYS  12 -10.451  -4.870  -1.249
   84    H    PHE  13           HN       PHE  13  -5.470  -0.910   0.248
   85    HA   PHE  13           HA       PHE  13  -5.725   0.687   2.689
   86    HB2  PHE  13           HB2      PHE  13  -4.186   1.044   0.156
   87    HB3  PHE  13           HB1      PHE  13  -4.643   2.472   1.094
   88    HD1  PHE  13           HD1      PHE  13  -3.609   2.963   3.171
   89    HD2  PHE  13           HD2      PHE  13  -2.708  -0.648   1.121
   90    HE1  PHE  13           HE1      PHE  13  -1.670   2.613   4.650
   91    HE2  PHE  13           HE2      PHE  13  -0.766  -1.010   2.589
   92    HZ   PHE  13           HZ       PHE  13  -0.303   0.598   4.423
   93    H    LEU  14           HN       LEU  14  -7.033   2.375   2.891
   94    HA   LEU  14           HA       LEU  14  -9.204   2.673   0.989
   95    HB2  LEU  14           HB2      LEU  14  -8.648   3.897   3.694
   96    HB3  LEU  14           HB1      LEU  14 -10.019   4.356   2.710
   97    HG   LEU  14           HG       LEU  14 -10.861   2.021   2.841
   98   HD11  LEU  14          HD11      LEU  14  -8.768   0.848   3.225
   99   HD12  LEU  14          HD12      LEU  14  -9.919   0.507   4.518
  100   HD13  LEU  14          HD13      LEU  14  -8.595   1.642   4.790
  101   HD21  LEU  14          HD21      LEU  14 -11.670   3.729   4.379
  102   HD22  LEU  14          HD22      LEU  14 -10.352   3.362   5.493
  103   HD23  LEU  14          HD23      LEU  14 -11.594   2.152   5.167
  104    H    ASP  15           HN       ASP  15  -6.182   3.933   1.525
  105    HA   ASP  15           HA       ASP  15  -6.800   6.472   0.163
  106    HB2  ASP  15           HB2      ASP  15  -4.542   5.743   2.040
  107    HB3  ASP  15           HB1      ASP  15  -4.592   7.235   1.108
  108    H    ALA  16           HN       ALA  16  -5.495   7.085  -1.578
  109    HA   ALA  16           HA       ALA  16  -4.122   4.845  -2.890
  110    HB1  ALA  16           HB1      ALA  16  -4.869   7.575  -3.954
  111    HB2  ALA  16           HB2      ALA  16  -5.772   6.084  -4.221
  112    HB3  ALA  16           HB3      ALA  16  -4.152   6.265  -4.892
  113    H    ASN  17           HN       ASN  17  -3.741   8.138  -1.853
  114    HA   ASN  17           HA       ASN  17  -1.095   8.635  -2.459
  115    HB2  ASN  17           HB2      ASN  17  -2.616  10.335  -1.658
  116    HB3  ASN  17           HB1      ASN  17  -2.791   9.506  -0.116
  117   HD21  ASN  17          HD21      ASN  17  -2.127  11.372   0.991
  118   HD22  ASN  17          HD22      ASN  17  -0.471  11.884   1.023
  119    H    SER  18           HN       SER  18  -2.466   7.140   0.454
  120    HA   SER  18           HA       SER  18   0.114   6.670   1.628
  121    HB2  SER  18           HB2      SER  18  -2.577   5.510   2.398
  122    HB3  SER  18           HB1      SER  18  -1.122   5.535   3.394
  123    HG   SER  18           HG       SER  18  -2.285   7.259   4.057
  124    H    LEU  19           HN       LEU  19  -1.920   4.958  -0.573
  125    HA   LEU  19           HA       LEU  19  -0.920   2.342  -0.044
  126    HB2  LEU  19           HB2      LEU  19  -3.051   2.812  -1.223
  127    HB3  LEU  19           HB1      LEU  19  -2.140   3.461  -2.569
  128    HG   LEU  19           HG       LEU  19  -3.091   1.046  -2.665
  129   HD11  LEU  19          HD11      LEU  19  -1.739   2.027  -4.412
  130   HD12  LEU  19          HD12      LEU  19  -1.295   0.341  -4.138
  131   HD13  LEU  19          HD13      LEU  19  -0.272   1.636  -3.511
  132   HD21  LEU  19          HD21      LEU  19  -2.064   0.331  -0.531
  133   HD22  LEU  19          HD22      LEU  19  -0.474   0.504  -1.282
  134   HD23  LEU  19          HD23      LEU  19  -1.617  -0.687  -1.902
  135    H    ALA  20           HN       ALA  20  -0.339   4.571  -2.755
  136    HA   ALA  20           HA       ALA  20   1.926   3.307  -3.796
  137    HB1  ALA  20           HB1      ALA  20   1.315   6.269  -3.798
  138    HB2  ALA  20           HB2      ALA  20   0.710   5.092  -4.966
  139    HB3  ALA  20           HB3      ALA  20   2.438   5.437  -4.875
  140    H    GLN  21           HN       GLN  21   1.631   5.575  -1.106
  141    HA   GLN  21           HA       GLN  21   4.402   5.951  -0.682
  142    HB2  GLN  21           HB2      GLN  21   3.269   7.558   0.443
  143    HB3  GLN  21           HB1      GLN  21   1.852   6.543   0.659
  144    HG2  GLN  21           HG2      GLN  21   2.562   6.888   2.791
  145    HG3  GLN  21           HG1      GLN  21   3.260   5.321   2.409
  146   HE21  GLN  21          HE21      GLN  21   4.104   7.264   4.417
  147   HE22  GLN  21          HE22      GLN  21   5.755   7.665   4.026
  148    H    HIS  22           HN       HIS  22   2.073   3.542   0.270
  149    HA   HIS  22           HA       HIS  22   3.684   2.282   2.247
  150    HB2  HIS  22           HB2      HIS  22   1.344   1.939   2.417
  151    HB3  HIS  22           HB1      HIS  22   1.215   1.444   0.728
  152    HD1  HIS  22           HD1      HIS  22   2.265   0.132   4.108
  153    HD2  HIS  22           HD2      HIS  22   1.719  -1.179   0.207
  154    HE1  HIS  22           HE1      HIS  22   2.415  -2.388   4.181
  155    H    VAL  23           HN       VAL  23   3.101   1.677  -1.211
  156    HA   VAL  23           HA       VAL  23   4.808  -0.589  -1.298
  157    HB   VAL  23           HB       VAL  23   4.984   0.510  -3.847
  158   HG11  VAL  23          HG11      VAL  23   3.444  -1.265  -4.450
  159   HG12  VAL  23          HG12      VAL  23   2.898  -1.386  -2.776
  160   HG13  VAL  23          HG13      VAL  23   4.551  -1.839  -3.201
  161   HG21  VAL  23          HG21      VAL  23   2.717   1.120  -4.435
  162   HG22  VAL  23          HG22      VAL  23   3.361   2.226  -3.221
  163   HG23  VAL  23          HG23      VAL  23   2.224   0.959  -2.749
  164    H    ARG  24           HN       ARG  24   5.384   2.773  -1.106
  165    HA   ARG  24           HA       ARG  24   8.106   2.728  -1.954
  166    HB2  ARG  24           HB2      ARG  24   6.644   4.616  -0.117
  167    HB3  ARG  24           HB1      ARG  24   8.294   4.859  -0.681
  168    HG2  ARG  24           HG2      ARG  24   7.493   4.906  -2.997
  169    HG3  ARG  24           HG1      ARG  24   5.837   4.726  -2.415
  170    HD2  ARG  24           HD2      ARG  24   5.902   6.836  -1.329
  171    HD3  ARG  24           HD1      ARG  24   7.643   6.981  -1.573
  172    HE   ARG  24           HE       ARG  24   5.689   7.035  -3.785
  173   HH11  ARG  24          HH11      ARG  24   8.575   8.208  -2.192
  174   HH12  ARG  24          HH12      ARG  24   8.986   9.327  -3.459
  175   HH21  ARG  24          HH21      ARG  24   6.219   8.498  -5.470
  176   HH22  ARG  24          HH22      ARG  24   7.643   9.490  -5.330
  177    H    ILE  25           HN       ILE  25   6.467   2.370   1.196
  178    HA   ILE  25           HA       ILE  25   8.832   2.317   2.692
  179    HB   ILE  25           HB       ILE  25   7.648   1.480   4.550
  180   HG12  ILE  25          HG12      ILE  25   5.385   0.605   2.737
  181   HG13  ILE  25          HG11      ILE  25   6.630  -0.476   3.344
  182   HG21  ILE  25          HG21      ILE  25   5.634   2.868   4.629
  183   HG22  ILE  25          HG22      ILE  25   5.724   3.089   2.880
  184   HG23  ILE  25          HG23      ILE  25   7.002   3.724   3.918
  185   HD11  ILE  25          HD11      ILE  25   5.927   0.005   5.636
  186   HD12  ILE  25          HD12      ILE  25   4.618  -0.665   4.661
  187   HD13  ILE  25          HD13      ILE  25   4.660   1.063   5.011
  188    H    HIS  26           HN       HIS  26   7.355  -0.044   0.679
  189    HA   HIS  26           HA       HIS  26   8.853  -2.284   1.660
  190    HB2  HIS  26           HB2      HIS  26   7.275  -1.860  -0.881
  191    HB3  HIS  26           HB1      HIS  26   8.115  -3.363  -0.510
  192    HD1  HIS  26           HD1      HIS  26   7.327  -4.254   2.113
  193    HD2  HIS  26           HD2      HIS  26   4.697  -1.989  -0.204
  194    HE1  HIS  26           HE1      HIS  26   4.992  -4.705   3.013
  195    H    THR  27           HN       THR  27   9.240   0.077  -0.939
  196    HA   THR  27           HA       THR  27  11.480  -1.232  -2.121
  197    HB   THR  27           HB       THR  27  11.823   0.954  -3.317
  198    HG1  THR  27           HG1      THR  27  10.263   1.872  -1.363
  199   HG21  THR  27          HG21      THR  27   9.782   0.760  -4.665
  200   HG22  THR  27          HG22      THR  27   9.041  -0.224  -3.402
  201   HG23  THR  27          HG23      THR  27  10.453  -0.823  -4.274
  202    H    ALA  28           HN       ALA  28  11.190   0.371   0.769
  203    HA   ALA  28           HA       ALA  28  13.768   1.632   0.841
  204    HB1  ALA  28           HB1      ALA  28  11.942   0.851   3.115
  205    HB2  ALA  28           HB2      ALA  28  11.924   2.398   2.267
  206    HB3  ALA  28           HB3      ALA  28  13.333   1.929   3.219
