*HEADER    RIBOSOMAL PROTEIN                       25-DEC-18   6QBZ              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE STAPHYLOCOCCUS     
*TITLE    2 AUREUS HIBERNATION PROMOTING FACTOR                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RIBOSOME HIBERNATION PROMOTING FACTOR;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 SYNONYM: HPF;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 ORGANISM_TAXID: 1280;                                                
*SOURCE   4 GENE: HPF, RAIA, BN1321_170086, BTN44_08780, C0J46_03720,            
*SOURCE   5 C7Q89_05535, CSC83_13900, CSC87_08515, CV021_09125, EP54_02760,      
*SOURCE   6 EQ90_03750, ERS072840_01629, HMPREF3211_01097, NCTC10654_00858,      
*SOURCE   7 NCTC11940_00726, NCTC13131_00825, NCTC13196_00432, NCTC13812_00784,  
*SOURCE   8 NCTC6133_00902, NCTC7878_03405, NCTC9944_00832, RK64_04495,          
*SOURCE   9 SAMEA1466939_00154, SAMEA1469870_00863, SAMEA1531701_00565,          
*SOURCE  10 SAMEA1708664_00330, SAMEA1708674_00592;                              
*SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE  12 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE  13 EXPRESSION_SYSTEM_VARIANT: STAR;                                     
*SOURCE  14 EXPRESSION_SYSTEM_PLASMID: PGS21A                                    
*KEYWDS    HIBERNATION PROMOTING FACTOR, STAPHYLOCOCCUS AUREUS, 100S RIBOSOME,   
*KEYWDS   2 RIBOSOMAL PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.S.USACHEV,S.Z.VALIDOV,I.SH.KHUSAINOV,V.V.KLOCHKOV,A.V.AGANOV,       
*AUTHOR   2 M.M.YUSUPOV                                                          
*REVDAT   1   19-JUN-19 6QBZ    0                                                
# Restraints file 1: noe181225.tbl
# H-BONDS 
40AlaO-5GluH	2.20000	2.70000	1.73000
40AlaO-5GluN	3.20000	3.92727	2.51636
5GluO-42ValH	2.20000	2.70000	1.73000
42ValO-7HisH	2.20000	2.70000	1.73000
5GluO-42ValN	3.20000	3.92727	2.51636
42ValO-7HisN	3.20000	3.92727	2.51636
7HisO-44ValH	2.20000	2.70000	1.73000
7HisO-44ValN	3.20000	3.92727	2.51636
41HisH-57ThrO	2.20000	2.70000	1.73000
41HisN-57ThrO	3.20000	3.92727	2.51636
41HisO-57ThrH	2.20000	2.70000	1.73000
57ThrN-41HisO	3.20000	3.92727	2.51636
43LysH-55GluO	2.20000	2.70000	1.73000
43LysN-55GluO	3.20000	3.92727	2.51636
43LysO-55GluH	2.20000	2.70000	1.73000
55GluN-43LysO	3.20000	3.92727	2.51636
45LysH-53LysO	2.20000	2.70000	1.73000
45LysN-53LysO	3.20000	3.92727	2.51636
53LysH-45LysO	2.20000	2.70000	1.73000
53LysN-45LysO	3.20000	3.92727	2.51636
69GluO-54IleH	2.20000	2.70000	1.73000
54IleN-69GluO	3.20000	3.92727	2.51636
54IleO-69GluH	2.20000	2.70000	1.73000
56ValH-67AlaO	2.20000	2.70000	1.73000
56ValN-67AlaO	3.20000	3.92727	2.51636
69GluN-54IleO	3.20000	3.92727	2.51636
56ValO-67AlaH	2.20000	2.70000	1.73000
67AlaN-56ValO	3.20000	3.92727	2.51636
65LeuO-58IleH	2.20000	2.70000	1.73000
58IleO-65LeuH	2.20000	2.70000	1.73000
15AspO-19AsnH	2.20000	2.70000	1.73000
15AspO-19AsnN	3.20000	3.92727	2.51636
65LeuN-58IleO	3.20000	3.92727	2.51636
58IleN-65LeuO	3.20000	3.92727	2.51636
16AlaO-20TyrH	2.20000	2.70000	1.73000
27LysO-31TyrH	2.20000	2.70000	1.73000
16AlaO-20TyrN	3.20000	3.92727	2.51636
27LysO-31TyrN	3.20000	3.92727	2.51636
17IleO-21IleH	2.20000	2.70000	1.73000
18ArgO-22GluH	2.20000	2.70000	1.73000
19AsnO-23GluH	2.20000	2.70000	1.73000
20TyrO-24LysH	2.20000	2.70000	1.73000
21IleO-25IleH	2.20000	2.70000	1.73000
22GluO-26GlyH	2.20000	2.70000	1.73000
23GluO-27LysH	2.20000	2.70000	1.73000
24LysO-28LeuH	2.20000	2.70000	1.73000
25IleO-29GluH	2.20000	2.70000	1.73000
26GlyO-30ArgH	2.20000	2.70000	1.73000
88GlnO-92TyrH	2.20000	2.70000	1.73000
87ArgO-91LysH	2.20000	2.70000	1.73000
74LeuO-78IleH	2.20000	2.70000	1.73000
75TyrO-79AspH	2.20000	2.70000	1.73000
76AlaO-80LeuH	2.20000	2.70000	1.73000
77GlyO-81IleH	2.20000	2.70000	1.73000
78IleO-82AsnH	2.20000	2.70000	1.73000
79AspO-83AsnH	2.20000	2.70000	1.73000
80LeuO-84LysH	2.20000	2.70000	1.73000
81IleO-85LeuH	2.20000	2.70000	1.73000
82AsnO-86GluH	2.20000	2.70000	1.73000
83AsnO-87ArgH	2.20000	2.70000	1.73000
84LysO-88GlnH	2.20000	2.70000	1.73000
85LeuO-89ValH	2.20000	2.70000	1.73000
86GluO-90ArgH	2.20000	2.70000	1.73000
89ValO-93LysH	2.20000	2.70000	1.73000
90ArgO-94ThrH	2.20000	2.70000	1.73000
91LysO-95ArgH	2.20000	2.70000	1.73000
92TyrO-96IleH	2.20000	2.70000	1.73000
97AsnH-93LysO	2.20000	2.70000	1.73000
94ThrO-98ArgH	2.20000	2.70000	1.73000
95ArgO-99LysH	2.20000	2.70000	1.73000
78IleO-82AsnN	3.20000	3.92727	2.51636
86GluO-90ArgN	3.20000	3.92727	2.51636
92TyrO-96IleN	3.20000	3.92727	2.51636
26GlyO-30ArgN	3.20000	3.92727	2.51636
85LeuO-89ValN	3.20000	3.92727	2.51636
19AsnO-23GluN	3.20000	3.92727	2.51636
21IleO-25IleN	3.20000	3.92727	2.51636
80LeuO-84LysN	3.20000	3.92727	2.51636
87ArgO-91LysN	3.20000	3.92727	2.51636
25IleO-29GluN	3.20000	3.92727	2.51636
24LysO-28LeuN	3.20000	3.92727	2.51636
74LeuO-78IleN	3.20000	3.92727	2.51636
84LysO-88GlnN	3.20000	3.92727	2.51636
90ArgO-94ThrN	3.20000	3.92727	2.51636
79AspO-83AsnN	3.20000	3.92727	2.51636
77GlyO-81IleN	3.20000	3.92727	2.51636
23GluO-27LysN	3.20000	3.92727	2.51636
17IleO-21IleN	3.20000	3.92727	2.51636
83AsnO-87ArgN	3.20000	3.92727	2.51636
75TyrO-79AspN	3.20000	3.92727	2.51636
20TyrO-24LysN	3.20000	3.92727	2.51636
76AlaO-80LeuN	3.20000	3.92727	2.51636
91LysO-95ArgN	3.20000	3.92727	2.51636
82AsnO-86GluN	3.20000	3.92727	2.51636
81IleO-85LeuN	3.20000	3.92727	2.51636
95ArgO-99LysN	3.20000	3.92727	2.51636
22GluO-26GlyN	3.20000	3.92727	2.51636
94ThrO-98ArgN	3.20000	3.92727	2.51636
88GlnO-92TyrN	3.20000	3.92727	2.51636
93LysO-97AsnN	3.20000	3.92727	2.51636
18ArgO-22GluN	3.20000	3.92727	2.51636
89ValO-93LysN	3.20000	3.92727	2.51636
# NOES

assign ( resid  77  and name H  )   ( resid  77  and name HA3   ) 2.8 1.0 1.4 volume=7189658.000 peak=1 ppm1=8.499 ppm2=3.642

assign ( resid  77  and name H  )   ( resid  76  and name HB#   ) 3.3 1.6 1.7 volume=2323586.938 peak=2 ppm1=8.498 ppm2=1.433

assign ( resid  77  and name H  )   ( resid  76  and name H   ) 3.4 1.7 1.7 volume=1936285.125 peak=3 ppm1=8.500 ppm2=7.604

assign ( resid  2  and name H  )   ( resid  1  and name HA   ) 3.1 1.4 1.5 volume=3790123.938 peak=4 ppm1=8.798 ppm2=4.237

assign ( resid  2  and name H  )   ( resid  2  and name HB   ) 3.3 1.6 1.6 volume=2463241.312 peak=5 ppm1=8.798 ppm2=1.499

assign ( resid  2  and name H  )   ( resid  1  and name HB3   ) 4.0 2.0 2.0 volume=738629.625 peak=6 ppm1=8.797 ppm2=2.184

assign ( resid  3  and name H  )   ( resid  3  and name HA   ) 3.3 1.6 1.6 volume=2459023.625 peak=7 ppm1=8.138 ppm2=4.516

assign ( resid  3  and name H  )   ( resid  2  and name HA   ) 2.8 1.1 1.4 volume=6567884.750 peak=8 ppm1=8.129 ppm2=4.325

assign ( resid  3  and name H  )   ( resid  3  and name HB2   ) 3.5 1.7 1.7 volume=1785779.562 peak=9 ppm1=8.131 ppm2=1.676

assign ( resid  3  and name H  )   ( resid  3  and name HB3   ) 3.6 1.8 1.8 volume=1577200.625 peak=10 ppm1=8.131 ppm2=1.746

assign ( resid  3  and name H  )   ( resid  3  and name HG2   ) 3.6 1.8 1.8 volume=1450491.688 peak=11 ppm1=8.128 ppm2=1.527

assign ( resid  3  and name H  )   ( resid  2  and name HD1#   ) 4.2 2.1 1.8 volume=544127.188 peak=12 ppm1=8.133 ppm2=0.691

assign ( resid  4  and name H  )   ( resid  4  and name HD#   ) 3.3 1.6 1.6 volume=2538450.562 peak=13 ppm1=8.905 ppm2=7.064

assign ( resid  4  and name H  )   ( resid  4  and name HA   ) 3.9 1.9 1.9 volume=960489.250 peak=14 ppm1=8.911 ppm2=4.937

assign ( resid  4  and name H  )   ( resid  3  and name HA   ) 2.7 1.0 1.4 volume=7962677.812 peak=15 ppm1=8.909 ppm2=4.544

assign ( resid  4  and name H  )   ( resid  4  and name HB3   ) 3.2 1.4 1.6 volume=3176495.312 peak=16 ppm1=8.908 ppm2=3.052

assign ( resid  4  and name H  )   ( resid  4  and name HB2   ) 3.8 1.9 1.9 volume=977026.250 peak=17 ppm1=8.907 ppm2=2.567

assign ( resid  4  and name H  )   ( resid  3  and name HB3   ) 3.7 1.8 1.8 volume=1275811.688 peak=18 ppm1=8.913 ppm2=1.752

assign ( resid  4  and name H  )   ( resid  3  and name HB2   ) 3.7 1.8 1.8 volume=1247085.938 peak=19 ppm1=8.910 ppm2=1.667

assign ( resid  5  and name H  )   ( resid  4  and name HA   ) 2.8 1.1 1.4 volume=7012509.062 peak=20 ppm1=8.785 ppm2=4.939

assign ( resid  5  and name H  )   ( resid  5  and name HA   ) 3.8 1.9 1.9 volume=1084107.375 peak=21 ppm1=8.785 ppm2=4.574

assign ( resid  5  and name H  )   ( resid  4  and name HB2   ) 4.6 2.3 1.4 volume=339183.375 peak=22 ppm1=8.781 ppm2=2.561

assign ( resid  5  and name H  )   ( resid  5  and name HB2   ) 3.5 1.7 1.7 volume=1792812.062 peak=23 ppm1=8.789 ppm2=1.702

assign ( resid  5  and name H  )   ( resid  5  and name HB3   ) 3.8 1.9 1.9 volume=1105240.625 peak=24 ppm1=8.787 ppm2=1.960

assign ( resid  6  and name H  )   ( resid  5  and name HA   ) 2.7 1.0 1.3 volume=8574109.875 peak=25 ppm1=8.604 ppm2=4.577

assign ( resid  6  and name H  )   ( resid  6  and name HB   ) 3.1 1.4 1.5 volume=3738940.812 peak=26 ppm1=8.604 ppm2=1.725

assign ( resid  6  and name H  )   ( resid  5  and name HB3   ) 4.2 2.1 1.8 volume=570758.125 peak=27 ppm1=8.608 ppm2=1.957

assign ( resid  6  and name H  )   ( resid  6  and name HD1#   ) 3.6 1.8 1.8 volume=1431164.500 peak=28 ppm1=8.603 ppm2=0.819

assign ( resid  6  and name H  )   ( resid  6  and name HG2#   ) 4.0 2.0 2.0 volume=797343.750 peak=29 ppm1=8.602 ppm2=0.738

assign ( resid  7  and name H  )   ( resid  6  and name HA   ) 2.7 1.0 1.3 volume=8390497.438 peak=30 ppm1=9.139 ppm2=4.915

assign ( resid  7  and name H  )   ( resid  7  and name HB2   ) 3.6 1.8 1.8 volume=1380683.375 peak=31 ppm1=9.144 ppm2=3.063

assign ( resid  7  and name H  )   ( resid  7  and name HB3   ) 4.0 2.0 2.0 volume=810940.688 peak=32 ppm1=9.144 ppm2=3.236

assign ( resid  7  and name H  )   ( resid  42  and name HB   ) 4.2 2.1 1.8 volume=594383.625 peak=33 ppm1=9.139 ppm2=2.241

assign ( resid  7  and name H  )   ( resid  6  and name HG2#   ) 3.3 1.5 1.6 volume=2609106.938 peak=34 ppm1=9.140 ppm2=0.714

assign ( resid  8  and name H  )   ( resid  8  and name HA2   ) 3.9 2.0 2.0 volume=901137.000 peak=35 ppm1=8.681 ppm2=3.759

assign ( resid  8  and name H  )   ( resid  8  and name HA3   ) 2.8 1.0 1.4 volume=7183264.188 peak=36 ppm1=8.681 ppm2=4.703

assign ( resid  8  and name H  )   ( resid  7  and name HA   ) 3.2 1.5 1.6 volume=2904964.438 peak=37 ppm1=8.681 ppm2=4.978

assign ( resid  9  and name H  )   ( resid  9  and name HA   ) 2.7 1.0 1.3 volume=8256418.812 peak=38 ppm1=8.670 ppm2=4.698

assign ( resid  9  and name H  )   ( resid  8  and name HA2   ) 3.8 1.9 1.9 volume=1108218.812 peak=39 ppm1=8.671 ppm2=3.760

assign ( resid  9  and name H  )   ( resid  9  and name HB3   ) 3.9 1.9 1.9 volume=969919.000 peak=40 ppm1=8.676 ppm2=2.556

assign ( resid  10  and name H  )   ( resid  9  and name HA   ) 2.7 1.0 1.4 volume=8041380.875 peak=41 ppm1=8.429 ppm2=4.699

assign ( resid  10  and name H  )   ( resid  10  and name HA   ) 3.9 2.0 2.0 volume=854048.625 peak=42 ppm1=8.436 ppm2=4.397

assign ( resid  11  and name H  )   ( resid  11  and name HA   ) 3.8 1.9 1.9 volume=986781.750 peak=43 ppm1=7.576 ppm2=4.401

assign ( resid  12  and name H  )   ( resid  11  and name H   ) 4.6 2.3 1.4 volume=349907.750 peak=44 ppm1=8.171 ppm2=7.575

assign ( resid  12  and name H  )   ( resid  12  and name HB   ) 3.8 1.9 1.9 volume=1119659.312 peak=45 ppm1=8.171 ppm2=3.968

assign ( resid  12  and name H  )   ( resid  12  and name HA   ) 4.0 2.0 2.0 volume=725033.000 peak=46 ppm1=8.169 ppm2=4.173

assign ( resid  12  and name H  )   ( resid  11  and name HA   ) 3.4 1.7 1.7 volume=1895862.688 peak=47 ppm1=8.167 ppm2=4.412

assign ( resid  13  and name H  )   ( resid  12  and name HA   ) 3.7 1.8 1.8 volume=1264371.000 peak=48 ppm1=8.535 ppm2=4.186

assign ( resid  13  and name H  )   ( resid  13  and name HA   ) 4.4 2.2 1.6 volume=418901.438 peak=49 ppm1=8.535 ppm2=3.991

assign ( resid  13  and name H  )   ( resid  13  and name HB   ) 4.0 2.0 2.0 volume=830076.750 peak=50 ppm1=8.536 ppm2=2.113

assign ( resid  14  and name H  )   ( resid  13  and name HA   ) 2.9 1.2 1.5 volume=5255241.250 peak=51 ppm1=7.001 ppm2=3.978

assign ( resid  14  and name H  )   ( resid  14  and name HA   ) 4.0 2.0 2.0 volume=814425.062 peak=52 ppm1=7.002 ppm2=4.421

assign ( resid  14  and name H  )   ( resid  17  and name HB   ) 3.4 1.7 1.7 volume=2024654.812 peak=53 ppm1=7.002 ppm2=1.815

assign ( resid  14  and name H  )   ( resid  13  and name HG13   ) 3.1 1.4 1.6 volume=3421784.812 peak=54 ppm1=7.001 ppm2=1.287

assign ( resid  14  and name H  )   ( resid  13  and name HG2#   ) 3.3 1.5 1.6 volume=2683289.250 peak=55 ppm1=7.001 ppm2=0.759

assign ( resid  14  and name H  )   ( resid  17  and name HD1#   ) 3.4 1.6 1.7 volume=2200019.750 peak=56 ppm1=7.002 ppm2=0.651

assign ( resid  15  and name H  )   ( resid  15  and name HB3   ) 3.9 1.9 1.9 volume=945979.938 peak=57 ppm1=8.813 ppm2=2.761

assign ( resid  15  and name H  )   ( resid  15  and name HB2   ) 4.6 2.3 1.4 volume=334409.438 peak=58 ppm1=8.814 ppm2=3.146

assign ( resid  15  and name H  )   ( resid  14  and name HG2#   ) 3.9 2.0 2.0 volume=858356.438 peak=59 ppm1=8.813 ppm2=1.226

assign ( resid  16  and name H  )   ( resid  17  and name H   ) 4.2 2.1 1.8 volume=586850.688 peak=60 ppm1=8.156 ppm2=7.363

assign ( resid  16  and name H  )   ( resid  16  and name HA   ) 3.5 1.7 1.7 volume=1789011.188 peak=61 ppm1=8.157 ppm2=4.177

assign ( resid  16  and name H  )   ( resid  16  and name HB#   ) 3.0 1.3 1.5 volume=4168553.188 peak=62 ppm1=8.156 ppm2=1.470

assign ( resid  17  and name H  )   ( resid  18  and name H   ) 3.3 1.6 1.6 volume=2580067.000 peak=63 ppm1=7.369 ppm2=8.340

assign ( resid  17  and name H  )   ( resid  17  and name HA   ) 3.5 1.8 1.8 volume=1716818.000 peak=64 ppm1=7.372 ppm2=3.758

assign ( resid  17  and name H  )   ( resid  17  and name HB   ) 3.0 1.2 1.5 volume=4761970.750 peak=65 ppm1=7.370 ppm2=1.807

assign ( resid  17  and name H  )   ( resid  16  and name HB#   ) 3.2 1.5 1.6 volume=2832186.000 peak=66 ppm1=7.369 ppm2=1.477

assign ( resid  17  and name H  )   ( resid  17  and name HG2#   ) 3.5 1.8 1.8 volume=1605044.250 peak=67 ppm1=7.368 ppm2=0.761

assign ( resid  17  and name H  )   ( resid  17  and name HG13   ) 3.9 1.9 1.9 volume=913655.375 peak=68 ppm1=7.369 ppm2=0.956

assign ( resid  18  and name H  )   ( resid  19  and name H   ) 3.6 1.8 1.8 volume=1557551.312 peak=69 ppm1=8.339 ppm2=8.608

assign ( resid  18  and name H  )   ( resid  17  and name H   ) 3.4 1.6 1.7 volume=2171639.375 peak=70 ppm1=8.337 ppm2=7.370

assign ( resid  18  and name H  )   ( resid  18  and name HA   ) 3.5 1.7 1.7 volume=1806335.312 peak=71 ppm1=8.337 ppm2=3.571

assign ( resid  18  and name H  )   ( resid  17  and name HB   ) 2.8 1.0 1.4 volume=7270220.562 peak=72 ppm1=8.337 ppm2=1.808

assign ( resid  18  and name H  )   ( resid  17  and name HG2#   ) 3.4 1.7 1.7 volume=2147100.562 peak=73 ppm1=8.337 ppm2=0.763

assign ( resid  19  and name H  )   ( resid  19  and name HB3   ) 2.9 1.1 1.4 volume=5855954.125 peak=74 ppm1=8.612 ppm2=2.839

assign ( resid  19  and name H  )   ( resid  19  and name HA   ) 3.1 1.4 1.5 volume=3684161.875 peak=75 ppm1=8.614 ppm2=4.316

assign ( resid  19  and name H  )   ( resid  18  and name H   ) 3.5 1.7 1.7 volume=1826569.938 peak=76 ppm1=8.613 ppm2=8.340

assign ( resid  19  and name H  )   ( resid  20  and name H   ) 3.4 1.7 1.7 volume=1947452.625 peak=77 ppm1=8.613 ppm2=7.840

assign ( resid  20  and name H  )   ( resid  19  and name H   ) 3.6 1.8 1.8 volume=1519487.938 peak=78 ppm1=7.834 ppm2=8.622

assign ( resid  20  and name H  )   ( resid  21  and name H   ) 3.2 1.5 1.6 volume=2829103.812 peak=79 ppm1=7.837 ppm2=8.159

assign ( resid  20  and name H  )   ( resid  20  and name HA   ) 3.3 1.6 1.6 volume=2495450.250 peak=80 ppm1=7.834 ppm2=4.128

assign ( resid  20  and name H  )   ( resid  17  and name HA   ) 4.1 2.0 1.9 volume=691071.375 peak=81 ppm1=7.839 ppm2=3.755

assign ( resid  20  and name H  )   ( resid  20  and name HB3   ) 3.0 1.2 1.5 volume=4677298.875 peak=82 ppm1=7.838 ppm2=3.278

assign ( resid  20  and name H  )   ( resid  20  and name HB2   ) 3.1 1.4 1.5 volume=3643373.750 peak=83 ppm1=7.837 ppm2=3.023

assign ( resid  20  and name H  )   ( resid  19  and name HB3   ) 3.3 1.6 1.7 volume=2254332.688 peak=84 ppm1=7.838 ppm2=2.835

assign ( resid  21  and name H  )   ( resid  20  and name H   ) 3.3 1.5 1.6 volume=2675357.062 peak=85 ppm1=8.153 ppm2=7.860

assign ( resid  21  and name H  )   ( resid  21  and name HA   ) 3.4 1.7 1.7 volume=1891151.438 peak=86 ppm1=8.151 ppm2=3.274