  207    H    GLN  29           HN       GLN  29  15.650   0.843   1.649
  208    HA   GLN  29           HA       GLN  29  17.270  -0.655   2.136
  209    HB2  GLN  29           HB2      GLN  29  15.057  -2.119   3.587
  210    HB3  GLN  29           HB1      GLN  29  16.776  -2.439   3.765
  211    HG2  GLN  29           HG2      GLN  29  17.064  -0.111   4.586
  212    HG3  GLN  29           HG1      GLN  29  15.310   0.073   4.544
  213   HE21  GLN  29          HE21      GLN  29  18.000  -1.406   6.124
  214   HE22  GLN  29          HE22      GLN  29  17.142  -1.978   7.517
  Start of MODEL   17
    1    H1   HIS   1           HT1      HIS   1 -14.227  -4.907  -0.310
    2    H2   HIS   1           HT2      HIS   1 -15.754  -4.270   0.037
    3    H3   HIS   1           HT3      HIS   1 -14.374  -3.629   0.795
    4    HA   HIS   1           HA       HIS   1 -14.927  -3.518  -2.115
    5    HB2  HIS   1           HB2      HIS   1 -16.450  -2.153  -0.605
    6    HB3  HIS   1           HB1      HIS   1 -15.022  -1.255  -0.112
    7    HD1  HIS   1           HD1      HIS   1 -17.522  -1.549  -2.818
    8    HD2  HIS   1           HD2      HIS   1 -13.908   0.410  -2.163
    9    HE1  HIS   1           HE1      HIS   1 -17.365   0.214  -4.609
   10    HE2  HIS   1           HE2      HIS   1 -15.129   1.321  -4.256
   11    H    ILE   2           HN       ILE   2 -12.763  -4.303  -2.401
   12    HA   ILE   2           HA       ILE   2 -10.574  -2.753  -1.284
   13    HB   ILE   2           HB       ILE   2 -10.480  -5.073  -3.229
   14   HG12  ILE   2          HG12      ILE   2  -9.492  -6.196  -1.071
   15   HG13  ILE   2          HG11      ILE   2 -10.384  -4.923  -0.232
   16   HG21  ILE   2          HG21      ILE   2  -8.104  -5.213  -2.621
   17   HG22  ILE   2          HG22      ILE   2  -8.276  -3.748  -1.655
   18   HG23  ILE   2          HG23      ILE   2  -8.503  -3.684  -3.404
   19   HD11  ILE   2          HD11      ILE   2 -12.450  -5.703  -1.289
   20   HD12  ILE   2          HD12      ILE   2 -11.678  -6.958  -0.322
   21   HD13  ILE   2          HD13      ILE   2 -11.548  -6.994  -2.080
   22    H    LEU   3           HN       LEU   3 -10.795  -0.735  -2.230
   23    HA   LEU   3           HA       LEU   3 -10.719  -0.582  -5.133
   24    HB2  LEU   3           HB2      LEU   3 -10.650   1.979  -4.532
   25    HB3  LEU   3           HB1      LEU   3 -12.141   1.062  -4.501
   26    HG   LEU   3           HG       LEU   3 -11.823   0.799  -2.018
   27   HD11  LEU   3          HD11      LEU   3 -10.341   2.356  -0.880
   28   HD12  LEU   3          HD12      LEU   3  -9.704   2.895  -2.433
   29   HD13  LEU   3          HD13      LEU   3  -9.434   1.238  -1.897
   30   HD21  LEU   3          HD21      LEU   3 -12.106   3.567  -3.165
   31   HD22  LEU   3          HD22      LEU   3 -12.539   3.111  -1.516
   32   HD23  LEU   3          HD23      LEU   3 -13.393   2.392  -2.882
   33    H    TYR   4           HN       TYR   4  -8.577  -0.225  -2.424
   34    HA   TYR   4           HA       TYR   4  -6.378   0.069  -4.342
   35    HB2  TYR   4           HB2      TYR   4  -6.741   1.615  -1.773
   36    HB3  TYR   4           HB1      TYR   4  -5.179   1.450  -2.566
   37    HD1  TYR   4           HD1      TYR   4  -5.314   2.004  -5.203
   38    HD2  TYR   4           HD2      TYR   4  -7.922   3.545  -2.218
   39    HE1  TYR   4           HE1      TYR   4  -5.851   3.897  -6.660
   40    HE2  TYR   4           HE2      TYR   4  -8.462   5.453  -3.670
   41    HH   TYR   4           HH       TYR   4  -7.533   5.555  -6.987
   42    H    ALA   5           HN       ALA   5  -4.717  -1.341  -4.000
   43    HA   ALA   5           HA       ALA   5  -4.594  -2.759  -1.439
   44    HB1  ALA   5           HB1      ALA   5  -4.694  -4.954  -2.478
   45    HB2  ALA   5           HB2      ALA   5  -4.942  -4.212  -4.060
   46    HB3  ALA   5           HB3      ALA   5  -6.170  -4.045  -2.806
   47    H    CYS   6           HN       CYS   6  -2.591  -3.141  -0.830
   48    HA   CYS   6           HA       CYS   6  -0.383  -3.021  -2.741
   49    HB2  CYS   6           HB2      CYS   6  -0.271  -1.882  -0.511
   50    HB3  CYS   6           HB1      CYS   6  -0.318  -3.471   0.246
   51    H    ASP   7           HN       ASP   7  -0.330  -4.908  -3.887
   52    HA   ASP   7           HA       ASP   7  -1.254  -7.375  -2.822
   53    HB2  ASP   7           HB2      ASP   7  -1.348  -6.773  -5.237
   54    HB3  ASP   7           HB1      ASP   7   0.403  -6.941  -5.312
   55    H    SER   8           HN       SER   8   0.036  -9.381  -2.839
   56    HA   SER   8           HA       SER   8   1.793 -10.703  -2.327
   57    HB2  SER   8           HB2      SER   8   3.276  -9.165  -3.613
   58    HB3  SER   8           HB1      SER   8   3.531  -8.234  -2.133
   59    HG   SER   8           HG       SER   8   5.134  -9.925  -2.660
   60    H    CYS   9           HN       CYS   9   1.685  -7.682  -0.445
   61    HA   CYS   9           HA       CYS   9   1.990  -9.270   1.992
   62    HB2  CYS   9           HB2      CYS   9   1.578  -6.534   2.611
   63    HB3  CYS   9           HB1      CYS   9   3.087  -7.454   2.708
   64    H    GLY  10           HN       GLY  10  -0.395  -7.781   0.060
   65    HA2  GLY  10           HA2      GLY  10  -2.677  -8.099   0.143
   66    HA3  GLY  10           HA1      GLY  10  -2.461  -8.967   1.655
   67    H    ASP  11           HN       ASP  11  -1.483  -5.633   0.908
   68    HA   ASP  11           HA       ASP  11  -2.896  -4.810   3.335
   69    HB2  ASP  11           HB2      ASP  11  -1.201  -3.004   1.639
   70    HB3  ASP  11           HB1      ASP  11  -1.534  -2.893   3.361
   71    H    LYS  12           HN       LYS  12  -4.961  -4.262   3.035
   72    HA   LYS  12           HA       LYS  12  -5.833  -3.132   0.490
   73    HB2  LYS  12           HB2      LYS  12  -7.228  -4.316   2.850
   74    HB3  LYS  12           HB1      LYS  12  -8.123  -3.238   1.792
   75    HG2  LYS  12           HG2      LYS  12  -8.525  -5.497   1.128
   76    HG3  LYS  12           HG1      LYS  12  -7.553  -4.706  -0.110
   77    HD2  LYS  12           HD2      LYS  12  -5.558  -5.806   0.695
   78    HD3  LYS  12           HD1      LYS  12  -6.455  -6.511   2.044
   79    HE2  LYS  12           HE2      LYS  12  -7.836  -7.767   0.485
   80    HE3  LYS  12           HE1      LYS  12  -6.990  -7.038  -0.876
   81    HZ1  LYS  12           HZ1      LYS  12  -4.996  -8.155  -0.279
   82    HZ2  LYS  12           HZ2      LYS  12  -6.231  -9.312  -0.278
   83    HZ3  LYS  12           HZ3      LYS  12  -5.652  -8.696   1.189
   84    H    PHE  13           HN       PHE  13  -5.657  -1.019   0.243
   85    HA   PHE  13           HA       PHE  13  -5.977   0.715   2.584
   86    HB2  PHE  13           HB2      PHE  13  -4.646   1.168  -0.086
   87    HB3  PHE  13           HB1      PHE  13  -4.933   2.464   1.084
   88    HD1  PHE  13           HD1      PHE  13  -3.879   2.316   3.336
   89    HD2  PHE  13           HD2      PHE  13  -2.828  -0.298   0.146
   90    HE1  PHE  13           HE1      PHE  13  -1.798   1.738   4.504
   91    HE2  PHE  13           HE2      PHE  13  -0.744  -0.887   1.314
   92    HZ   PHE  13           HZ       PHE  13  -0.230   0.132   3.497
   93    H    LEU  14           HN       LEU  14  -7.340   2.453   2.588
   94    HA   LEU  14           HA       LEU  14  -9.350   2.573   0.453
   95    HB2  LEU  14           HB2      LEU  14  -9.335   3.611   3.287
   96    HB3  LEU  14           HB1      LEU  14 -10.532   4.115   2.112
   97    HG   LEU  14           HG       LEU  14 -11.507   2.419   3.480
   98   HD11  LEU  14          HD11      LEU  14 -12.129   2.328   1.153
   99   HD12  LEU  14          HD12      LEU  14 -12.063   0.696   1.820
  100   HD13  LEU  14          HD13      LEU  14 -10.752   1.283   0.794
  101   HD21  LEU  14          HD21      LEU  14 -10.580   0.179   3.706
  102   HD22  LEU  14          HD22      LEU  14  -9.463   1.394   4.329
  103   HD23  LEU  14          HD23      LEU  14  -9.172   0.654   2.754
  104    H    ASP  15           HN       ASP  15  -6.478   3.716   0.881
  105    HA   ASP  15           HA       ASP  15  -7.052   6.424  -0.111
  106    HB2  ASP  15           HB2      ASP  15  -4.996   5.587   1.939
  107    HB3  ASP  15           HB1      ASP  15  -4.887   7.109   1.061
  108    H    ALA  16           HN       ALA  16  -5.487   7.261  -1.568
  109    HA   ALA  16           HA       ALA  16  -4.113   5.135  -3.058
  110    HB1  ALA  16           HB1      ALA  16  -3.904   6.801  -4.846
  111    HB2  ALA  16           HB2      ALA  16  -4.651   8.013  -3.805
  112    HB3  ALA  16           HB3      ALA  16  -5.585   6.617  -4.340
  113    H    ASN  17           HN       ASN  17  -3.662   8.244  -1.573
  114    HA   ASN  17           HA       ASN  17  -0.963   8.699  -1.925
  115    HB2  ASN  17           HB2      ASN  17  -2.466  10.332  -0.980