assign ( resid  21  and name H  )   ( resid  20  and name HB2   ) 3.9 1.9 1.9 volume=963230.938 peak=87 ppm1=8.152 ppm2=3.015

assign ( resid  21  and name H  )   ( resid  21  and name HB   ) 3.1 1.4 1.6 volume=3483496.000 peak=88 ppm1=8.153 ppm2=1.805

assign ( resid  22  and name H  )   ( resid  23  and name H   ) 3.0 1.3 1.5 volume=4018706.625 peak=89 ppm1=7.888 ppm2=8.167

assign ( resid  22  and name H  )   ( resid  22  and name HA   ) 3.6 1.8 1.8 volume=1499459.438 peak=90 ppm1=7.881 ppm2=2.932

assign ( resid  22  and name H  )   ( resid  23  and name HG2   ) 3.6 1.8 1.8 volume=1488180.375 peak=91 ppm1=7.880 ppm2=2.242

assign ( resid  22  and name H  )   ( resid  21  and name HB   ) 2.9 1.1 1.4 volume=5768023.875 peak=92 ppm1=7.888 ppm2=1.803

assign ( resid  23  and name H  )   ( resid  22  and name H   ) 2.9 1.2 1.5 volume=5244825.812 peak=93 ppm1=8.172 ppm2=7.893

assign ( resid  23  and name H  )   ( resid  23  and name HA   ) 3.1 1.4 1.6 volume=3306306.312 peak=94 ppm1=8.170 ppm2=3.884

assign ( resid  23  and name H  )   ( resid  22  and name HA   ) 5.3 2.7 0.7 volume=135828.875 peak=95 ppm1=8.177 ppm2=2.925

assign ( resid  23  and name H  )   ( resid  23  and name HB2   ) 2.9 1.1 1.4 volume=5710661.125 peak=96 ppm1=8.173 ppm2=2.034

assign ( resid  23  and name H  )   ( resid  23  and name HB3   ) 2.9 1.2 1.4 volume=5443677.000 peak=97 ppm1=8.173 ppm2=1.849

assign ( resid  24  and name H  )   ( resid  24  and name HB2   ) 2.8 1.1 1.4 volume=6525600.000 peak=98 ppm1=7.902 ppm2=1.495

assign ( resid  24  and name H  )   ( resid  23  and name HB3   ) 3.3 1.6 1.7 volume=2313200.625 peak=99 ppm1=7.903 ppm2=1.869

assign ( resid  24  and name H  )   ( resid  23  and name HB2   ) 3.6 1.8 1.8 volume=1430849.062 peak=100 ppm1=7.896 ppm2=2.037

assign ( resid  24  and name H  )   ( resid  24  and name HA   ) 3.2 1.5 1.6 volume=3027325.625 peak=101 ppm1=7.900 ppm2=4.037

assign ( resid  24  and name H  )   ( resid  25  and name H   ) 3.1 1.4 1.5 volume=3640940.688 peak=102 ppm1=7.902 ppm2=8.250

assign ( resid  24  and name H  )   ( resid  23  and name H   ) 3.1 1.4 1.6 volume=3536625.312 peak=103 ppm1=7.895 ppm2=8.179

assign ( resid  25  and name H  )   ( resid  24  and name H   ) 3.6 1.8 1.8 volume=1480667.562 peak=104 ppm1=8.273 ppm2=7.897

assign ( resid  25  and name H  )   ( resid  26  and name H   ) 3.6 1.8 1.8 volume=1565484.188 peak=105 ppm1=8.277 ppm2=7.673

assign ( resid  25  and name H  )   ( resid  25  and name HA   ) 3.4 1.7 1.7 volume=2056381.625 peak=106 ppm1=8.274 ppm2=4.093

assign ( resid  25  and name H  )   ( resid  25  and name HB   ) 3.2 1.5 1.6 volume=2861662.500 peak=107 ppm1=8.274 ppm2=2.109

assign ( resid  25  and name H  )   ( resid  24  and name HB2   ) 3.0 1.2 1.5 volume=4806173.688 peak=108 ppm1=8.275 ppm2=1.506

assign ( resid  25  and name H  )   ( resid  25  and name HG2#   ) 3.6 1.8 1.8 volume=1350661.562 peak=109 ppm1=8.271 ppm2=0.995

assign ( resid  26  and name H  )   ( resid  25  and name HB   ) 3.9 1.9 1.9 volume=953218.938 peak=110 ppm1=7.673 ppm2=2.110

assign ( resid  26  and name H  )   ( resid  22  and name HA   ) 4.8 2.4 1.2 volume=258976.625 peak=111 ppm1=7.670 ppm2=2.926

assign ( resid  26  and name H  )   ( resid  26  and name HA2   ) 3.1 1.4 1.5 volume=3621119.688 peak=112 ppm1=7.676 ppm2=3.951

assign ( resid  26  and name H  )   ( resid  26  and name HA3   ) 3.0 1.3 1.5 volume=4333775.250 peak=113 ppm1=7.679 ppm2=4.330

assign ( resid  26  and name H  )   ( resid  27  and name H   ) 3.4 1.7 1.7 volume=1928791.812 peak=114 ppm1=7.675 ppm2=7.073

assign ( resid  26  and name H  )   ( resid  25  and name H   ) 3.2 1.5 1.6 volume=2729509.812 peak=115 ppm1=7.674 ppm2=8.273

assign ( resid  27  and name H  )   ( resid  26  and name H   ) 3.5 1.8 1.8 volume=1725787.125 peak=116 ppm1=7.082 ppm2=7.674

assign ( resid  27  and name H  )   ( resid  28  and name H   ) 3.3 1.6 1.6 volume=2588386.875 peak=117 ppm1=7.081 ppm2=8.103

assign ( resid  27  and name H  )   ( resid  27  and name HA   ) 3.0 1.3 1.5 volume=4144418.125 peak=118 ppm1=7.081 ppm2=4.273

assign ( resid  27  and name H  )   ( resid  26  and name HA2   ) 3.8 1.9 1.9 volume=1017060.312 peak=119 ppm1=7.080 ppm2=3.962

assign ( resid  27  and name H  )   ( resid  28  and name HG   ) 3.5 1.7 1.7 volume=1782684.625 peak=120 ppm1=7.080 ppm2=1.596

assign ( resid  28  and name H  )   ( resid  29  and name H   ) 3.5 1.7 1.7 volume=1800078.125 peak=121 ppm1=8.103 ppm2=7.398

assign ( resid  28  and name H  )   ( resid  27  and name H   ) 3.3 1.6 1.7 volume=2351445.188 peak=122 ppm1=8.103 ppm2=7.083

assign ( resid  29  and name H  )   ( resid  29  and name HB2   ) 2.8 1.1 1.4 volume=6047819.250 peak=123 ppm1=7.397 ppm2=1.999

assign ( resid  29  and name H  )   ( resid  29  and name HA   ) 3.4 1.6 1.7 volume=2235756.250 peak=124 ppm1=7.396 ppm2=3.218

assign ( resid  29  and name H  )   ( resid  28  and name HA   ) 3.8 1.9 1.9 volume=1046237.438 peak=125 ppm1=7.394 ppm2=4.234

assign ( resid  29  and name H  )   ( resid  28  and name H   ) 3.3 1.6 1.7 volume=2275969.562 peak=126 ppm1=7.397 ppm2=8.106

assign ( resid  29  and name H  )   ( resid  30  and name H   ) 3.5 1.8 1.8 volume=1638669.625 peak=127 ppm1=7.397 ppm2=7.240

assign ( resid  30  and name H  )   ( resid  31  and name H   ) 3.3 1.6 1.7 volume=2434251.688 peak=128 ppm1=7.234 ppm2=7.730

assign ( resid  30  and name H  )   ( resid  29  and name H   ) 3.2 1.5 1.6 volume=2824282.250 peak=129 ppm1=7.232 ppm2=7.389

assign ( resid  30  and name H  )   ( resid  30  and name HA   ) 3.2 1.5 1.6 volume=2992690.438 peak=130 ppm1=7.230 ppm2=4.070

assign ( resid  30  and name H  )   ( resid  29  and name HB2   ) 3.7 1.9 1.9 volume=1147902.062 peak=131 ppm1=7.233 ppm2=1.986

assign ( resid  30  and name H  )   ( resid  30  and name HB2   ) 3.4 1.7 1.7 volume=2078165.062 peak=132 ppm1=7.233 ppm2=1.684

assign ( resid  30  and name H  )   ( resid  30  and name HG3   ) 3.2 1.4 1.6 volume=3184927.500 peak=133 ppm1=7.233 ppm2=1.535

assign ( resid  31  and name H  )   ( resid  31  and name HB3   ) 3.1 1.4 1.6 volume=3370124.875 peak=134 ppm1=7.734 ppm2=2.635

assign ( resid  31  and name H  )   ( resid  31  and name HB2   ) 3.4 1.7 1.7 volume=2026106.625 peak=135 ppm1=7.731 ppm2=3.087

assign ( resid  31  and name H  )   ( resid  31  and name HA   ) 3.3 1.6 1.7 volume=2347306.750 peak=136 ppm1=7.736 ppm2=4.516

assign ( resid  31  and name H  )   ( resid  30  and name H   ) 3.0 1.3 1.5 volume=4074207.438 peak=137 ppm1=7.732 ppm2=7.198

assign ( resid  32  and name H  )   ( resid  32  and name HD#   ) 3.9 2.0 2.0 volume=882557.062 peak=138 ppm1=7.669 ppm2=7.192

assign ( resid  32  and name H  )   ( resid  32  and name HA   ) 3.8 1.9 1.9 volume=1046281.375 peak=139 ppm1=7.680 ppm2=5.028

assign ( resid  32  and name H  )   ( resid  31  and name HA   ) 4.0 2.0 2.0 volume=822827.625 peak=140 ppm1=7.681 ppm2=4.514

assign ( resid  32  and name H  )   ( resid  32  and name HB2   ) 3.3 1.6 1.7 volume=2363269.188 peak=141 ppm1=7.675 ppm2=3.256

assign ( resid  32  and name H  )   ( resid  32  and name HB3   ) 3.1 1.4 1.6 volume=3381451.125 peak=142 ppm1=7.675 ppm2=3.138

assign ( resid  32  and name H  )   ( resid  31  and name HB3   ) 6.0 3.0 0.0 volume=27003.438 peak=143 ppm1=7.675 ppm2=2.638

assign ( resid  34  and name H  )   ( resid  34  and name HB3   ) 4.4 2.2 1.6 volume=430897.188 peak=144 ppm1=8.744 ppm2=2.700

assign ( resid  34  and name H  )   ( resid  34  and name HB2   ) 4.1 2.1 1.9 volume=664106.062 peak=145 ppm1=8.745 ppm2=2.786

assign ( resid  34  and name H  )   ( resid  34  and name HA   ) 2.9 1.2 1.5 volume=5027649.062 peak=146 ppm1=8.751 ppm2=4.591

assign ( resid  34  and name H  )   ( resid  35  and name H   ) 4.3 2.2 1.7 volume=482139.875 peak=147 ppm1=8.746 ppm2=7.748

assign ( resid  35  and name H  )   ( resid  35  and name HA   ) 3.3 1.6 1.6 volume=2508314.750 peak=148 ppm1=7.746 ppm2=4.473

assign ( resid  35  and name H  )   ( resid  34  and name HA   ) 3.0 1.3 1.5 volume=4068163.125 peak=149 ppm1=7.742 ppm2=4.614

assign ( resid  35  and name H  )   ( resid  35  and name HB   ) 3.0 1.3 1.5 volume=3986420.062 peak=150 ppm1=7.746 ppm2=2.243

assign ( resid  35  and name H  )   ( resid  35  and name HG1#   ) 3.1 1.3 1.5 volume=3853666.062 peak=151 ppm1=7.743 ppm2=0.948

assign ( resid  37  and name H  )   ( resid  37  and name HA   ) 3.3 1.6 1.7 volume=2332326.188 peak=152 ppm1=8.114 ppm2=4.888

assign ( resid  37  and name H  )   ( resid  36  and name HA   ) 3.3 1.6 1.7 volume=2389164.125 peak=153 ppm1=8.117 ppm2=4.436

assign ( resid  37  and name H  )   ( resid  37  and name HB3   ) 3.8 1.9 1.9 volume=1017891.188 peak=154 ppm1=8.116 ppm2=2.717

assign ( resid  37  and name H  )   ( resid  36  and name HG2   ) 3.9 1.9 1.9 volume=912960.562 peak=155 ppm1=8.113 ppm2=1.919

assign ( resid  38  and name H  )   ( resid  38  and name HB#   ) 2.9 1.2 1.5 volume=5030743.062 peak=156 ppm1=8.130 ppm2=1.151

assign ( resid  38  and name H  )   ( resid  38  and name HA   ) 3.2 1.5 1.6 volume=2918606.625 peak=157 ppm1=8.128 ppm2=4.287

assign ( resid  38  and name H  )   ( resid  37  and name HA   ) 3.1 1.4 1.6 volume=3524664.625 peak=158 ppm1=8.130 ppm2=4.888

assign ( resid  39  and name H  )   ( resid  39  and name HA   ) 3.7 1.8 1.8 volume=1282180.875 peak=159 ppm1=8.233 ppm2=4.497

assign ( resid  39  and name H  )   ( resid  38  and name HA   ) 2.6 0.9 1.3 volume=10745823.938 peak=160 ppm1=8.229 ppm2=4.271

assign ( resid  39  and name H  )   ( resid  39  and name HB   ) 3.2 1.5 1.6 volume=2842590.500 peak=161 ppm1=8.228 ppm2=1.756

assign ( resid  39  and name H  )   ( resid  38  and name HB#   ) 3.4 1.6 1.7 volume=2193972.750 peak=162 ppm1=8.231 ppm2=1.145

assign ( resid  39  and name H  )   ( resid  39  and name HG2#   ) 3.5 1.8 1.8 volume=1594136.750 peak=163 ppm1=8.231 ppm2=0.737

assign ( resid  40  and name H  )   ( resid  39  and name HG1#   ) 3.5 1.7 1.7 volume=1782172.438 peak=164 ppm1=8.395 ppm2=0.393

assign ( resid  40  and name H  )   ( resid  40  and name HB#   ) 3.0 1.3 1.5 volume=3963667.062 peak=165 ppm1=8.396 ppm2=0.690

assign ( resid  40  and name H  )   ( resid  39  and name HB   ) 4.6 2.3 1.4 volume=317986.000 peak=166 ppm1=8.403 ppm2=1.744

assign ( resid  40  and name H  )   ( resid  39  and name HA   ) 2.7 1.0 1.4 volume=8146117.750 peak=167 ppm1=8.395 ppm2=4.497

assign ( resid  40  and name H  )   ( resid  40  and name HA   ) 3.7 1.8 1.8 volume=1258045.375 peak=168 ppm1=8.399 ppm2=4.825

assign ( resid  41  and name H  )   ( resid  41  and name HA   ) 3.4 1.7 1.7 volume=2106610.000 peak=169 ppm1=9.078 ppm2=5.081

assign ( resid  41  and name H  )   ( resid  40  and name HA   ) 2.7 1.0 1.4 volume=7432928.000 peak=170 ppm1=9.080 ppm2=4.814

assign ( resid  41  and name H  )   ( resid  41  and name HB3   ) 3.6 1.8 1.8 volume=1366288.438 peak=171 ppm1=9.081 ppm2=3.067

assign ( resid  41  and name H  )   ( resid  41  and name HB2   ) 3.4 1.6 1.7 volume=2214400.500 peak=172 ppm1=9.081 ppm2=3.286

assign ( resid  41  and name H  )   ( resid  42  and name HG2#   ) 3.9 1.9 1.9 volume=920313.000 peak=173 ppm1=9.087 ppm2=0.842

assign ( resid  41  and name H  )   ( resid  40  and name HB#   ) 3.6 1.8 1.8 volume=1555268.625 peak=174 ppm1=9.083 ppm2=0.686

assign ( resid  42  and name H  )   ( resid  42  and name HG1#   ) 3.6 1.8 1.8 volume=1539494.250 peak=175 ppm1=9.316 ppm2=1.018

assign ( resid  42  and name H  )   ( resid  42  and name HG2#   ) 3.9 2.0 2.0 volume=896029.000 peak=176 ppm1=9.320 ppm2=0.857

assign ( resid  42  and name H  )   ( resid  42  and name HB   ) 3.6 1.8 1.8 volume=1498327.188 peak=177 ppm1=9.314 ppm2=2.248

assign ( resid  42  and name H  )   ( resid  41  and name HB3   ) 4.7 2.4 1.3 volume=293766.875 peak=178 ppm1=9.311 ppm2=3.071

assign ( resid  42  and name H  )   ( resid  41  and name HA   ) 2.8 1.1 1.4 volume=6611733.875 peak=179 ppm1=9.319 ppm2=5.093

assign ( resid  43  and name H  )   ( resid  55  and name H   ) 3.8 1.9 1.9 volume=1104753.312 peak=180 ppm1=9.376 ppm2=9.047

assign ( resid  43  and name H  )   ( resid  43  and name HA   ) 3.4 1.6 1.7 volume=2167926.812 peak=181 ppm1=9.377 ppm2=5.338

assign ( resid  43  and name H  )   ( resid  42  and name HA   ) 2.8 1.0 1.4 volume=7207584.375 peak=182 ppm1=9.377 ppm2=5.126

assign ( resid  43  and name H  )   ( resid  43  and name HB2   ) 3.7 1.8 1.8 volume=1303806.875 peak=183 ppm1=9.377 ppm2=1.906

assign ( resid  43  and name H  )   ( resid  43  and name HB3   ) 3.7 1.8 1.8 volume=1295728.438 peak=184 ppm1=9.373 ppm2=1.763

assign ( resid  43  and name H  )   ( resid  42  and name HG1#   ) 3.9 2.0 2.0 volume=878163.000 peak=185 ppm1=9.379 ppm2=1.025

assign ( resid  43  and name H  )   ( resid  42  and name HG2#   ) 3.3 1.6 1.7 volume=2395115.062 peak=186 ppm1=9.376 ppm2=0.856

assign ( resid  44  and name H  )   ( resid  44  and name HG1#   ) 3.3 1.6 1.7 volume=2346196.062 peak=187 ppm1=8.500 ppm2=0.776

assign ( resid  44  and name H  )   ( resid  44  and name HB   ) 3.2 1.5 1.6 volume=2695737.438 peak=188 ppm1=8.500 ppm2=1.888

assign ( resid  44  and name H  )   ( resid  44  and name HA   ) 4.0 2.0 2.0 volume=799002.812 peak=189 ppm1=8.497 ppm2=5.023

assign ( resid  44  and name H  )   ( resid  43  and name HA   ) 2.8 1.0 1.4 volume=7308748.062 peak=190 ppm1=8.494 ppm2=5.349

assign ( resid  44  and name H  )   ( resid  45  and name H   ) 5.5 2.8 0.5 volume=113680.188 peak=191 ppm1=8.494 ppm2=9.136

assign ( resid  45  and name H  )   ( resid  44  and name HA   ) 2.6 0.9 1.3 volume=9261897.312 peak=192 ppm1=9.140 ppm2=5.018

assign ( resid  45  and name H  )   ( resid  45  and name HB2   ) 3.3 1.6 1.7 volume=2435056.688 peak=193 ppm1=9.143 ppm2=1.649

assign ( resid  45  and name H  )   ( resid  45  and name HB3   ) 3.2 1.5 1.6 volume=2713883.750 peak=194 ppm1=9.143 ppm2=1.714

assign ( resid  45  and name H  )   ( resid  45  and name HG3   ) 4.0 2.0 2.0 volume=817063.812 peak=195 ppm1=9.142 ppm2=1.059

assign ( resid  45  and name H  )   ( resid  44  and name HG1#   ) 3.2 1.4 1.6 volume=3183170.250 peak=196 ppm1=9.141 ppm2=0.795

assign ( resid  46  and name H  )   ( resid  45  and name HA   ) 2.9 1.2 1.5 volume=4968712.875 peak=197 ppm1=8.272 ppm2=4.925

assign ( resid  50  and name H  )   ( resid  50  and name HA   ) 3.7 1.9 1.9 volume=1227622.875 peak=198 ppm1=7.653 ppm2=4.434

assign ( resid  51  and name H  )   ( resid  51  and name HB#   ) 2.9 1.2 1.5 volume=4939916.750 peak=199 ppm1=7.873 ppm2=1.233

assign ( resid  51  and name H  )   ( resid  50  and name HB3   ) 3.8 1.9 1.9 volume=1024631.062 peak=200 ppm1=7.876 ppm2=3.758

assign ( resid  51  and name H  )   ( resid  50  and name HA   ) 3.1 1.4 1.6 volume=3369374.562 peak=201 ppm1=7.875 ppm2=4.428

assign ( resid  51  and name H  )   ( resid  51  and name HA   ) 3.3 1.5 1.6 volume=2691057.938 peak=202 ppm1=7.877 ppm2=4.562

assign ( resid  52  and name H  )   ( resid  71  and name H   ) 4.3 2.2 1.7 volume=497662.312 peak=203 ppm1=8.052 ppm2=9.064

assign ( resid  52  and name H  )   ( resid  51  and name HA   ) 2.6 0.8 1.3 volume=11146019.625 peak=204 ppm1=8.057 ppm2=4.555

assign ( resid  52  and name H  )   ( resid  52  and name HA   ) 2.9 1.1 1.4 volume=5788928.312 peak=205 ppm1=8.060 ppm2=4.703

assign ( resid  52  and name H  )   ( resid  52  and name HB   ) 3.1 1.3 1.5 volume=3933578.375 peak=206 ppm1=8.055 ppm2=4.095

assign ( resid  52  and name H  )   ( resid  51  and name HB#   ) 3.1 1.4 1.6 volume=3545026.938 peak=207 ppm1=8.057 ppm2=1.235

assign ( resid  52  and name H  )   ( resid  52  and name HG1   ) 4.2 2.1 1.8 volume=563972.188 peak=208 ppm1=8.057 ppm2=1.061

assign ( resid  53  and name H  )   ( resid  53  and name HB2   ) 3.6 1.8 1.8 volume=1364277.062 peak=209 ppm1=9.183 ppm2=1.783

assign ( resid  53  and name H  )   ( resid  53  and name HB3   ) 3.5 1.7 1.7 volume=1729057.750 peak=210 ppm1=9.180 ppm2=2.035

assign ( resid  53  and name H  )   ( resid  52  and name HA   ) 2.8 1.1 1.4 volume=5965984.500 peak=211 ppm1=9.179 ppm2=4.691

assign ( resid  53  and name H  )   ( resid  53  and name HA   ) 4.1 2.0 1.9 volume=713918.312 peak=212 ppm1=9.179 ppm2=5.169

assign ( resid  54  and name H  )   ( resid  53  and name HA   ) 2.8 1.0 1.4 volume=7099357.500 peak=213 ppm1=9.000 ppm2=5.173

assign ( resid  54  and name H  )   ( resid  54  and name HA   ) 3.1 1.4 1.5 volume=3748007.812 peak=214 ppm1=9.004 ppm2=5.068

assign ( resid  54  and name H  )   ( resid  54  and name HB   ) 3.3 1.5 1.6 volume=2631440.000 peak=215 ppm1=9.005 ppm2=1.583

assign ( resid  54  and name H  )   ( resid  54  and name HG2#   ) 3.3 1.5 1.6 volume=2650705.375 peak=216 ppm1=9.004 ppm2=0.792

assign ( resid  55  and name H  )   ( resid  54  and name HG2#   ) 3.1 1.4 1.6 volume=3317938.000 peak=217 ppm1=9.041 ppm2=0.784

assign ( resid  55  and name H  )   ( resid  54  and name HB   ) 3.6 1.8 1.8 volume=1568025.062 peak=218 ppm1=9.049 ppm2=1.610