  116    HB3  ASN  17           HB1      ASN  17  -2.798   9.291   0.397
  117   HD21  ASN  17          HD21      ASN  17  -2.113  10.703   1.956
  118   HD22  ASN  17          HD22      ASN  17  -0.458  11.205   2.135
  119    H    SER  18           HN       SER  18  -2.591   6.943   0.683
  120    HA   SER  18           HA       SER  18  -0.152   6.266   2.008
  121    HB2  SER  18           HB2      SER  18  -2.250   6.524   3.257
  122    HB3  SER  18           HB1      SER  18  -2.944   5.152   2.392
  123    HG   SER  18           HG       SER  18  -0.851   4.102   3.305
  124    H    LEU  19           HN       LEU  19  -1.839   4.930  -0.639
  125    HA   LEU  19           HA       LEU  19  -0.975   2.208  -0.296
  126    HB2  LEU  19           HB2      LEU  19  -2.885   3.270  -1.804
  127    HB3  LEU  19           HB1      LEU  19  -1.584   3.410  -2.965
  128    HG   LEU  19           HG       LEU  19  -2.774   0.929  -1.816
  129   HD11  LEU  19          HD11      LEU  19  -3.186   0.369  -4.136
  130   HD12  LEU  19          HD12      LEU  19  -2.373   1.849  -4.643
  131   HD13  LEU  19          HD13      LEU  19  -3.885   1.941  -3.741
  132   HD21  LEU  19          HD21      LEU  19  -0.389   0.567  -1.762
  133   HD22  LEU  19          HD22      LEU  19  -0.248   1.128  -3.428
  134   HD23  LEU  19          HD23      LEU  19  -1.110  -0.369  -3.071
  135    H    ALA  20           HN       ALA  20  -0.214   4.662  -2.682
  136    HA   ALA  20           HA       ALA  20   2.025   3.500  -3.814
  137    HB1  ALA  20           HB1      ALA  20   2.585   5.719  -4.669
  138    HB2  ALA  20           HB2      ALA  20   1.471   6.456  -3.514
  139    HB3  ALA  20           HB3      ALA  20   0.854   5.409  -4.794
  140    H    GLN  21           HN       GLN  21   1.927   5.777  -1.046
  141    HA   GLN  21           HA       GLN  21   4.740   5.901  -0.752
  142    HB2  GLN  21           HB2      GLN  21   4.390   7.015   1.270
  143    HB3  GLN  21           HB1      GLN  21   2.949   7.413   0.343
  144    HG2  GLN  21           HG2      GLN  21   1.663   5.779   1.529
  145    HG3  GLN  21           HG1      GLN  21   3.110   5.185   2.355
  146   HE21  GLN  21          HE21      GLN  21   2.558   8.580   1.781
  147   HE22  GLN  21          HE22      GLN  21   2.235   9.015   3.436
  148    H    HIS  22           HN       HIS  22   2.360   3.581   0.181
  149    HA   HIS  22           HA       HIS  22   3.951   2.280   2.172
  150    HB2  HIS  22           HB2      HIS  22   1.571   2.112   2.378
  151    HB3  HIS  22           HB1      HIS  22   1.414   1.505   0.730
  152    HD1  HIS  22           HD1      HIS  22   2.465   0.404   4.185
  153    HD2  HIS  22           HD2      HIS  22   1.775  -1.163   0.391
  154    HE1  HIS  22           HE1      HIS  22   2.514  -2.111   4.438
  155    H    VAL  23           HN       VAL  23   3.244   1.755  -1.259
  156    HA   VAL  23           HA       VAL  23   4.822  -0.609  -1.433
  157    HB   VAL  23           HB       VAL  23   4.941   0.709  -3.937
  158   HG11  VAL  23          HG11      VAL  23   3.165  -1.515  -2.973
  159   HG12  VAL  23          HG12      VAL  23   4.801  -1.692  -3.606
  160   HG13  VAL  23          HG13      VAL  23   3.501  -1.125  -4.658
  161   HG21  VAL  23          HG21      VAL  23   2.557   1.075  -4.408
  162   HG22  VAL  23          HG22      VAL  23   3.180   2.203  -3.204
  163   HG23  VAL  23          HG23      VAL  23   2.200   0.823  -2.698
  164    H    ARG  24           HN       ARG  24   5.523   2.735  -1.238
  165    HA   ARG  24           HA       ARG  24   8.228   2.597  -2.160
  166    HB2  ARG  24           HB2      ARG  24   6.905   4.578  -0.308
  167    HB3  ARG  24           HB1      ARG  24   8.505   4.761  -1.012
  168    HG2  ARG  24           HG2      ARG  24   7.548   4.818  -3.248
  169    HG3  ARG  24           HG1      ARG  24   5.933   4.601  -2.569
  170    HD2  ARG  24           HD2      ARG  24   6.247   6.714  -1.303
  171    HD3  ARG  24           HD1      ARG  24   7.789   6.936  -2.127
  172    HE   ARG  24           HE       ARG  24   6.090   6.668  -4.183
  173   HH11  ARG  24          HH11      ARG  24   6.008   8.662  -1.308
  174   HH12  ARG  24          HH12      ARG  24   5.059   9.916  -2.053
  175   HH21  ARG  24          HH21      ARG  24   4.867   8.335  -5.174
  176   HH22  ARG  24          HH22      ARG  24   4.405   9.723  -4.234
  177    H    ILE  25           HN       ILE  25   6.633   2.442   1.044
  178    HA   ILE  25           HA       ILE  25   9.039   2.278   2.485
  179    HB   ILE  25           HB       ILE  25   7.844   1.588   4.398
  180   HG12  ILE  25          HG12      ILE  25   5.500   0.811   2.647
  181   HG13  ILE  25          HG11      ILE  25   6.675  -0.326   3.298
  182   HG21  ILE  25          HG21      ILE  25   7.349   3.849   3.745
  183   HG22  ILE  25          HG22      ILE  25   5.914   3.108   4.459
  184   HG23  ILE  25          HG23      ILE  25   6.031   3.296   2.708
  185   HD11  ILE  25          HD11      ILE  25   6.022   0.327   5.569
  186   HD12  ILE  25          HD12      ILE  25   4.679  -0.335   4.636
  187   HD13  ILE  25          HD13      ILE  25   4.803   1.408   4.888
  188    H    HIS  26           HN       HIS  26   7.611   0.021   0.413
  189    HA   HIS  26           HA       HIS  26   8.957  -2.279   1.577
  190    HB2  HIS  26           HB2      HIS  26   7.345  -1.956  -0.962
  191    HB3  HIS  26           HB1      HIS  26   8.124  -3.462  -0.492
  192    HD1  HIS  26           HD1      HIS  26   7.330  -4.120   2.210
  193    HD2  HIS  26           HD2      HIS  26   4.768  -1.960  -0.282
  194    HE1  HIS  26           HE1      HIS  26   4.991  -4.428   3.137
  195    H    THR  27           HN       THR  27   9.627   0.227  -0.634
  196    HA   THR  27           HA       THR  27  11.699  -1.277  -2.030
  197    HB   THR  27           HB       THR  27  10.887   1.613  -2.389
  198    HG1  THR  27           HG1      THR  27   9.634  -0.672  -3.121
  199   HG21  THR  27          HG21      THR  27  12.501  -0.239  -4.151
  200   HG22  THR  27          HG22      THR  27  13.132   1.121  -3.220
  201   HG23  THR  27          HG23      THR  27  12.018   1.408  -4.559
  202    H    ALA  28           HN       ALA  28  11.446   1.787  -0.219
  203    HA   ALA  28           HA       ALA  28  14.346   1.786   0.134
  204    HB1  ALA  28           HB1      ALA  28  14.086   4.068   0.894
  205    HB2  ALA  28           HB2      ALA  28  12.331   3.898   0.886
  206    HB3  ALA  28           HB3      ALA  28  13.228   3.843  -0.632
  207    H    GLN  29           HN       GLN  29  15.327   1.952   2.171
  208    HA   GLN  29           HA       GLN  29  13.709   0.819   4.344
  209    HB2  GLN  29           HB2      GLN  29  16.697   0.880   3.897
  210    HB3  GLN  29           HB1      GLN  29  15.935   0.269   5.361
  211    HG2  GLN  29           HG2      GLN  29  14.798  -1.445   4.091
  212    HG3  GLN  29           HG1      GLN  29  15.470  -0.811   2.592
  213   HE21  GLN  29          HE21      GLN  29  18.071  -0.260   3.786
  214   HE22  GLN  29          HE22      GLN  29  18.846  -1.793   3.976
  Start of MODEL   18
    1    H1   HIS   1           HT1      HIS   1 -13.319   0.737   0.345
    2    H2   HIS   1           HT2      HIS   1 -12.578   1.516   1.652
    3    H3   HIS   1           HT3      HIS   1 -14.233   1.181   1.703
    4    HA   HIS   1           HA       HIS   1 -12.991  -0.356   3.081
    5    HB2  HIS   1           HB2      HIS   1 -14.221  -1.533   0.587
    6    HB3  HIS   1           HB1      HIS   1 -13.718  -2.508   1.959
    7    HD1  HIS   1           HD1      HIS   1 -15.222  -2.505   4.038
    8    HD2  HIS   1           HD2      HIS   1 -16.551   0.008   0.997
    9    HE1  HIS   1           HE1      HIS   1 -17.569  -1.849   4.668
   10    HE2  HIS   1           HE2      HIS   1 -18.338  -0.292   2.838
   11    H    ILE   2           HN       ILE   2 -12.404  -1.654  -0.173
   12    HA   ILE   2           HA       ILE   2  -9.573  -1.963   0.561
   13    HB   ILE   2           HB       ILE   2  -9.518  -4.180  -0.457
   14   HG12  ILE   2          HG12      ILE   2 -11.481  -3.797  -2.021
   15   HG13  ILE   2          HG11      ILE   2 -11.423  -5.375  -1.235
   16   HG21  ILE   2          HG21      ILE   2  -9.878  -4.034   1.926
   17   HG22  ILE   2          HG22      ILE   2 -10.761  -5.410   1.263
   18   HG23  ILE   2          HG23      ILE   2 -11.621  -3.928   1.682
   19   HD11  ILE   2          HD11      ILE   2 -13.137  -4.668   0.334
   20   HD12  ILE   2          HD12      ILE   2 -13.685  -4.473  -1.331
   21   HD13  ILE   2          HD13      ILE   2 -13.169  -3.066  -0.402
   22    H    LEU   3           HN       LEU   3 -10.265   0.141  -0.901
   23    HA   LEU   3           HA       LEU   3 -10.657  -0.150  -3.647
   24    HB2  LEU   3           HB2      LEU   3 -10.614   1.943  -1.972
   25    HB3  LEU   3           HB1      LEU   3  -9.029   2.141  -2.689