assign ( resid  55  and name H  )   ( resid  55  and name HB2   ) 3.6 1.8 1.8 volume=1366870.125 peak=219 ppm1=9.040 ppm2=1.938

assign ( resid  55  and name H  )   ( resid  55  and name HB3   ) 3.7 1.8 1.8 volume=1323748.625 peak=220 ppm1=9.044 ppm2=2.129

assign ( resid  55  and name H  )   ( resid  54  and name HA   ) 2.7 0.9 1.3 volume=8868553.750 peak=221 ppm1=9.042 ppm2=5.067

assign ( resid  55  and name H  )   ( resid  55  and name HA   ) 3.6 1.8 1.8 volume=1478678.938 peak=222 ppm1=9.044 ppm2=5.218

assign ( resid  56  and name H  )   ( resid  68  and name HA   ) 3.9 2.0 2.0 volume=839537.188 peak=223 ppm1=8.995 ppm2=5.583

assign ( resid  56  and name H  )   ( resid  55  and name HA   ) 2.7 0.9 1.3 volume=9084985.250 peak=224 ppm1=8.993 ppm2=5.252

assign ( resid  56  and name H  )   ( resid  55  and name HB3   ) 3.6 1.8 1.8 volume=1385353.062 peak=225 ppm1=8.997 ppm2=2.149

assign ( resid  56  and name H  )   ( resid  56  and name HB   ) 3.3 1.5 1.6 volume=2676599.062 peak=226 ppm1=8.991 ppm2=1.874

assign ( resid  56  and name H  )   ( resid  56  and name HG1#   ) 3.7 1.9 1.9 volume=1194779.000 peak=227 ppm1=8.991 ppm2=1.023

assign ( resid  56  and name H  )   ( resid  56  and name HG2#   ) 3.9 2.0 2.0 volume=835733.812 peak=228 ppm1=9.001 ppm2=0.889

assign ( resid  57  and name H  )   ( resid  56  and name HG2#   ) 3.3 1.6 1.7 volume=2377955.812 peak=229 ppm1=8.859 ppm2=0.867

assign ( resid  57  and name H  )   ( resid  56  and name HG1#   ) 4.0 2.0 2.0 volume=760832.000 peak=230 ppm1=8.855 ppm2=1.036

assign ( resid  57  and name H  )   ( resid  57  and name HB   ) 4.1 2.0 1.9 volume=699035.062 peak=231 ppm1=8.858 ppm2=3.974

assign ( resid  57  and name H  )   ( resid  56  and name HA   ) 2.7 1.0 1.4 volume=8053744.875 peak=232 ppm1=8.858 ppm2=5.330

assign ( resid  57  and name H  )   ( resid  41  and name H   ) 3.8 1.9 1.9 volume=1111865.562 peak=233 ppm1=8.855 ppm2=9.051

assign ( resid  58  and name H  )   ( resid  65  and name H   ) 4.2 2.1 1.8 volume=571797.688 peak=234 ppm1=9.264 ppm2=8.276

assign ( resid  58  and name H  )   ( resid  66  and name HA   ) 4.4 2.2 1.6 volume=466923.438 peak=235 ppm1=9.256 ppm2=5.493

assign ( resid  58  and name H  )   ( resid  57  and name HA   ) 2.8 1.0 1.4 volume=7094248.500 peak=236 ppm1=9.261 ppm2=5.272

assign ( resid  58  and name H  )   ( resid  58  and name HA   ) 4.2 2.1 1.8 volume=539834.688 peak=237 ppm1=9.259 ppm2=5.045

assign ( resid  58  and name H  )   ( resid  58  and name HB   ) 3.5 1.7 1.7 volume=1819898.062 peak=238 ppm1=9.262 ppm2=1.902

assign ( resid  58  and name H  )   ( resid  65  and name HB2   ) 3.7 1.8 1.8 volume=1326164.312 peak=239 ppm1=9.262 ppm2=1.420

assign ( resid  58  and name H  )   ( resid  57  and name HG1   ) 3.8 1.9 1.9 volume=1019160.500 peak=240 ppm1=9.264 ppm2=1.133

assign ( resid  58  and name H  )   ( resid  56  and name HG2#   ) 3.6 1.8 1.8 volume=1424377.562 peak=241 ppm1=9.264 ppm2=0.894

assign ( resid  60  and name H  )   ( resid  63  and name HG1#   ) 4.1 2.1 1.9 volume=632118.125 peak=242 ppm1=8.483 ppm2=0.402

assign ( resid  60  and name H  )   ( resid  64  and name HG2#   ) 4.3 2.2 1.7 volume=472352.375 peak=243 ppm1=8.493 ppm2=0.939

assign ( resid  60  and name H  )   ( resid  60  and name HB2   ) 3.4 1.7 1.7 volume=1903852.500 peak=244 ppm1=8.490 ppm2=1.801

assign ( resid  60  and name H  )   ( resid  59  and name HA   ) 2.6 0.9 1.3 volume=10342408.562 peak=245 ppm1=8.491 ppm2=4.709

assign ( resid  61  and name H  )   ( resid  61  and name HA   ) 3.9 1.9 1.9 volume=965218.438 peak=246 ppm1=8.131 ppm2=3.999

assign ( resid  61  and name H  )   ( resid  61  and name HB3   ) 2.9 1.2 1.4 volume=5574746.062 peak=247 ppm1=8.127 ppm2=1.835

assign ( resid  63  and name H  )   ( resid  60  and name H   ) 4.5 2.3 1.5 volume=363200.062 peak=248 ppm1=7.162 ppm2=8.493

assign ( resid  63  and name H  )   ( resid  63  and name HA   ) 3.4 1.7 1.7 volume=1960068.688 peak=249 ppm1=7.165 ppm2=4.301

assign ( resid  63  and name H  )   ( resid  63  and name HB   ) 3.2 1.5 1.6 volume=2719419.250 peak=250 ppm1=7.165 ppm2=1.813

assign ( resid  63  and name H  )   ( resid  63  and name HG2#   ) 4.1 2.1 1.9 volume=651795.188 peak=251 ppm1=7.166 ppm2=0.646

assign ( resid  63  and name H  )   ( resid  63  and name HG1#   ) 3.3 1.6 1.7 volume=2256347.938 peak=252 ppm1=7.167 ppm2=0.406

assign ( resid  64  and name H  )   ( resid  63  and name HA   ) 2.8 1.1 1.4 volume=6443209.562 peak=253 ppm1=8.393 ppm2=4.299

assign ( resid  64  and name H  )   ( resid  64  and name HB   ) 3.3 1.5 1.6 volume=2642608.312 peak=254 ppm1=8.393 ppm2=3.892

assign ( resid  64  and name H  )   ( resid  64  and name HA   ) 2.8 1.0 1.4 volume=7241398.875 peak=255 ppm1=8.393 ppm2=4.698

assign ( resid  64  and name H  )   ( resid  63  and name HB   ) 3.9 1.9 1.9 volume=909841.812 peak=256 ppm1=8.390 ppm2=1.835

assign ( resid  64  and name H  )   ( resid  63  and name HG2#   ) 3.4 1.7 1.7 volume=1926402.812 peak=257 ppm1=8.392 ppm2=0.642

assign ( resid  65  and name H  )   ( resid  58  and name H   ) 4.3 2.1 1.7 volume=522354.438 peak=258 ppm1=8.275 ppm2=9.264

assign ( resid  65  and name H  )   ( resid  64  and name HA   ) 2.8 1.1 1.4 volume=6625057.500 peak=259 ppm1=8.276 ppm2=4.690

assign ( resid  65  and name H  )   ( resid  65  and name HB2   ) 3.8 1.9 1.9 volume=1061957.062 peak=260 ppm1=8.277 ppm2=1.387

assign ( resid  65  and name H  )   ( resid  65  and name HB3   ) 3.0 1.3 1.5 volume=4162597.562 peak=261 ppm1=8.275 ppm2=1.752

assign ( resid  65  and name H  )   ( resid  64  and name HG2#   ) 3.4 1.7 1.7 volume=2061577.312 peak=262 ppm1=8.277 ppm2=0.922

assign ( resid  66  and name H  )   ( resid  66  and name HA   ) 3.6 1.8 1.8 volume=1361435.062 peak=263 ppm1=8.656 ppm2=5.493

assign ( resid  66  and name H  )   ( resid  65  and name HA   ) 2.6 0.9 1.3 volume=9804630.562 peak=264 ppm1=8.655 ppm2=4.580

assign ( resid  66  and name H  )   ( resid  66  and name HB3   ) 3.2 1.5 1.6 volume=2825282.250 peak=265 ppm1=8.659 ppm2=1.709

assign ( resid  66  and name H  )   ( resid  65  and name HB2   ) 3.6 1.8 1.8 volume=1371935.000 peak=266 ppm1=8.653 ppm2=1.379

assign ( resid  67  and name H  )   ( resid  66  and name HA   ) 2.6 0.9 1.3 volume=10034149.562 peak=267 ppm1=8.859 ppm2=5.494

assign ( resid  67  and name H  )   ( resid  57  and name HA   ) 3.7 1.8 1.8 volume=1238814.500 peak=268 ppm1=8.860 ppm2=5.269

assign ( resid  67  and name H  )   ( resid  67  and name HA   ) 3.7 1.8 1.8 volume=1324811.312 peak=269 ppm1=8.858 ppm2=4.792

assign ( resid  67  and name H  )   ( resid  56  and name HB   ) 4.1 2.1 1.9 volume=633896.250 peak=270 ppm1=8.858 ppm2=1.869

assign ( resid  67  and name H  )   ( resid  66  and name HB3   ) 3.6 1.8 1.8 volume=1493315.938 peak=271 ppm1=8.862 ppm2=1.693

assign ( resid  67  and name H  )   ( resid  67  and name HB#   ) 3.3 1.6 1.7 volume=2357846.250 peak=272 ppm1=8.862 ppm2=1.377

assign ( resid  68  and name H  )   ( resid  68  and name HA   ) 4.4 2.2 1.6 volume=458923.688 peak=273 ppm1=8.568 ppm2=5.585

assign ( resid  68  and name H  )   ( resid  67  and name HA   ) 2.6 0.9 1.3 volume=10055887.562 peak=274 ppm1=8.567 ppm2=4.785

assign ( resid  68  and name H  )   ( resid  67  and name HB#   ) 3.3 1.6 1.7 volume=2294081.312 peak=275 ppm1=8.565 ppm2=1.376

assign ( resid  68  and name H  )   ( resid  68  and name HG2   ) 2.9 1.2 1.5 volume=5079057.000 peak=276 ppm1=8.567 ppm2=1.973

assign ( resid  68  and name H  )   ( resid  68  and name HG3   ) 2.9 1.2 1.5 volume=5209407.500 peak=277 ppm1=8.567 ppm2=2.078

assign ( resid  69  and name H  )   ( resid  68  and name HA   ) 2.7 1.0 1.3 volume=8452952.188 peak=278 ppm1=8.901 ppm2=5.585

assign ( resid  69  and name H  )   ( resid  55  and name HA   ) 4.0 2.0 2.0 volume=787550.250 peak=279 ppm1=8.894 ppm2=5.220

assign ( resid  69  and name H  )   ( resid  69  and name HA   ) 3.7 1.8 1.8 volume=1254608.188 peak=280 ppm1=8.902 ppm2=4.607

assign ( resid  69  and name H  )   ( resid  69  and name HB3   ) 3.3 1.6 1.6 volume=2462839.688 peak=281 ppm1=8.900 ppm2=1.845

assign ( resid  69  and name H  )   ( resid  68  and name HB3   ) 3.2 1.5 1.6 volume=2746729.000 peak=282 ppm1=8.899 ppm2=1.964

assign ( resid  70  and name H  )   ( resid  70  and name HA   ) 3.8 1.9 1.9 volume=1122556.438 peak=283 ppm1=8.553 ppm2=5.455

assign ( resid  70  and name H  )   ( resid  69  and name HA   ) 2.6 0.9 1.3 volume=10679127.625 peak=284 ppm1=8.549 ppm2=4.605

assign ( resid  70  and name H  )   ( resid  69  and name HB3   ) 3.5 1.7 1.7 volume=1740652.625 peak=285 ppm1=8.548 ppm2=1.851

assign ( resid  70  and name H  )   ( resid  70  and name HB2   ) 3.0 1.3 1.5 volume=3951422.312 peak=286 ppm1=8.549 ppm2=1.646

assign ( resid  71  and name H  )   ( resid  70  and name HA   ) 2.7 0.9 1.3 volume=8984209.438 peak=287 ppm1=9.058 ppm2=5.459

assign ( resid  71  and name H  )   ( resid  71  and name HA   ) 3.5 1.7 1.7 volume=1745369.125 peak=288 ppm1=9.061 ppm2=4.614

assign ( resid  71  and name H  )   ( resid  71  and name HB2   ) 3.6 1.8 1.8 volume=1493027.500 peak=289 ppm1=9.056 ppm2=2.546

assign ( resid  72  and name H  )   ( resid  73  and name H   ) 3.5 1.8 1.8 volume=1701808.188 peak=290 ppm1=8.726 ppm2=9.132

assign ( resid  72  and name H  )   ( resid  72  and name HB2   ) 3.8 1.9 1.9 volume=1045374.062 peak=291 ppm1=8.727 ppm2=2.749

assign ( resid  72  and name H  )   ( resid  72  and name HB3   ) 3.2 1.5 1.6 volume=2962646.188 peak=292 ppm1=8.728 ppm2=2.517

assign ( resid  73  and name H  )   ( resid  72  and name H   ) 3.8 1.9 1.9 volume=1017008.688 peak=293 ppm1=9.138 ppm2=8.730

assign ( resid  73  and name H  )   ( resid  72  and name HA   ) 3.8 1.9 1.9 volume=1118672.062 peak=294 ppm1=9.138 ppm2=4.639

assign ( resid  73  and name H  )   ( resid  73  and name HA   ) 3.5 1.8 1.8 volume=1655493.125 peak=295 ppm1=9.140 ppm2=4.798

assign ( resid  73  and name H  )   ( resid  73  and name HB3   ) 3.1 1.4 1.5 volume=3590417.688 peak=296 ppm1=9.135 ppm2=2.914

assign ( resid  73  and name H  )   ( resid  73  and name HB2   ) 2.9 1.2 1.4 volume=5582600.500 peak=297 ppm1=9.136 ppm2=2.500

assign ( resid  73  and name H  )   ( resid  76  and name HB#   ) 4.1 2.1 1.9 volume=653230.438 peak=298 ppm1=9.134 ppm2=1.438

assign ( resid  74  and name H  )   ( resid  75  and name H   ) 3.6 1.8 1.8 volume=1581062.188 peak=299 ppm1=8.509 ppm2=7.467

assign ( resid  74  and name H  )   ( resid  73  and name HA   ) 2.6 0.9 1.3 volume=9376779.375 peak=300 ppm1=8.507 ppm2=4.793

assign ( resid  74  and name H  )   ( resid  74  and name HA   ) 3.4 1.7 1.7 volume=1979675.688 peak=301 ppm1=8.506 ppm2=3.827

assign ( resid  74  and name H  )   ( resid  74  and name HB3   ) 2.9 1.2 1.4 volume=5484354.500 peak=302 ppm1=8.508 ppm2=1.479

assign ( resid  74  and name H  )   ( resid  74  and name HB2   ) 3.5 1.7 1.7 volume=1857202.750 peak=303 ppm1=8.502 ppm2=1.209

assign ( resid  74  and name H  )   ( resid  74  and name HD2#   ) 4.0 2.0 2.0 volume=774381.000 peak=304 ppm1=8.514 ppm2=0.746

assign ( resid  75  and name H  )   ( resid  77  and name H   ) 3.4 1.6 1.7 volume=2224026.562 peak=305 ppm1=7.471 ppm2=8.502

assign ( resid  75  and name H  )   ( resid  76  and name H   ) 2.8 1.1 1.4 volume=6040938.750 peak=306 ppm1=7.470 ppm2=7.589

assign ( resid  75  and name H  )   ( resid  75  and name HA   ) 3.3 1.6 1.6 volume=2558089.250 peak=307 ppm1=7.469 ppm2=3.746

assign ( resid  75  and name H  )   ( resid  75  and name HB2   ) 3.1 1.3 1.5 volume=3918957.938 peak=308 ppm1=7.470 ppm2=2.911

assign ( resid  75  and name H  )   ( resid  75  and name HB3   ) 3.5 1.7 1.7 volume=1786778.938 peak=309 ppm1=7.466 ppm2=2.573

assign ( resid  75  and name H  )   ( resid  74  and name HB3   ) 3.5 1.8 1.8 volume=1674036.750 peak=310 ppm1=7.471 ppm2=1.468

assign ( resid  75  and name H  )   ( resid  74  and name HB2   ) 4.0 2.0 2.0 volume=819359.125 peak=311 ppm1=7.472 ppm2=1.209

assign ( resid  76  and name H  )   ( resid  77  and name H   ) 3.3 1.6 1.6 volume=2470129.688 peak=312 ppm1=7.605 ppm2=8.497

assign ( resid  76  and name H  )   ( resid  75  and name H   ) 3.0 1.3 1.5 volume=4549380.938 peak=313 ppm1=7.602 ppm2=7.465

assign ( resid  76  and name H  )   ( resid  76  and name HA   ) 3.3 1.6 1.7 volume=2349801.250 peak=314 ppm1=7.600 ppm2=4.146

assign ( resid  76  and name H  )   ( resid  75  and name HA   ) 4.4 2.2 1.6 volume=450508.500 peak=315 ppm1=7.603 ppm2=3.725

assign ( resid  76  and name H  )   ( resid  73  and name HB3   ) 3.2 1.5 1.6 volume=2845775.875 peak=316 ppm1=7.606 ppm2=2.912

assign ( resid  76  and name H  )   ( resid  75  and name HB3   ) 3.8 1.9 1.9 volume=1116488.188 peak=317 ppm1=7.608 ppm2=2.569

assign ( resid  76  and name H  )   ( resid  76  and name HB#   ) 2.9 1.2 1.4 volume=5524531.875 peak=318 ppm1=7.605 ppm2=1.435

assign ( resid  77  and name H  )   ( resid  76  and name HA   ) 4.8 2.4 1.2 volume=262465.188 peak=319 ppm1=8.498 ppm2=4.145

assign ( resid  77  and name H  )   ( resid  74  and name HA   ) 4.0 2.0 2.0 volume=825253.375 peak=320 ppm1=8.498 ppm2=3.812

assign ( resid  77  and name H  )   ( resid  71  and name HB2   ) 4.0 2.0 2.0 volume=763765.500 peak=321 ppm1=8.505 ppm2=2.552

assign ( resid  78  and name H  )   ( resid  78  and name HB   ) 2.9 1.2 1.4 volume=5438726.062 peak=322 ppm1=8.411 ppm2=2.328

assign ( resid  78  and name H  )   ( resid  78  and name HA   ) 2.9 1.2 1.4 volume=5618884.438 peak=323 ppm1=8.409 ppm2=3.674

assign ( resid  79  and name H  )   ( resid  80  and name H   ) 3.4 1.6 1.7 volume=2209859.500 peak=324 ppm1=8.434 ppm2=8.121

assign ( resid  79  and name H  )   ( resid  79  and name HA   ) 3.2 1.4 1.6 volume=3187233.000 peak=325 ppm1=8.437 ppm2=4.330

assign ( resid  79  and name H  )   ( resid  76  and name HA   ) 3.8 1.9 1.9 volume=1115482.438 peak=326 ppm1=8.437 ppm2=4.147

assign ( resid  79  and name H  )   ( resid  79  and name HB2   ) 3.0 1.3 1.5 volume=4460607.625 peak=327 ppm1=8.436 ppm2=2.963

assign ( resid  79  and name H  )   ( resid  79  and name HB3   ) 3.3 1.6 1.7 volume=2325326.625 peak=328 ppm1=8.435 ppm2=2.721

assign ( resid  80  and name H  )   ( resid  81  and name H   ) 3.4 1.7 1.7 volume=2148692.875 peak=329 ppm1=8.121 ppm2=8.610

assign ( resid  80  and name H  )   ( resid  79  and name H   ) 3.4 1.6 1.7 volume=2202623.375 peak=330 ppm1=8.123 ppm2=8.441

assign ( resid  80  and name H  )   ( resid  80  and name HA   ) 3.2 1.5 1.6 volume=2756885.750 peak=331 ppm1=8.120 ppm2=4.174

assign ( resid  80  and name H  )   ( resid  79  and name HB2   ) 3.5 1.8 1.8 volume=1719771.312 peak=332 ppm1=8.120 ppm2=2.968

assign ( resid  80  and name H  )   ( resid  79  and name HB3   ) 4.1 2.0 1.9 volume=677598.625 peak=333 ppm1=8.117 ppm2=2.721

assign ( resid  80  and name H  )   ( resid  80  and name HB2   ) 3.3 1.5 1.6 volume=2647450.000 peak=334 ppm1=8.119 ppm2=1.544

assign ( resid  81  and name H  )   ( resid  80  and name H   ) 3.6 1.8 1.8 volume=1584333.438 peak=335 ppm1=8.608 ppm2=8.120

assign ( resid  81  and name H  )   ( resid  81  and name HA   ) 3.2 1.5 1.6 volume=3083179.000 peak=336 ppm1=8.612 ppm2=3.673

assign ( resid  81  and name H  )   ( resid  81  and name HB   ) 3.0 1.3 1.5 volume=4508126.500 peak=337 ppm1=8.609 ppm2=2.173

assign ( resid  81  and name H  )   ( resid  80  and name HB3   ) 3.6 1.8 1.8 volume=1583281.562 peak=338 ppm1=8.610 ppm2=1.945

assign ( resid  82  and name H  )   ( resid  79  and name HA   ) 3.3 1.6 1.6 volume=2536892.375 peak=339 ppm1=8.681 ppm2=4.325

assign ( resid  82  and name H  )   ( resid  82  and name HB3   ) 3.3 1.6 1.6 volume=2463017.812 peak=340 ppm1=8.683 ppm2=3.031

assign ( resid  82  and name H  )   ( resid  82  and name HB2   ) 3.3 1.5 1.6 volume=2656446.500 peak=341 ppm1=8.682 ppm2=2.536

assign ( resid  83  and name H  )   ( resid  82  and name H   ) 3.3 1.5 1.6 volume=2627463.125 peak=342 ppm1=7.615 ppm2=8.683

assign ( resid  83  and name H  )   ( resid  84  and name H   ) 3.2 1.5 1.6 volume=2756484.938 peak=343 ppm1=7.615 ppm2=7.865

assign ( resid  83  and name H  )   ( resid  83  and name HA   ) 3.2 1.5 1.6 volume=2926239.750 peak=344 ppm1=7.614 ppm2=4.494

assign ( resid  83  and name H  )   ( resid  80  and name HA   ) 4.0 2.0 2.0 volume=829742.000 peak=345 ppm1=7.611 ppm2=4.176

assign ( resid  83  and name H  )   ( resid  79  and name HA   ) 4.2 2.1 1.8 volume=612941.562 peak=346 ppm1=7.610 ppm2=4.326

assign ( resid  83  and name H  )   ( resid  83  and name HB2   ) 2.7 1.0 1.4 volume=7741586.000 peak=347 ppm1=7.611 ppm2=3.014

assign ( resid  83  and name H  )   ( resid  82  and name HB2   ) 4.1 2.0 1.9 volume=700656.188 peak=348 ppm1=7.611 ppm2=2.533

assign ( resid  84  and name H  )   ( resid  81  and name HA   ) 4.1 2.1 1.9 volume=627131.125 peak=349 ppm1=7.864 ppm2=3.673

assign ( resid  84  and name H  )   ( resid  83  and name HB2   ) 3.3 1.5 1.6 volume=2679816.875 peak=350 ppm1=7.863 ppm2=3.014

assign ( resid  84  and name H  )   ( resid  84  and name HA   ) 3.0 1.3 1.5 volume=4249011.125 peak=351 ppm1=7.867 ppm2=4.034