   26    HG   LEU   3           HG       LEU   3 -11.696   2.203  -4.094
   27   HD11  LEU   3          HD11      LEU   3 -11.089   4.244  -2.934
   28   HD12  LEU   3          HD12      LEU   3 -11.011   4.476  -4.680
   29   HD13  LEU   3          HD13      LEU   3  -9.527   4.265  -3.752
   30   HD21  LEU   3          HD21      LEU   3  -8.934   2.280  -5.307
   31   HD22  LEU   3          HD22      LEU   3 -10.434   2.627  -6.164
   32   HD23  LEU   3          HD23      LEU   3 -10.140   1.012  -5.523
   33    H    TYR   4           HN       TYR   4  -7.596   0.740  -2.027
   34    HA   TYR   4           HA       TYR   4  -6.187  -0.280  -4.398
   35    HB2  TYR   4           HB2      TYR   4  -5.440   1.900  -2.449
   36    HB3  TYR   4           HB1      TYR   4  -4.311   1.228  -3.625
   37    HD1  TYR   4           HD1      TYR   4  -5.103   1.258  -6.117
   38    HD2  TYR   4           HD2      TYR   4  -6.774   3.677  -3.045
   39    HE1  TYR   4           HE1      TYR   4  -5.946   2.826  -7.817
   40    HE2  TYR   4           HE2      TYR   4  -7.617   5.249  -4.726
   41    HH   TYR   4           HH       TYR   4  -7.745   4.529  -8.032
   42    H    ALA   5           HN       ALA   5  -5.097  -2.073  -4.168
   43    HA   ALA   5           HA       ALA   5  -4.434  -2.973  -1.450
   44    HB1  ALA   5           HB1      ALA   5  -4.745  -4.597  -3.969
   45    HB2  ALA   5           HB2      ALA   5  -5.973  -4.404  -2.717
   46    HB3  ALA   5           HB3      ALA   5  -4.460  -5.231  -2.348
   47    H    CYS   6           HN       CYS   6  -2.418  -3.158  -0.841
   48    HA   CYS   6           HA       CYS   6  -0.214  -2.781  -2.655
   49    HB2  CYS   6           HB2      CYS   6  -0.200  -1.932  -0.322
   50    HB3  CYS   6           HB1      CYS   6  -0.224  -3.598   0.262
   51    H    ASP   7           HN       ASP   7   0.713  -4.331  -3.784
   52    HA   ASP   7           HA       ASP   7  -0.295  -6.978  -3.742
   53    HB2  ASP   7           HB2      ASP   7   0.449  -5.871  -5.798
   54    HB3  ASP   7           HB1      ASP   7   2.096  -5.813  -5.182
   55    H    SER   8           HN       SER   8   0.686  -8.910  -3.263
   56    HA   SER   8           HA       SER   8   2.208 -10.423  -2.531
   57    HB2  SER   8           HB2      SER   8   4.035  -8.064  -2.052
   58    HB3  SER   8           HB1      SER   8   4.495  -9.758  -1.866
   59    HG   SER   8           HG       SER   8   3.415  -8.737  -4.289
   60    H    CYS   9           HN       CYS   9   1.747  -7.555  -0.510
   61    HA   CYS   9           HA       CYS   9   1.912  -9.287   1.859
   62    HB2  CYS   9           HB2      CYS   9   1.516  -6.584   2.624
   63    HB3  CYS   9           HB1      CYS   9   2.995  -7.548   2.762
   64    H    GLY  10           HN       GLY  10  -0.297  -7.521  -0.090
   65    HA2  GLY  10           HA2      GLY  10  -2.595  -7.711  -0.167
   66    HA3  GLY  10           HA1      GLY  10  -2.519  -8.755   1.242
   67    H    ASP  11           HN       ASP  11  -1.348  -5.428   0.906
   68    HA   ASP  11           HA       ASP  11  -2.902  -4.719   3.279
   69    HB2  ASP  11           HB2      ASP  11  -1.064  -2.849   1.819
   70    HB3  ASP  11           HB1      ASP  11  -1.491  -2.854   3.522
   71    H    LYS  12           HN       LYS  12  -4.925  -4.038   2.907
   72    HA   LYS  12           HA       LYS  12  -5.481  -2.645   0.387
   73    HB2  LYS  12           HB2      LYS  12  -7.217  -4.173   2.296
   74    HB3  LYS  12           HB1      LYS  12  -7.927  -3.033   1.160
   75    HG2  LYS  12           HG2      LYS  12  -8.060  -5.163   0.161
   76    HG3  LYS  12           HG1      LYS  12  -6.763  -4.308  -0.669
   77    HD2  LYS  12           HD2      LYS  12  -5.123  -5.482   0.762
   78    HD3  LYS  12           HD1      LYS  12  -6.452  -6.389   1.492
   79    HE2  LYS  12           HE2      LYS  12  -5.649  -6.413  -1.415
   80    HE3  LYS  12           HE1      LYS  12  -5.347  -7.694  -0.243
   81    HZ1  LYS  12           HZ1      LYS  12  -7.262  -8.188  -1.631
   82    HZ2  LYS  12           HZ2      LYS  12  -8.025  -6.762  -1.135
   83    HZ3  LYS  12           HZ3      LYS  12  -7.734  -8.004  -0.013
   84    H    PHE  13           HN       PHE  13  -5.238  -0.546   0.542
   85    HA   PHE  13           HA       PHE  13  -6.181   0.867   2.941
   86    HB2  PHE  13           HB2      PHE  13  -4.376   1.739   0.676
   87    HB3  PHE  13           HB1      PHE  13  -4.931   2.813   1.960
   88    HD1  PHE  13           HD1      PHE  13  -3.903   2.811   4.087
   89    HD2  PHE  13           HD2      PHE  13  -2.908  -0.183   1.234
   90    HE1  PHE  13           HE1      PHE  13  -2.001   2.116   5.485
   91    HE2  PHE  13           HE2      PHE  13  -1.004  -0.882   2.625
   92    HZ   PHE  13           HZ       PHE  13  -0.549   0.264   4.752
   93    H    LEU  14           HN       LEU  14  -7.501   2.723   2.728
   94    HA   LEU  14           HA       LEU  14  -9.390   2.564   0.539
   95    HB2  LEU  14           HB2      LEU  14  -9.305   4.298   3.008
   96    HB3  LEU  14           HB1      LEU  14 -10.564   4.400   1.797
   97    HG   LEU  14           HG       LEU  14 -11.003   1.922   2.294
   98   HD11  LEU  14          HD11      LEU  14  -8.961   1.456   3.537
   99   HD12  LEU  14          HD12      LEU  14 -10.382   1.183   4.545
  100   HD13  LEU  14          HD13      LEU  14  -9.417   2.645   4.757
  101   HD21  LEU  14          HD21      LEU  14 -11.558   4.026   4.378
  102   HD22  LEU  14          HD22      LEU  14 -12.423   2.499   4.205
  103   HD23  LEU  14          HD23      LEU  14 -12.512   3.714   2.928
  104    H    ASP  15           HN       ASP  15  -6.653   4.390   1.442
  105    HA   ASP  15           HA       ASP  15  -7.241   6.480  -0.540
  106    HB2  ASP  15           HB2      ASP  15  -5.197   6.379   1.695
  107    HB3  ASP  15           HB1      ASP  15  -5.286   7.670   0.504
  108    H    ALA  16           HN       ALA  16  -5.531   7.109  -1.996
  109    HA   ALA  16           HA       ALA  16  -3.970   4.788  -2.878
  110    HB1  ALA  16           HB1      ALA  16  -4.408   7.478  -4.186
  111    HB2  ALA  16           HB2      ALA  16  -5.275   5.992  -4.574
  112    HB3  ALA  16           HB3      ALA  16  -3.544   6.116  -4.901
  113    H    ASN  17           HN       ASN  17  -3.762   7.945  -1.562
  114    HA   ASN  17           HA       ASN  17  -1.096   8.606  -1.895
  115    HB2  ASN  17           HB2      ASN  17  -3.046   9.980  -0.986
  116    HB3  ASN  17           HB1      ASN  17  -2.743   9.202   0.563
  117   HD21  ASN  17          HD21      ASN  17  -2.278  11.235   1.489
  118   HD22  ASN  17          HD22      ASN  17  -0.765  12.025   1.196
  119    H    SER  18           HN       SER  18  -2.649   6.875   0.783
  120    HA   SER  18           HA       SER  18  -0.159   6.408   2.141
  121    HB2  SER  18           HB2      SER  18  -2.835   5.092   2.670
  122    HB3  SER  18           HB1      SER  18  -1.494   5.290   3.799
  123    HG   SER  18           HG       SER  18  -3.412   6.838   3.822
  124    H    LEU  19           HN       LEU  19  -1.966   4.798  -0.289
  125    HA   LEU  19           HA       LEU  19  -0.931   2.170   0.235
  126    HB2  LEU  19           HB2      LEU  19  -3.101   2.565  -0.889
  127    HB3  LEU  19           HB1      LEU  19  -2.254   3.297  -2.234
  128    HG   LEU  19           HG       LEU  19  -3.090   0.848  -2.397
  129   HD11  LEU  19          HD11      LEU  19  -1.257   0.263  -3.899
  130   HD12  LEU  19          HD12      LEU  19  -0.308   1.601  -3.251
  131   HD13  LEU  19          HD13      LEU  19  -1.799   1.922  -4.138
  132   HD21  LEU  19          HD21      LEU  19  -1.407  -0.809  -1.749
  133   HD22  LEU  19          HD22      LEU  19  -2.097   0.022  -0.354
  134   HD23  LEU  19          HD23      LEU  19  -0.490   0.457  -0.935
  135    H    ALA  20           HN       ALA  20  -0.487   4.454  -2.447
  136    HA   ALA  20           HA       ALA  20   1.649   3.185  -3.682
  137    HB1  ALA  20           HB1      ALA  20   0.401   4.997  -4.726
  138    HB2  ALA  20           HB2      ALA  20   2.129   5.350  -4.735
  139    HB3  ALA  20           HB3      ALA  20   1.070   6.148  -3.571
  140    H    GLN  21           HN       GLN  21   1.742   5.578  -1.025
  141    HA   GLN  21           HA       GLN  21   4.582   5.757  -1.009
  142    HB2  GLN  21           HB2      GLN  21   4.393   6.997   0.963
  143    HB3  GLN  21           HB1      GLN  21   2.884   7.337   0.126
  144    HG2  GLN  21           HG2      GLN  21   1.658   5.918   1.543
  145    HG3  GLN  21           HG1      GLN  21   3.126   5.183   2.197
  146   HE21  GLN  21          HE21      GLN  21   0.933   6.440   3.612
  147   HE22  GLN  21          HE22      GLN  21   1.617   7.754   4.528
  148    H    HIS  22           HN       HIS  22   2.311   3.490   0.237