assign ( resid  84  and name H  )   ( resid  83  and name H   ) 3.4 1.7 1.7 volume=2092499.500 peak=352 ppm1=7.868 ppm2=7.621

assign ( resid  84  and name H  )   ( resid  85  and name H   ) 3.2 1.5 1.6 volume=2723163.812 peak=353 ppm1=7.869 ppm2=8.696

assign ( resid  85  and name H  )   ( resid  84  and name H   ) 3.6 1.8 1.8 volume=1345517.688 peak=354 ppm1=8.707 ppm2=7.865

assign ( resid  85  and name H  )   ( resid  85  and name HA   ) 3.5 1.7 1.7 volume=1785067.688 peak=355 ppm1=8.710 ppm2=3.983

assign ( resid  85  and name H  )   ( resid  85  and name HB3   ) 3.6 1.8 1.8 volume=1461039.062 peak=356 ppm1=8.710 ppm2=1.281

assign ( resid  86  and name H  )   ( resid  87  and name H   ) 3.3 1.5 1.6 volume=2689058.125 peak=357 ppm1=8.671 ppm2=7.639

assign ( resid  86  and name H  )   ( resid  85  and name HA   ) 4.6 2.3 1.4 volume=331618.812 peak=358 ppm1=8.667 ppm2=3.975

assign ( resid  86  and name H  )   ( resid  86  and name HA   ) 3.2 1.4 1.6 volume=3143892.500 peak=359 ppm1=8.671 ppm2=3.669

assign ( resid  86  and name H  )   ( resid  86  and name HB3   ) 2.6 0.8 1.3 volume=11167542.875 peak=360 ppm1=8.671 ppm2=2.125

assign ( resid  86  and name H  )   ( resid  85  and name HB3   ) 4.1 2.1 1.9 volume=665272.438 peak=361 ppm1=8.671 ppm2=1.276

assign ( resid  87  and name H  )   ( resid  86  and name H   ) 3.3 1.6 1.7 volume=2360714.938 peak=362 ppm1=7.647 ppm2=8.676

assign ( resid  87  and name H  )   ( resid  87  and name HA   ) 3.1 1.4 1.5 volume=3714550.562 peak=363 ppm1=7.647 ppm2=3.946

assign ( resid  87  and name H  )   ( resid  87  and name HB2   ) 2.7 1.0 1.4 volume=7607103.375 peak=364 ppm1=7.647 ppm2=1.995

assign ( resid  88  and name H  )   ( resid  89  and name H   ) 3.2 1.5 1.6 volume=2704913.875 peak=365 ppm1=7.795 ppm2=8.561

assign ( resid  88  and name H  )   ( resid  87  and name H   ) 3.1 1.4 1.6 volume=3542326.562 peak=366 ppm1=7.794 ppm2=7.637

assign ( resid  88  and name H  )   ( resid  88  and name HA   ) 2.9 1.2 1.5 volume=5303618.125 peak=367 ppm1=7.794 ppm2=4.012

assign ( resid  88  and name H  )   ( resid  88  and name HB3   ) 2.8 1.1 1.4 volume=6292489.750 peak=368 ppm1=7.797 ppm2=2.253

assign ( resid  88  and name H  )   ( resid  87  and name HB2   ) 3.1 1.4 1.6 volume=3346561.312 peak=369 ppm1=7.793 ppm2=1.995

assign ( resid  89  and name H  )   ( resid  90  and name H   ) 2.9 1.2 1.5 volume=5107580.875 peak=370 ppm1=8.565 ppm2=7.807

assign ( resid  89  and name H  )   ( resid  88  and name HA   ) 4.3 2.2 1.7 volume=488806.750 peak=371 ppm1=8.569 ppm2=4.004

assign ( resid  89  and name H  )   ( resid  89  and name HA   ) 3.5 1.8 1.8 volume=1678705.062 peak=372 ppm1=8.568 ppm2=3.793

assign ( resid  89  and name H  )   ( resid  88  and name HB3   ) 3.2 1.5 1.6 volume=2706148.188 peak=373 ppm1=8.563 ppm2=2.241

assign ( resid  89  and name H  )   ( resid  88  and name HB2   ) 2.9 1.1 1.4 volume=5780740.938 peak=374 ppm1=8.562 ppm2=2.033

assign ( resid  90  and name H  )   ( resid  89  and name H   ) 3.3 1.6 1.6 volume=2466732.688 peak=375 ppm1=7.820 ppm2=8.565

assign ( resid  90  and name H  )   ( resid  91  and name H   ) 3.3 1.6 1.6 volume=2594978.125 peak=376 ppm1=7.823 ppm2=7.657

assign ( resid  90  and name H  )   ( resid  90  and name HA   ) 3.1 1.4 1.6 volume=3469188.250 peak=377 ppm1=7.822 ppm2=3.864

assign ( resid  90  and name H  )   ( resid  89  and name HB   ) 3.4 1.7 1.7 volume=1971474.438 peak=378 ppm1=7.819 ppm2=2.029

assign ( resid  91  and name H  )   ( resid  92  and name H   ) 2.8 1.1 1.4 volume=6559968.938 peak=379 ppm1=7.663 ppm2=7.843

assign ( resid  91  and name H  )   ( resid  91  and name HA   ) 3.1 1.3 1.5 volume=3806527.375 peak=380 ppm1=7.663 ppm2=4.061

assign ( resid  91  and name H  )   ( resid  90  and name HA   ) 4.4 2.2 1.6 volume=411441.688 peak=381 ppm1=7.662 ppm2=3.875

assign ( resid  91  and name H  )   ( resid  91  and name HB2   ) 2.7 1.0 1.3 volume=8334389.875 peak=382 ppm1=7.666 ppm2=1.792

assign ( resid  92  and name H  )   ( resid  93  and name H   ) 3.7 1.9 1.9 volume=1202175.625 peak=383 ppm1=7.846 ppm2=8.088

assign ( resid  92  and name H  )   ( resid  91  and name H   ) 3.3 1.6 1.6 volume=2479835.938 peak=384 ppm1=7.850 ppm2=7.662

assign ( resid  92  and name H  )   ( resid  92  and name HA   ) 3.4 1.6 1.7 volume=2200535.688 peak=385 ppm1=7.848 ppm2=4.513

assign ( resid  92  and name H  )   ( resid  92  and name HB3   ) 3.2 1.5 1.6 volume=2795772.125 peak=386 ppm1=7.846 ppm2=3.263

assign ( resid  92  and name H  )   ( resid  92  and name HB2   ) 3.1 1.4 1.5 volume=3590489.688 peak=387 ppm1=7.848 ppm2=3.032

assign ( resid  93  and name H  )   ( resid  92  and name H   ) 3.8 1.9 1.9 volume=1057186.000 peak=388 ppm1=8.074 ppm2=7.863

assign ( resid  93  and name H  )   ( resid  93  and name HA   ) 3.4 1.7 1.7 volume=2057613.062 peak=389 ppm1=8.077 ppm2=4.028

assign ( resid  93  and name H  )   ( resid  92  and name HA   ) 3.8 1.9 1.9 volume=1050369.250 peak=390 ppm1=8.077 ppm2=4.520

assign ( resid  93  and name H  )   ( resid  92  and name HB3   ) 4.1 2.0 1.9 volume=681254.875 peak=391 ppm1=8.072 ppm2=3.258

assign ( resid  93  and name H  )   ( resid  92  and name HB2   ) 4.6 2.3 1.4 volume=318657.875 peak=392 ppm1=8.081 ppm2=3.042

assign ( resid  93  and name H  )   ( resid  93  and name HG3   ) 3.4 1.7 1.7 volume=1910922.125 peak=393 ppm1=8.077 ppm2=1.599

assign ( resid  94  and name H  )   ( resid  94  and name HA   ) 3.5 1.7 1.7 volume=1821164.562 peak=394 ppm1=7.944 ppm2=4.272

assign ( resid  94  and name H  )   ( resid  93  and name HA   ) 3.9 1.9 1.9 volume=942429.500 peak=395 ppm1=7.945 ppm2=4.042

assign ( resid  94  and name H  )   ( resid  93  and name HB2   ) 4.0 2.0 2.0 volume=787685.312 peak=396 ppm1=7.943 ppm2=1.981

assign ( resid  94  and name H  )   ( resid  94  and name HG1   ) 4.0 2.0 2.0 volume=768555.875 peak=397 ppm1=7.944 ppm2=1.285

assign ( resid  95  and name H  )   ( resid  95  and name HA   ) 3.3 1.6 1.7 volume=2345375.062 peak=398 ppm1=7.884 ppm2=4.271

assign ( resid  95  and name H  )   ( resid  95  and name HB3   ) 3.4 1.7 1.7 volume=2088298.500 peak=399 ppm1=7.881 ppm2=1.877

assign ( resid  96  and name H  )   ( resid  96  and name HA   ) 3.2 1.5 1.6 volume=3061614.000 peak=400 ppm1=7.860 ppm2=4.060

assign ( resid  96  and name H  )   ( resid  96  and name HB   ) 2.7 1.0 1.4 volume=7489073.188 peak=401 ppm1=7.868 ppm2=1.846

assign ( resid  96  and name H  )   ( resid  96  and name HD1#   ) 4.3 2.2 1.7 volume=482072.062 peak=402 ppm1=7.863 ppm2=0.836

assign ( resid  98  and name H  )   ( resid  98  and name HA   ) 4.4 2.2 1.6 volume=434749.250 peak=403 ppm1=8.096 ppm2=4.276

assign ( resid  99  and name H  )   ( resid  99  and name HA   ) 3.1 1.4 1.6 volume=3285480.875 peak=404 ppm1=8.310 ppm2=4.317

assign ( resid  103  and name H  )   ( resid  103  and name HA   ) 3.2 1.5 1.6 volume=2731859.938 peak=405 ppm1=8.311 ppm2=4.323

assign ( resid  104  and name H  )   ( resid  104  and name HA3   ) 4.1 2.1 1.9 volume=645016.500 peak=406 ppm1=8.446 ppm2=3.958

assign ( resid  108  and name H  )   ( resid  107  and name HA   ) 2.9 1.2 1.5 volume=4947806.875 peak=407 ppm1=7.972 ppm2=4.235

assign ( resid  108  and name H  )   ( resid  108  and name HA   ) 4.6 2.3 1.4 volume=332643.750 peak=408 ppm1=7.972 ppm2=4.033

assign ( resid  108  and name H  )   ( resid  108  and name HB   ) 3.3 1.6 1.7 volume=2332461.938 peak=409 ppm1=7.972 ppm2=1.958

assign ( resid  108  and name H  )   ( resid  108  and name HG1#   ) 3.6 1.8 1.8 volume=1353371.812 peak=410 ppm1=7.971 ppm2=0.849

assign ( resid  109  and name H  )   ( resid  109  and name HB3   ) 3.9 2.0 2.0 volume=860382.562 peak=411 ppm1=8.201 ppm2=3.000

assign ( resid  109  and name H  )   ( resid  108  and name HA   ) 3.3 1.5 1.6 volume=2646200.938 peak=412 ppm1=8.214 ppm2=4.033

assign ( resid  110  and name H  )   ( resid  110  and name HA   ) 4.8 2.4 1.2 volume=249029.125 peak=413 ppm1=7.972 ppm2=4.032

assign ( resid  110  and name H  )   ( resid  110  and name HB   ) 3.9 1.9 1.9 volume=965002.562 peak=414 ppm1=7.968 ppm2=1.967

assign ( resid  110  and name H  )   ( resid  110  and name HG1#   ) 3.7 1.8 1.8 volume=1239840.625 peak=415 ppm1=7.970 ppm2=0.860

assign ( resid  71  and name HD22  )   ( resid  71  and name HB3   ) 3.3 1.6 1.6 volume=2519109.750 peak=416 ppm1=7.812 ppm2=2.531

assign ( resid  71  and name HD21  )   ( resid  71  and name HB3   ) 3.5 1.7 1.7 volume=1743969.250 peak=417 ppm1=7.087 ppm2=2.527