  149    HA   HIS  22           HA       HIS  22   4.040   2.307   2.189
  150    HB2  HIS  22           HB2      HIS  22   1.703   2.140   2.604
  151    HB3  HIS  22           HB1      HIS  22   1.386   1.511   0.985
  152    HD1  HIS  22           HD1      HIS  22   2.666   0.428   4.372
  153    HD2  HIS  22           HD2      HIS  22   1.709  -1.178   0.661
  154    HE1  HIS  22           HE1      HIS  22   2.737  -2.085   4.642
  155    H    VAL  23           HN       VAL  23   3.019   1.493  -1.117
  156    HA   VAL  23           HA       VAL  23   4.575  -0.855  -1.321
  157    HB   VAL  23           HB       VAL  23   4.588   0.348  -3.871
  158   HG11  VAL  23          HG11      VAL  23   4.339  -2.028  -3.387
  159   HG12  VAL  23          HG12      VAL  23   3.039  -1.442  -4.423
  160   HG13  VAL  23          HG13      VAL  23   2.739  -1.718  -2.708
  161   HG21  VAL  23          HG21      VAL  23   2.225   0.831  -4.227
  162   HG22  VAL  23          HG22      VAL  23   2.958   1.960  -3.090
  163   HG23  VAL  23          HG23      VAL  23   1.935   0.648  -2.498
  164    H    ARG  24           HN       ARG  24   5.371   2.456  -1.259
  165    HA   ARG  24           HA       ARG  24   8.010   2.164  -2.371
  166    HB2  ARG  24           HB2      ARG  24   6.768   4.391  -0.757
  167    HB3  ARG  24           HB1      ARG  24   8.353   4.465  -1.521
  168    HG2  ARG  24           HG2      ARG  24   7.357   4.248  -3.713
  169    HG3  ARG  24           HG1      ARG  24   5.756   4.078  -2.994
  170    HD2  ARG  24           HD2      ARG  24   6.051   6.333  -3.799
  171    HD3  ARG  24           HD1      ARG  24   5.974   6.334  -2.038
  172    HE   ARG  24           HE       ARG  24   8.611   6.320  -3.319
  173   HH11  ARG  24          HH11      ARG  24   6.137   8.044  -1.540
  174   HH12  ARG  24          HH12      ARG  24   7.194   9.335  -1.061
  175   HH21  ARG  24          HH21      ARG  24  10.011   8.030  -2.669
  176   HH22  ARG  24          HH22      ARG  24   9.374   9.336  -1.711
  177    H    ILE  25           HN       ILE  25   6.568   2.364   0.903
  178    HA   ILE  25           HA       ILE  25   8.995   2.508   2.274
  179    HB   ILE  25           HB       ILE  25   7.917   1.835   4.280
  180   HG12  ILE  25          HG12      ILE  25   5.527   0.848   2.711
  181   HG13  ILE  25          HG11      ILE  25   6.827  -0.215   3.235
  182   HG21  ILE  25          HG21      ILE  25   7.249   4.014   3.481
  183   HG22  ILE  25          HG22      ILE  25   5.904   3.236   4.316
  184   HG23  ILE  25          HG23      ILE  25   5.932   3.298   2.553
  185   HD11  ILE  25          HD11      ILE  25   4.980   1.382   4.987
  186   HD12  ILE  25          HD12      ILE  25   6.356   0.446   5.574
  187   HD13  ILE  25          HD13      ILE  25   5.009  -0.372   4.776
  188    H    HIS  26           HN       HIS  26   7.655  -0.097   0.546
  189    HA   HIS  26           HA       HIS  26   8.718  -2.238   2.087
  190    HB2  HIS  26           HB2      HIS  26   7.477  -2.047  -0.627
  191    HB3  HIS  26           HB1      HIS  26   8.249  -3.544  -0.104
  192    HD1  HIS  26           HD1      HIS  26   7.312  -4.355   2.419
  193    HD2  HIS  26           HD2      HIS  26   4.877  -1.926   0.046
  194    HE1  HIS  26           HE1      HIS  26   4.966  -4.550   3.356
  195    H    THR  27           HN       THR  27  10.377  -0.047   0.221
  196    HA   THR  27           HA       THR  27  12.347  -2.062  -0.588
  197    HB   THR  27           HB       THR  27  11.570  -0.328  -2.260
  198    HG1  THR  27           HG1      THR  27  13.725  -1.506  -2.190
  199   HG21  THR  27          HG21      THR  27  12.632   1.890  -2.144
  200   HG22  THR  27          HG22      THR  27  13.247   1.499  -0.538
  201   HG23  THR  27          HG23      THR  27  11.509   1.622  -0.812
  202    H    ALA  28           HN       ALA  28  11.705  -0.547   2.137
  203    HA   ALA  28           HA       ALA  28  14.478  -0.443   2.970
  204    HB1  ALA  28           HB1      ALA  28  14.360   1.838   3.829
  205    HB2  ALA  28           HB2      ALA  28  12.735   2.013   3.162
  206    HB3  ALA  28           HB3      ALA  28  14.115   1.808   2.084
  207    H    GLN  29           HN       GLN  29  14.532   0.315   5.379
  208    HA   GLN  29           HA       GLN  29  12.144   0.169   6.910
  209    HB2  GLN  29           HB2      GLN  29  12.504  -2.266   6.468
  210    HB3  GLN  29           HB1      GLN  29  14.067  -2.145   7.266
  211    HG2  GLN  29           HG2      GLN  29  12.958  -1.491   9.344
  212    HG3  GLN  29           HG1      GLN  29  11.391  -1.616   8.545
  213   HE21  GLN  29          HE21      GLN  29  14.102  -3.346   9.826
  214   HE22  GLN  29          HE22      GLN  29  13.350  -4.911   9.855
  Start of MODEL   19
    1    H1   HIS   1           HT1      HIS   1 -15.242  -1.475   0.145
    2    H2   HIS   1           HT2      HIS   1 -15.462  -2.864  -0.796
    3    H3   HIS   1           HT3      HIS   1 -16.643  -1.646  -0.796
    4    HA   HIS   1           HA       HIS   1 -15.154  -1.744  -2.784
    5    HB2  HIS   1           HB2      HIS   1 -15.083   0.660  -3.005
    6    HB3  HIS   1           HB1      HIS   1 -16.553   0.221  -2.151
    7    HD1  HIS   1           HD1      HIS   1 -16.533   0.694   0.499
    8    HD2  HIS   1           HD2      HIS   1 -13.477   2.450  -1.713
    9    HE1  HIS   1           HE1      HIS   1 -15.563   2.474   1.977
   10    HE2  HIS   1           HE2      HIS   1 -13.886   3.676   0.533
   11    H    ILE   2           HN       ILE   2 -13.154  -2.165  -3.390
   12    HA   ILE   2           HA       ILE   2 -10.938  -1.510  -1.585
   13    HB   ILE   2           HB       ILE   2 -11.026  -3.227  -4.078
   14   HG12  ILE   2          HG12      ILE   2 -10.201  -4.968  -2.370
   15   HG13  ILE   2          HG11      ILE   2 -10.724  -3.819  -1.134
   16   HG21  ILE   2          HG21      ILE   2  -8.649  -2.583  -2.337
   17   HG22  ILE   2          HG22      ILE   2  -8.906  -2.024  -3.989
   18   HG23  ILE   2          HG23      ILE   2  -8.672  -3.743  -3.666
   19   HD11  ILE   2          HD11      ILE   2 -12.466  -5.095  -3.231
   20   HD12  ILE   2          HD12      ILE   2 -13.000  -3.919  -2.031
   21   HD13  ILE   2          HD13      ILE   2 -12.416  -5.502  -1.515
   22    H    LEU   3           HN       LEU   3 -10.040   0.416  -1.853
   23    HA   LEU   3           HA       LEU   3 -10.390   1.877  -4.318
   24    HB2  LEU   3           HB2      LEU   3 -10.456   2.795  -1.900
   25    HB3  LEU   3           HB1      LEU   3  -8.708   2.742  -1.977
   26    HG   LEU   3           HG       LEU   3  -9.760   4.981  -2.437
   27   HD11  LEU   3          HD11      LEU   3  -7.483   4.553  -3.093
   28   HD12  LEU   3          HD12      LEU   3  -8.291   5.501  -4.342
   29   HD13  LEU   3          HD13      LEU   3  -8.024   3.773  -4.577
   30   HD21  LEU   3          HD21      LEU   3 -11.660   4.195  -3.738
   31   HD22  LEU   3          HD22      LEU   3 -10.567   3.634  -5.005
   32   HD23  LEU   3          HD23      LEU   3 -10.698   5.357  -4.652
   33    H    TYR   4           HN       TYR   4  -7.545   1.029  -2.349
   34    HA   TYR   4           HA       TYR   4  -6.151   0.141  -4.732
   35    HB2  TYR   4           HB2      TYR   4  -5.466   2.615  -3.270
   36    HB3  TYR   4           HB1      TYR   4  -4.114   1.535  -3.587
   37    HD1  TYR   4           HD1      TYR   4  -3.999   0.640  -6.074
   38    HD2  TYR   4           HD2      TYR   4  -5.984   4.207  -4.878
   39    HE1  TYR   4           HE1      TYR   4  -3.803   1.509  -8.363
   40    HE2  TYR   4           HE2      TYR   4  -5.796   5.085  -7.165
   41    HH   TYR   4           HH       TYR   4  -4.394   4.767  -9.136
   42    H    ALA   5           HN       ALA   5  -5.141  -1.721  -4.259
   43    HA   ALA   5           HA       ALA   5  -4.547  -2.239  -1.424
   44    HB1  ALA   5           HB1      ALA   5  -4.845  -4.607  -1.895
   45    HB2  ALA   5           HB2      ALA   5  -5.145  -4.248  -3.595
   46    HB3  ALA   5           HB3      ALA   5  -6.281  -3.700  -2.364
   47    H    CYS   6           HN       CYS   6  -2.645  -3.238  -0.851
   48    HA   CYS   6           HA       CYS   6  -0.455  -2.837  -2.746
   49    HB2  CYS   6           HB2      CYS   6  -0.409  -1.905  -0.385
   50    HB3  CYS   6           HB1      CYS   6  -0.253  -3.571   0.173
   51    H    ASP   7           HN       ASP   7   0.333  -4.500  -3.825
   52    HA   ASP   7           HA       ASP   7  -0.436  -7.198  -3.121
   53    HB2  ASP   7           HB2      ASP   7   1.260  -6.194  -5.419
   54    HB3  ASP   7           HB1      ASP   7   0.673  -7.842  -5.220
   55    H    SER   8           HN       SER   8   1.292  -8.917  -3.289
   56    HA   SER   8           HA       SER   8   3.163  -9.917  -2.498
   57    HB2  SER   8           HB2      SER   8   4.417  -7.188  -2.896
   58    HB3  SER   8           HB1      SER   8   5.296  -8.699  -2.649
   59    HG   SER   8           HG       SER   8   4.042  -7.724  -4.910
   60    H    CYS   9           HN       CYS   9   1.289  -8.786  -0.669
   61    HA   CYS   9           HA       CYS   9   2.627  -9.262   1.739
   62    HB2  CYS   9           HB2      CYS   9   2.637  -7.088   2.807
   63    HB3  CYS   9           HB1      CYS   9   3.553  -6.958   1.303
   64    H    GLY  10           HN       GLY  10  -0.000  -7.389   0.269
   65    HA2  GLY  10           HA2      GLY  10  -2.265  -8.006   0.301
   66    HA3  GLY  10           HA1      GLY  10  -1.931  -9.085   1.647
   67    H    ASP  11           HN       ASP  11  -1.924  -5.578   0.887
   68    HA   ASP  11           HA       ASP  11  -3.324  -5.210   3.455
   69    HB2  ASP  11           HB2      ASP  11  -0.867  -4.403   3.391
   70    HB3  ASP  11           HB1      ASP  11  -1.474  -3.102   2.367
   71    H    LYS  12           HN       LYS  12  -5.008  -3.760   3.463
   72    HA   LYS  12           HA       LYS  12  -5.967  -3.030   0.772
   73    HB2  LYS  12           HB2      LYS  12  -7.717  -3.340   3.200
   74    HB3  LYS  12           HB1      LYS  12  -8.162  -3.476   1.504
   75    HG2  LYS  12           HG2      LYS  12  -6.398  -5.432   2.963
   76    HG3  LYS  12           HG1      LYS  12  -8.133  -5.634   2.718
   77    HD2  LYS  12           HD2      LYS  12  -6.317  -5.164   0.386
   78    HD3  LYS  12           HD1      LYS  12  -6.470  -6.776   1.088
   79    HE2  LYS  12           HE2      LYS  12  -8.716  -5.083  -0.008
   80    HE3  LYS  12           HE1      LYS  12  -8.006  -6.508  -0.771
   81    HZ1  LYS  12           HZ1      LYS  12  -9.596  -6.392   1.730
   82    HZ2  LYS  12           HZ2      LYS  12  -8.686  -7.753   1.284
   83    HZ3  LYS  12           HZ3      LYS  12  -9.963  -7.228   0.298
   84    H    PHE  13           HN       PHE  13  -5.561  -0.894   0.453
   85    HA   PHE  13           HA       PHE  13  -6.005   0.951   2.687
   86    HB2  PHE  13           HB2      PHE  13  -4.544   1.313   0.064
   87    HB3  PHE  13           HB1      PHE  13  -4.803   2.610   1.241
   88    HD1  PHE  13           HD1      PHE  13  -3.577   2.678   3.299
   89    HD2  PHE  13           HD2      PHE  13  -3.032  -0.525   0.553
   90    HE1  PHE  13           HE1      PHE  13  -1.545   2.000   4.502
   91    HE2  PHE  13           HE2      PHE  13  -0.997  -1.210   1.752
   92    HZ   PHE  13           HZ       PHE  13  -0.252   0.054   3.730
   93    H    LEU  14           HN       LEU  14  -7.221   2.865   2.411
   94    HA   LEU  14           HA       LEU  14  -9.304   2.607   0.345
   95    HB2  LEU  14           HB2      LEU  14  -9.381   3.998   3.023
   96    HB3  LEU  14           HB1      LEU  14 -10.679   4.044   1.843
   97    HG   LEU  14           HG       LEU  14  -9.661   1.577   3.258
   98   HD11  LEU  14          HD11      LEU  14 -12.265   3.070   3.502
   99   HD12  LEU  14          HD12      LEU  14 -10.962   3.068   4.691
  100   HD13  LEU  14          HD13      LEU  14 -11.837   1.577   4.340
  101   HD21  LEU  14          HD21      LEU  14 -11.531   0.432   2.173
  102   HD22  LEU  14          HD22      LEU  14 -10.387   1.064   0.988
  103   HD23  LEU  14          HD23      LEU  14 -11.910   1.904   1.275
  104    H    ASP  15           HN       ASP  15  -6.560   3.968   0.397
  105    HA   ASP  15           HA       ASP  15  -7.391   6.163  -1.263
  106    HB2  ASP  15           HB2      ASP  15  -6.177   7.912  -0.099
  107    HB3  ASP  15           HB1      ASP  15  -7.369   7.216   0.991
  108    H    ALA  16           HN       ALA  16  -5.332   7.282  -2.146
  109    HA   ALA  16           HA       ALA  16  -3.695   5.024  -3.065
  110    HB1  ALA  16           HB1      ALA  16  -4.858   6.317  -4.794
  111    HB2  ALA  16           HB2      ALA  16  -3.109   6.464  -4.956
  112    HB3  ALA  16           HB3      ALA  16  -4.040   7.783  -4.251
  113    H    ASN  17           HN       ASN  17  -3.602   8.107  -1.553
  114    HA   ASN  17           HA       ASN  17  -0.927   8.779  -1.690
  115    HB2  ASN  17           HB2      ASN  17  -2.549  10.349  -0.954
  116    HB3  ASN  17           HB1      ASN  17  -3.071   9.304   0.360
  117   HD21  ASN  17          HD21      ASN  17  -1.997   9.403   2.291
  118   HD22  ASN  17          HD22      ASN  17  -0.700  10.508   2.609
  119    H    SER  18           HN       SER  18  -2.596   6.890   0.827
  120    HA   SER  18           HA       SER  18  -0.146   6.337   2.237
  121    HB2  SER  18           HB2      SER  18  -2.290   6.484   3.433
  122    HB3  SER  18           HB1      SER  18  -2.907   5.114   2.515
  123    HG   SER  18           HG       SER  18  -0.527   4.849   4.013
  124    H    LEU  19           HN       LEU  19  -2.137   4.696  -0.141
  125    HA   LEU  19           HA       LEU  19  -0.962   2.142   0.070
  126    HB2  LEU  19           HB2      LEU  19  -3.094   2.595  -1.068
  127    HB3  LEU  19           HB1      LEU  19  -2.242   3.491  -2.305
  128    HG   LEU  19           HG       LEU  19  -3.027   1.044  -2.732
  129   HD11  LEU  19          HD11      LEU  19  -0.297   2.001  -3.527
  130   HD12  LEU  19          HD12      LEU  19  -1.817   2.349  -4.350
  131   HD13  LEU  19          HD13      LEU  19  -1.198   0.698  -4.303
  132   HD21  LEU  19          HD21      LEU  19  -0.367   0.558  -1.415
  133   HD22  LEU  19          HD22      LEU  19  -1.345  -0.638  -2.270
  134   HD23  LEU  19          HD23      LEU  19  -1.937   0.078  -0.769
  135    H    ALA  20           HN       ALA  20  -0.426   4.658  -2.383
  136    HA   ALA  20           HA       ALA  20   1.727   3.449  -3.675
  137    HB1  ALA  20           HB1      ALA  20   0.489   5.339  -4.608
  138    HB2  ALA  20           HB2      ALA  20   2.223   5.660  -4.592
  139    HB3  ALA  20           HB3      ALA  20   1.178   6.404  -3.383
  140    H    GLN  21           HN       GLN  21   1.795   5.687  -0.877
  141    HA   GLN  21           HA       GLN  21   4.647   5.798  -0.806
  142    HB2  GLN  21           HB2      GLN  21   4.449   6.943   1.233
  143    HB3  GLN  21           HB1      GLN  21   2.995   7.396   0.351
  144    HG2  GLN  21           HG2      GLN  21   1.674   5.862   1.603
  145    HG3  GLN  21           HG1      GLN  21   3.114   5.175   2.366
  146   HE21  GLN  21          HE21      GLN  21   0.945   7.893   2.219
  147   HE22  GLN  21          HE22      GLN  21   1.433   8.617   3.733
  148    H    HIS  22           HN       HIS  22   2.303   3.522   0.227
  149    HA   HIS  22           HA       HIS  22   3.971   2.214   2.160
  150    HB2  HIS  22           HB2      HIS  22   1.629   2.045   2.544
  151    HB3  HIS  22           HB1      HIS  22   1.324   1.506   0.886
  152    HD1  HIS  22           HD1      HIS  22   2.483   0.240   4.231
  153    HD2  HIS  22           HD2      HIS  22   1.729  -1.152   0.390
  154    HE1  HIS  22           HE1      HIS  22   2.654  -2.276   4.345
  155    H    VAL  23           HN       VAL  23   3.093   1.694  -1.240
  156    HA   VAL  23           HA       VAL  23   4.652  -0.664  -1.513
  157    HB   VAL  23           HB       VAL  23   4.754   0.764  -3.983
  158   HG11  VAL  23          HG11      VAL  23   2.997  -1.501  -3.062
  159   HG12  VAL  23          HG12      VAL  23   4.636  -1.664  -3.703
  160   HG13  VAL  23          HG13      VAL  23   3.334  -1.067  -4.737
  161   HG21  VAL  23          HG21      VAL  23   2.977   2.188  -3.133
  162   HG22  VAL  23          HG22      VAL  23   2.034   0.758  -2.705
  163   HG23  VAL  23          HG23      VAL  23   2.375   1.116  -4.398
  164    H    ARG  24           HN       ARG  24   5.354   2.700  -1.335
  165    HA   ARG  24           HA       ARG  24   8.061   2.576  -2.179
  166    HB2  ARG  24           HB2      ARG  24   6.744   4.484  -0.244
  167    HB3  ARG  24           HB1      ARG  24   8.349   4.683  -0.936
  168    HG2  ARG  24           HG2      ARG  24   7.370   4.811  -3.177
  169    HG3  ARG  24           HG1      ARG  24   5.760   4.652  -2.476
  170    HD2  ARG  24           HD2      ARG  24   6.181   6.720  -1.175
  171    HD3  ARG  24           HD1      ARG  24   7.725   6.891  -2.012
  172    HE   ARG  24           HE       ARG  24   5.732   6.635  -3.946
  173   HH11  ARG  24          HH11      ARG  24   6.724   8.927  -1.482
  174   HH12  ARG  24          HH12      ARG  24   6.057  10.293  -2.313
  175   HH21  ARG  24          HH21      ARG  24   4.835   8.410  -5.023
  176   HH22  ARG  24          HH22      ARG  24   4.977  10.011  -4.341
  177    H    ILE  25           HN       ILE  25   6.455   2.226   1.026
  178    HA   ILE  25           HA       ILE  25   8.790   2.090   2.523
  179    HB   ILE  25           HB       ILE  25   7.642   1.122   4.308
  180   HG12  ILE  25          HG12      ILE  25   5.515  -0.012   2.483
  181   HG13  ILE  25          HG11      ILE  25   6.941  -0.921   2.957
  182   HG21  ILE  25          HG21      ILE  25   6.679   3.261   3.706
  183   HG22  ILE  25          HG22      ILE  25   5.449   2.196   4.388
  184   HG23  ILE  25          HG23      ILE  25   5.517   2.461   2.645
  185   HD11  ILE  25          HD11      ILE  25   4.808   0.142   4.781
  186   HD12  ILE  25          HD12      ILE  25   6.277  -0.678   5.312
  187   HD13  ILE  25          HD13      ILE  25   5.087  -1.545   4.335
  188    H    HIS  26           HN       HIS  26   7.427  -0.233   0.364
  189    HA   HIS  26           HA       HIS  26   8.805  -2.527   1.292
  190    HB2  HIS  26           HB2      HIS  26   7.456  -1.807  -1.289
  191    HB3  HIS  26           HB1      HIS  26   8.410  -3.280  -1.172
  192    HD1  HIS  26           HD1      HIS  26   7.572  -4.456   1.476
  193    HD2  HIS  26           HD2      HIS  26   4.892  -2.586  -1.124
  194    HE1  HIS  26           HE1      HIS  26   5.268  -5.351   2.042
  195    H    THR  27           HN       THR  27   9.574  -0.083  -1.149
  196    HA   THR  27           HA       THR  27  12.063  -1.498  -1.766
  197    HB   THR  27           HB       THR  27  12.094   0.331  -3.638
  198    HG1  THR  27           HG1      THR  27   9.308   0.213  -3.469
  199   HG21  THR  27          HG21      THR  27  10.757  -1.117  -5.079
  200   HG22  THR  27          HG22      THR  27  10.060  -1.906  -3.664
  201   HG23  THR  27          HG23      THR  27  11.780  -2.081  -4.015
  202    H    ALA  28           HN       ALA  28  10.884   1.695  -0.779
  203    HA   ALA  28           HA       ALA  28  13.534   2.843  -0.832
  204    HB1  ALA  28           HB1      ALA  28  12.426   4.894  -0.114
  205    HB2  ALA  28           HB2      ALA  28  10.921   4.003   0.127
  206    HB3  ALA  28           HB3      ALA  28  11.599   4.168  -1.494
  207    H    GLN  29           HN       GLN  29  14.271   1.144   0.728
  208    HA   GLN  29           HA       GLN  29  14.732   2.395   3.225
  209    HB2  GLN  29           HB2      GLN  29  12.516   1.468   3.752
  210    HB3  GLN  29           HB1      GLN  29  13.073  -0.134   3.286
  211    HG2  GLN  29           HG2      GLN  29  14.781   0.006   5.092
  212    HG3  GLN  29           HG1      GLN  29  14.043   1.523   5.602
  213   HE21  GLN  29          HE21      GLN  29  12.228  -1.180   4.364
  214   HE22  GLN  29          HE22      GLN  29  11.457  -1.601   5.854
  Start of MODEL   20
    1    H1   HIS   1           HT1      HIS   1 -16.361  -1.033  -0.691
    2    H2   HIS   1           HT2      HIS   1 -15.712   0.438  -1.228
    3    H3   HIS   1           HT3      HIS   1 -16.914   0.429  -0.033
    4    HA   HIS   1           HA       HIS   1 -14.701   0.853   0.880
    5    HB2  HIS   1           HB2      HIS   1 -16.113  -1.697   1.656
    6    HB3  HIS   1           HB1      HIS   1 -14.744  -1.070   2.568
    7    HD1  HIS   1           HD1      HIS   1 -18.166  -1.198   2.938
    8    HD2  HIS   1           HD2      HIS   1 -15.465   1.962   3.043
    9    HE1  HIS   1           HE1      HIS   1 -19.308   0.629   4.229
   10    HE2  HIS   1           HE2      HIS   1 -17.731   2.592   4.123
   11    H    ILE   2           HN       ILE   2 -12.617   0.110   1.336
   12    HA   ILE   2           HA       ILE   2 -10.606  -0.805   0.818
   13    HB   ILE   2           HB       ILE   2 -12.230  -3.230   0.015
   14   HG12  ILE   2          HG12      ILE   2 -10.863  -2.574   2.639
   15   HG13  ILE   2          HG11      ILE   2 -12.605  -2.498   2.355
   16   HG21  ILE   2          HG21      ILE   2  -9.302  -2.961   0.690
   17   HG22  ILE   2          HG22      ILE   2  -9.982  -3.296  -0.904
   18   HG23  ILE   2          HG23      ILE   2 -10.150  -4.477   0.394
   19   HD11  ILE   2          HD11      ILE   2 -12.008  -4.527   3.526
   20   HD12  ILE   2          HD12      ILE   2 -10.886  -4.968   2.239
   21   HD13  ILE   2          HD13      ILE   2 -12.617  -4.907   1.915
   22    H    LEU   3           HN       LEU   3 -10.273   0.700  -0.831
   23    HA   LEU   3           HA       LEU   3 -11.125   0.034  -3.534
   24    HB2  LEU   3           HB2      LEU   3 -11.152   2.369  -2.275
   25    HB3  LEU   3           HB1      LEU   3  -9.512   2.458  -2.882
   26    HG   LEU   3           HG       LEU   3 -11.950   2.071  -4.626
   27   HD11  LEU   3          HD11      LEU   3 -10.326   4.555  -4.095
   28   HD12  LEU   3          HD12      LEU   3 -11.968   4.254  -3.524
   29   HD13  LEU   3          HD13      LEU   3 -11.647   4.407  -5.254
   30   HD21  LEU   3          HD21      LEU   3 -10.417   2.650  -6.452
   31   HD22  LEU   3          HD22      LEU   3  -9.908   1.181  -5.620
   32   HD23  LEU   3          HD23      LEU   3  -9.079   2.707  -5.306
   33    H    TYR   4           HN       TYR   4  -8.098   0.816  -1.821
   34    HA   TYR   4           HA       TYR   4  -6.607  -0.176  -4.156
   35    HB2  TYR   4           HB2      TYR   4  -5.746   1.695  -1.941
   36    HB3  TYR   4           HB1      TYR   4  -4.705   1.117  -3.237
   37    HD1  TYR   4           HD1      TYR   4  -5.390   1.624  -5.629
   38    HD2  TYR   4           HD2      TYR   4  -7.067   3.609  -2.265
   39    HE1  TYR   4           HE1      TYR   4  -6.132   3.443  -7.081
   40    HE2  TYR   4           HE2      TYR   4  -7.821   5.444  -3.718
   41    HH   TYR   4           HH       TYR   4  -7.848   5.217  -7.108
   42    H    ALA   5           HN       ALA   5  -4.772  -1.541  -3.810
   43    HA   ALA   5           HA       ALA   5  -4.647  -2.807  -1.169
   44    HB1  ALA   5           HB1      ALA   5  -4.706  -5.024  -2.124
   45    HB2  ALA   5           HB2      ALA   5  -4.846  -4.353  -3.750
   46    HB3  ALA   5           HB3      ALA   5  -6.160  -4.140  -2.591
   47    H    CYS   6           HN       CYS   6  -2.650  -3.093  -0.478
   48    HA   CYS   6           HA       CYS   6  -0.373  -2.557  -2.106
   49    HB2  CYS   6           HB2      CYS   6  -0.050  -2.076   0.175
   50    HB3  CYS   6           HB1      CYS   6  -0.732  -3.618   0.694
   51    H    ASP   7           HN       ASP   7   0.371  -3.894  -3.609
   52    HA   ASP   7           HA       ASP   7  -0.177  -6.728  -3.467
   53    HB2  ASP   7           HB2      ASP   7   1.150  -4.981  -5.532
   54    HB3  ASP   7           HB1      ASP   7   1.194  -6.739  -5.640
   55    H    SER   8           HN       SER   8   1.711  -8.209  -4.070
   56    HA   SER   8           HA       SER   8   3.499  -9.329  -3.307
   57    HB2  SER   8           HB2      SER   8   5.662  -8.152  -3.258
   58    HB3  SER   8           HB1      SER   8   4.727  -7.760  -4.699
   59    HG   SER   8           HG       SER   8   4.056  -5.949  -2.955
   60    H    CYS   9           HN       CYS   9   1.642  -8.092  -1.290
   61    HA   CYS   9           HA       CYS   9   2.907  -9.201   0.956
   62    HB2  CYS   9           HB2      CYS   9   4.110  -7.482   1.714
   63    HB3  CYS   9           HB1      CYS   9   3.381  -6.353   0.575
   64    H    GLY  10           HN       GLY  10   0.453  -6.668   0.216
   65    HA2  GLY  10           HA2      GLY  10  -1.856  -7.333   0.089
   66    HA3  GLY  10           HA1      GLY  10  -1.529  -8.555   1.303
   67    H    ASP  11           HN       ASP  11  -2.005  -5.107   0.756
   68    HA   ASP  11           HA       ASP  11  -3.129  -4.956   3.464
   69    HB2  ASP  11           HB2      ASP  11  -1.377  -2.767   2.300
   70    HB3  ASP  11           HB1      ASP  11  -2.178  -2.748   3.865
   71    H    LYS  12           HN       LYS  12  -5.123  -4.126   3.440
   72    HA   LYS  12           HA       LYS  12  -6.068  -3.122   0.859
   73    HB2  LYS  12           HB2      LYS  12  -7.475  -4.339   3.224
   74    HB3  LYS  12           HB1      LYS  12  -8.360  -3.509   1.952
   75    HG2  LYS  12           HG2      LYS  12  -8.452  -5.785   1.396
   76    HG3  LYS  12           HG1      LYS  12  -7.238  -5.094   0.321
   77    HD2  LYS  12           HD2      LYS  12  -6.424  -7.196   1.153
   78    HD3  LYS  12           HD1      LYS  12  -5.479  -5.899   1.886
   79    HE2  LYS  12           HE2      LYS  12  -6.854  -6.051   3.911
   80    HE3  LYS  12           HE1      LYS  12  -7.783  -7.357   3.175
   81    HZ1  LYS  12           HZ1      LYS  12  -5.811  -8.718   3.114
   82    HZ2  LYS  12           HZ2      LYS  12  -6.062  -8.162   4.696
   83    HZ3  LYS  12           HZ3      LYS  12  -4.868  -7.455   3.733
   84    H    PHE  13           HN       PHE  13  -5.659  -1.003   0.772
   85    HA   PHE  13           HA       PHE  13  -6.583   0.748   2.947
   86    HB2  PHE  13           HB2      PHE  13  -4.759   1.216   0.582
   87    HB3  PHE  13           HB1      PHE  13  -5.352   2.524   1.607
   88    HD1  PHE  13           HD1      PHE  13  -4.440   2.902   3.772
   89    HD2  PHE  13           HD2      PHE  13  -3.196  -0.452   1.469
   90    HE1  PHE  13           HE1      PHE  13  -2.542   2.561   5.300
   91    HE2  PHE  13           HE2      PHE  13  -1.298  -0.799   2.996
   92    HZ   PHE  13           HZ       PHE  13  -0.968   0.708   4.912
   93    H    LEU  14           HN       LEU  14  -7.462   2.926   2.048
   94    HA   LEU  14           HA       LEU  14  -8.958   2.524  -0.450
   95    HB2  LEU  14           HB2      LEU  14 -10.891   3.653   0.400
   96    HB3  LEU  14           HB1      LEU  14 -10.506   2.315   1.460
   97    HG   LEU  14           HG       LEU  14  -9.705   5.150   2.097
   98   HD11  LEU  14          HD11      LEU  14 -12.132   5.053   1.811
   99   HD12  LEU  14          HD12      LEU  14 -11.693   5.267   3.505
  100   HD13  LEU  14          HD13      LEU  14 -12.208   3.684   2.919
  101   HD21  LEU  14          HD21      LEU  14  -9.596   4.290   4.380
  102   HD22  LEU  14          HD22      LEU  14  -8.528   3.379   3.314
  103   HD23  LEU  14          HD23      LEU  14 -10.074   2.693   3.810
  104    H    ASP  15           HN       ASP  15  -6.617   4.151   1.066
  105    HA   ASP  15           HA       ASP  15  -7.023   6.641  -0.440
  106    HB2  ASP  15           HB2      ASP  15  -5.179   5.927   1.848
  107    HB3  ASP  15           HB1      ASP  15  -5.012   7.414   0.924
  108    H    ALA  16           HN       ALA  16  -5.276   7.398  -1.785
  109    HA   ALA  16           HA       ALA  16  -3.939   5.109  -3.054
  110    HB1  ALA  16           HB1      ALA  16  -3.593   6.615  -4.958
  111    HB2  ALA  16           HB2      ALA  16  -4.328   7.936  -4.051
  112    HB3  ALA  16           HB3      ALA  16  -5.298   6.537  -4.512
  113    H    ASN  17           HN       ASN  17  -3.408   8.315  -1.825
  114    HA   ASN  17           HA       ASN  17  -0.675   8.601  -2.135
  115    HB2  ASN  17           HB2      ASN  17  -2.134  10.410  -1.469
  116    HB3  ASN  17           HB1      ASN  17  -2.551   9.573   0.021
  117   HD21  ASN  17          HD21      ASN  17  -0.102  11.373  -1.678
  118   HD22  ASN  17          HD22      ASN  17   0.892  11.712  -0.306
  119    H    SER  18           HN       SER  18  -2.492   7.186   0.552
  120    HA   SER  18           HA       SER  18  -0.147   6.578   2.077
  121    HB2  SER  18           HB2      SER  18  -2.943   5.479   2.429
  122    HB3  SER  18           HB1      SER  18  -1.665   5.556   3.644
  123    HG   SER  18           HG       SER  18  -1.758   7.919   3.282
  124    H    LEU  19           HN       LEU  19  -1.869   5.014  -0.441
  125    HA   LEU  19           HA       LEU  19  -1.025   2.341   0.239
  126    HB2  LEU  19           HB2      LEU  19  -3.147   2.843  -0.966
  127    HB3  LEU  19           HB1      LEU  19  -2.202   3.402  -2.330
  128    HG   LEU  19           HG       LEU  19  -3.206   1.043  -2.394
  129   HD11  LEU  19          HD11      LEU  19  -1.357   0.161  -3.693
  130   HD12  LEU  19          HD12      LEU  19  -0.292   1.393  -3.019
  131   HD13  LEU  19          HD13      LEU  19  -1.637   1.865  -4.057
  132   HD21  LEU  19          HD21      LEU  19  -0.801   0.499  -0.674
  133   HD22  LEU  19          HD22      LEU  19  -1.808  -0.724  -1.445
  134   HD23  LEU  19          HD23      LEU  19  -2.488   0.312  -0.191
  135    H    ALA  20           HN       ALA  20  -0.383   4.514  -2.498
  136    HA   ALA  20           HA       ALA  20   1.730   3.073  -3.610
  137    HB1  ALA  20           HB1      ALA  20   0.597   4.906  -4.762
  138    HB2  ALA  20           HB2      ALA  20   2.342   5.148  -4.750
  139    HB3  ALA  20           HB3      ALA  20   1.317   6.068  -3.649
  140    H    GLN  21           HN       GLN  21   1.852   5.610  -1.087
  141    HA   GLN  21           HA       GLN  21   4.681   5.631  -0.886
  142    HB2  GLN  21           HB2      GLN  21   4.435   6.886   1.080
  143    HB3  GLN  21           HB1      GLN  21   2.993   7.293   0.155
  144    HG2  GLN  21           HG2      GLN  21   1.621   5.928   1.486
  145    HG3  GLN  21           HG1      GLN  21   3.012   5.108   2.207
  146   HE21  GLN  21          HE21      GLN  21   2.260   5.575   4.276
  147   HE22  GLN  21          HE22      GLN  21   2.395   7.175   4.961
  148    H    HIS  22           HN       HIS  22   2.215   3.531   0.286
  149    HA   HIS  22           HA       HIS  22   3.760   2.272   2.322
  150    HB2  HIS  22           HB2      HIS  22   1.374   2.230   2.533
  151    HB3  HIS  22           HB1      HIS  22   1.188   1.517   0.926
  152    HD1  HIS  22           HD1      HIS  22   2.267   0.612   4.433
  153    HD2  HIS  22           HD2      HIS  22   1.405  -1.190   0.791
  154    HE1  HIS  22           HE1      HIS  22   2.265  -1.874   4.848
  155    H    VAL  23           HN       VAL  23   2.934   1.500  -1.037
  156    HA   VAL  23           HA       VAL  23   4.477  -0.894  -1.025
  157    HB   VAL  23           HB       VAL  23   4.456  -0.068  -3.669
  158   HG11  VAL  23          HG11      VAL  23   3.966  -2.301  -2.812
  159   HG12  VAL  23          HG12      VAL  23   2.713  -1.751  -3.928
  160   HG13  VAL  23          HG13      VAL  23   2.422  -1.716  -2.188
  161   HG21  VAL  23          HG21      VAL  23   1.849   0.685  -2.384
  162   HG22  VAL  23          HG22      VAL  23   2.174   0.621  -4.120
  163   HG23  VAL  23          HG23      VAL  23   2.999   1.808  -3.111
  164    H    ARG  24           HN       ARG  24   5.226   2.449  -1.272
  165    HA   ARG  24           HA       ARG  24   7.879   2.180  -2.270
  166    HB2  ARG  24           HB2      ARG  24   6.723   4.266  -0.418
  167    HB3  ARG  24           HB1      ARG  24   8.310   4.360  -1.173
  168    HG2  ARG  24           HG2      ARG  24   7.263   4.374  -3.385
  169    HG3  ARG  24           HG1      ARG  24   5.673   4.317  -2.625
  170    HD2  ARG  24           HD2      ARG  24   6.151   6.457  -1.511
  171    HD3  ARG  24           HD1      ARG  24   7.717   6.514  -2.322
  172    HE   ARG  24           HE       ARG  24   5.976   6.246  -4.375
  173   HH11  ARG  24          HH11      ARG  24   6.173   8.480  -1.677
  174   HH12  ARG  24          HH12      ARG  24   5.389   9.770  -2.533
  175   HH21  ARG  24          HH21      ARG  24   4.965   7.961  -5.508
  176   HH22  ARG  24          HH22      ARG  24   4.708   9.489  -4.703
  177    H    ILE  25           HN       ILE  25   6.460   2.174   1.028
  178    HA   ILE  25           HA       ILE  25   8.951   1.909   2.301
  179    HB   ILE  25           HB       ILE  25   7.893   1.305   4.309
  180   HG12  ILE  25          HG12      ILE  25   5.374   0.560   2.801
  181   HG13  ILE  25          HG11      ILE  25   6.580  -0.608   3.323
  182   HG21  ILE  25          HG21      ILE  25   5.954   2.997   2.743
  183   HG22  ILE  25          HG22      ILE  25   7.378   3.562   3.615
  184   HG23  ILE  25          HG23      ILE  25   6.017   2.875   4.502
  185   HD11  ILE  25          HD11      ILE  25   4.759  -0.587   4.873
  186   HD12  ILE  25          HD12      ILE  25   4.914   1.158   5.090
  187   HD13  ILE  25          HD13      ILE  25   6.191   0.083   5.656
  188    H    HIS  26           HN       HIS  26   7.296  -0.262   0.340
  189    HA   HIS  26           HA       HIS  26   8.481  -2.650   1.496
  190    HB2  HIS  26           HB2      HIS  26   6.579  -2.160  -0.776
  191    HB3  HIS  26           HB1      HIS  26   7.352  -3.730  -0.561
  192    HD1  HIS  26           HD1      HIS  26   7.048  -4.592   2.127
  193    HD2  HIS  26           HD2      HIS  26   4.195  -2.054   0.440
  194    HE1  HIS  26           HE1      HIS  26   4.959  -4.829   3.532
  195    H    THR  27           HN       THR  27   9.098  -0.426  -1.107
  196    HA   THR  27           HA       THR  27  10.912  -2.297  -2.399
  197    HB   THR  27           HB       THR  27  11.221  -0.274  -3.986
  198    HG1  THR  27           HG1      THR  27   9.931   1.397  -3.676
  199   HG21  THR  27          HG21      THR  27   8.573  -1.709  -3.739
  200   HG22  THR  27          HG22      THR  27   9.999  -2.285  -4.604
  201   HG23  THR  27          HG23      THR  27   9.137  -0.857  -5.178
  202    H    ALA  28           HN       ALA  28  11.283  -0.710   0.258
  203    HA   ALA  28           HA       ALA  28  13.928   0.403  -0.356
  204    HB1  ALA  28           HB1      ALA  28  12.275   0.603   2.162
  205    HB2  ALA  28           HB2      ALA  28  12.445   1.853   0.926
  206    HB3  ALA  28           HB3      ALA  28  13.838   1.369   1.895
  207    H    GLN  29           HN       GLN  29  15.004  -1.568  -0.655
  208    HA   GLN  29           HA       GLN  29  16.343  -3.292  -0.041
  209    HB2  GLN  29           HB2      GLN  29  15.749  -2.378   2.776
  210    HB3  GLN  29           HB1      GLN  29  16.941  -3.593   2.347
  211    HG2  GLN  29           HG2      GLN  29  17.014  -0.750   1.374
  212    HG3  GLN  29           HG1      GLN  29  17.861  -1.329   2.806
  213   HE21  GLN  29          HE21      GLN  29  19.860  -0.843   2.001
  214   HE22  GLN  29          HE22      GLN  29  20.606  -1.748   0.720