assign ( resid  82  and name HD21  )   ( resid  82  and name HB3   ) 4.0 2.0 2.0 volume=725266.562 peak=418 ppm1=7.325 ppm2=3.025

assign ( resid  82  and name HD22  )   ( resid  82  and name HB3   ) 4.2 2.1 1.8 volume=598249.250 peak=419 ppm1=6.240 ppm2=3.032

assign ( resid  82  and name HD21  )   ( resid  82  and name HD22   ) 2.6 0.9 1.3 volume=10536941.750 peak=420 ppm1=7.330 ppm2=6.247

assign ( resid  82  and name HD22  )   ( resid  82  and name HD21   ) 2.6 0.9 1.3 volume=9789822.688 peak=421 ppm1=6.236 ppm2=7.336

assign ( resid  97  and name HD22  )   ( resid  97  and name HA   ) 2.6 0.8 1.3 volume=11260305.938 peak=422 ppm1=7.535 ppm2=4.699

assign ( resid  97  and name HD22  )   ( resid  97  and name HD21   ) 2.5 0.8 1.3 volume=12594677.062 peak=423 ppm1=7.538 ppm2=6.803

assign ( resid  62  and name HD22  )   ( resid  62  and name HA   ) 2.6 0.9 1.3 volume=10938469.500 peak=424 ppm1=6.977 ppm2=4.703

assign ( resid  62  and name HD21  )   ( resid  62  and name HB2   ) 4.0 2.0 2.0 volume=761043.312 peak=425 ppm1=7.583 ppm2=2.879

assign ( resid  62  and name HD21  )   ( resid  62  and name HA   ) 2.5 0.8 1.2 volume=13081403.562 peak=426 ppm1=7.581 ppm2=4.708

assign ( resid  62  and name HD21  )   ( resid  62  and name HD22   ) 2.8 1.1 1.4 volume=6594159.375 peak=427 ppm1=7.579 ppm2=6.972

assign ( resid  62  and name HD22  )   ( resid  62  and name HD21   ) 2.8 1.1 1.4 volume=5947574.250 peak=428 ppm1=6.976 ppm2=7.591

assign ( resid  49  and name HD22  )   ( resid  49  and name HB3   ) 3.8 1.9 1.9 volume=1038692.250 peak=429 ppm1=7.373 ppm2=2.912

assign ( resid  49  and name HD22  )   ( resid  49  and name HD21   ) 2.6 0.9 1.3 volume=9568426.875 peak=430 ppm1=7.369 ppm2=6.946

assign ( resid  49  and name HD21  )   ( resid  49  and name HD22   ) 2.6 0.9 1.3 volume=9365964.438 peak=431 ppm1=6.942 ppm2=7.372

assign ( resid  7  and name H  )   ( resid  43  and name HA   ) 3.8 1.9 1.9 volume=1114389.875 peak=432 ppm1=9.135 ppm2=5.350

assign ( resid  15  and name H  )   ( resid  14  and name HB   ) 3.5 1.8 1.8 volume=1669003.625 peak=433 ppm1=8.813 ppm2=4.151

assign ( resid  19  and name H  )   ( resid  18  and name HB2   ) 3.1 1.4 1.6 volume=3284611.938 peak=434 ppm1=8.609 ppm2=1.823

assign ( resid  21  and name H  )   ( resid  17  and name HG2#   ) 3.2 1.5 1.6 volume=2764500.062 peak=435 ppm1=8.153 ppm2=0.759

assign ( resid  27  and name H  )   ( resid  27  and name HD3   ) 3.3 1.6 1.6 volume=2515107.500 peak=436 ppm1=7.079 ppm2=1.740

assign ( resid  27  and name H  )   ( resid  27  and name HB2   ) 2.8 1.1 1.4 volume=6661958.500 peak=437 ppm1=7.082 ppm2=1.950

assign ( resid  40  and name H  )   ( resid  4  and name HA   ) 3.5 1.8 1.8 volume=1691550.688 peak=438 ppm1=8.397 ppm2=4.937

assign ( resid  41  and name H  )   ( resid  57  and name H   ) 4.0 2.0 2.0 volume=730648.062 peak=439 ppm1=9.082 ppm2=8.875

assign ( resid  42  and name H  )   ( resid  6  and name HA   ) 3.8 1.9 1.9 volume=1024741.750 peak=440 ppm1=9.319 ppm2=4.921

assign ( resid  25  and name H  )   ( resid  24  and name H   ) 3.7 1.9 1.9 volume=1167104.312 peak=441 ppm1=8.272 ppm2=7.895

assign ( resid  25  and name H  )   ( resid  25  and name HA   ) 3.4 1.7 1.7 volume=1894863.750 peak=442 ppm1=8.274 ppm2=4.092

assign ( resid  25  and name H  )   ( resid  25  and name HB   ) 3.4 1.7 1.7 volume=2097335.938 peak=443 ppm1=8.269 ppm2=2.125

assign ( resid  25  and name H  )   ( resid  24  and name HB2   ) 3.0 1.3 1.5 volume=4234339.000 peak=444 ppm1=8.270 ppm2=1.514

assign ( resid  25  and name H  )   ( resid  25  and name HG2#   ) 3.7 1.8 1.8 volume=1302788.750 peak=445 ppm1=8.273 ppm2=0.982

assign ( resid  46  and name H  )   ( resid  44  and name HG1#   ) 4.2 2.1 1.8 volume=566825.938 peak=446 ppm1=8.270 ppm2=0.807

assign ( resid  54  and name H  )   ( resid  70  and name HA   ) 4.0 2.0 2.0 volume=751439.625 peak=447 ppm1=8.999 ppm2=5.450

assign ( resid  55  and name H  )   ( resid  43  and name H   ) 4.0 2.0 2.0 volume=734850.438 peak=448 ppm1=9.042 ppm2=9.386

assign ( resid  61  and name H  )   ( resid  60  and name HB3   ) 3.2 1.4 1.6 volume=3152189.375 peak=449 ppm1=8.124 ppm2=1.557

assign ( resid  75  and name H  )   ( resid  75  and name HE#   ) 3.7 1.8 1.8 volume=1308401.125 peak=450 ppm1=7.472 ppm2=6.299

assign ( resid  81  and name H  )   ( resid  80  and name HB2   ) 3.4 1.6 1.7 volume=2211225.312 peak=451 ppm1=8.607 ppm2=1.559

assign ( resid  86  and name H  )   ( resid  28  and name HD1#   ) 3.4 1.6 1.7 volume=2215269.188 peak=452 ppm1=8.676 ppm2=0.940

assign ( resid  97  and name HD21  )   ( resid  97  and name HD22   ) 2.4 0.7 1.2 volume=15375162.938 peak=453 ppm1=6.799 ppm2=7.538

assign ( resid  99  and name H  )   ( resid  98  and name HB3   ) 3.6 1.8 1.8 volume=1419174.500 peak=454 ppm1=8.310 ppm2=1.933

assign ( resid  2  and name H  )   ( resid  2  and name HA   ) 3.5 1.7 1.7 volume=1794545.188 peak=455 ppm1=8.801 ppm2=4.318

assign ( resid  2  and name H  )   ( resid  3  and name HG2   ) 3.3 1.6 1.7 volume=2358332.750 peak=456 ppm1=8.800 ppm2=1.526

assign ( resid  2  and name H  )   ( resid  2  and name HD1#   ) 4.2 2.1 1.8 volume=599173.125 peak=457 ppm1=8.797 ppm2=0.671

assign ( resid  3  and name H  )   ( resid  39  and name HA   ) 3.2 1.5 1.6 volume=2905545.750 peak=458 ppm1=8.133 ppm2=4.495

assign ( resid  3  and name H  )   ( resid  2  and name HB   ) 3.5 1.8 1.8 volume=1612197.875 peak=459 ppm1=8.132 ppm2=1.504

assign ( resid  3  and name H  )   ( resid  39  and name HG2#   ) 4.0 2.0 2.0 volume=741618.062 peak=460 ppm1=8.128 ppm2=0.715

assign ( resid  5  and name H  )   ( resid  41  and name HA   ) 3.7 1.9 1.9 volume=1201951.062 peak=461 ppm1=8.784 ppm2=5.088

assign ( resid  5  and name H  )   ( resid  39  and name HG2#   ) 4.3 2.2 1.7 volume=476126.812 peak=462 ppm1=8.786 ppm2=0.726

assign ( resid  5  and name H  )   ( resid  40  and name HB#   ) 4.6 2.3 1.4 volume=347403.438 peak=463 ppm1=8.787 ppm2=0.690

assign ( resid  5  and name H  )   ( resid  39  and name HG1#   ) 5.8 2.9 0.2 volume=85612.312 peak=464 ppm1=8.784 ppm2=0.383

assign ( resid  6  and name H  )   ( resid  5  and name HB2   ) 3.1 1.4 1.5 volume=3738940.812 peak=465 ppm1=8.604 ppm2=1.731

assign ( resid  6  and name H  )   ( resid  5  and name H   ) 4.2 2.1 1.8 volume=542005.312 peak=466 ppm1=8.600 ppm2=8.781

assign ( resid  8  and name H  )   ( resid  13  and name HG2#   ) 4.7 2.4 1.3 volume=278516.062 peak=467 ppm1=8.683 ppm2=0.760

assign ( resid  8  and name H  )   ( resid  7  and name HB3   ) 4.9 2.5 1.1 volume=223631.750 peak=468 ppm1=8.691 ppm2=3.247

assign ( resid  9  and name H  )   ( resid  45  and name HA   ) 4.2 2.1 1.8 volume=592652.688 peak=469 ppm1=8.668 ppm2=4.941

assign ( resid  9  and name H  )   ( resid  9  and name HB2   ) 4.2 2.1 1.8 volume=550582.875 peak=470 ppm1=8.674 ppm2=2.722

assign ( resid  9  and name H  )   ( resid  44  and name HG1#   ) 4.3 2.2 1.7 volume=473238.938 peak=471 ppm1=8.674 ppm2=0.772

assign ( resid  10  and name H  )   ( resid  10  and name HB3   ) 4.8 2.4 1.2 volume=273544.875 peak=472 ppm1=8.436 ppm2=2.888

assign ( resid  11  and name H  )   ( resid  10  and name HA   ) 3.9 2.0 2.0 volume=876572.500 peak=473 ppm1=7.576 ppm2=4.379

assign ( resid  11  and name H  )   ( resid  11  and name HB3   ) 4.6 2.3 1.4 volume=350822.375 peak=474 ppm1=7.578 ppm2=1.688

assign ( resid  11  and name H  )   ( resid  11  and name HB2   ) 4.6 2.3 1.4 volume=334037.250 peak=475 ppm1=7.563 ppm2=1.507

assign ( resid  12  and name H  )   ( resid  11  and name HB2   ) 4.3 2.1 1.7 volume=517962.875 peak=476 ppm1=8.171 ppm2=1.505

assign ( resid  12  and name H  )   ( resid  11  and name HB3   ) 4.3 2.1 1.7 volume=526782.812 peak=477 ppm1=8.170 ppm2=1.677

assign ( resid  12  and name H  )   ( resid  10  and name HB3   ) 4.5 2.3 1.5 volume=380087.125 peak=478 ppm1=8.162 ppm2=2.878

assign ( resid  12  and name H  )   ( resid  10  and name HB2   ) 4.7 2.3 1.3 volume=306288.250 peak=479 ppm1=8.162 ppm2=2.960

assign ( resid  13  and name H  )   ( resid  13  and name HG12   ) 4.0 2.0 2.0 volume=772713.875 peak=480 ppm1=8.531 ppm2=1.409

assign ( resid  13  and name H  )   ( resid  13  and name HG13   ) 4.2 2.1 1.8 volume=555368.062 peak=481 ppm1=8.531 ppm2=1.236

assign ( resid  13  and name H  )   ( resid  13  and name HG2#   ) 4.7 2.4 1.3 volume=276343.750 peak=482 ppm1=8.535 ppm2=0.758

assign ( resid  16  and name H  )   ( resid  14  and name HB   ) 3.6 1.8 1.8 volume=1352056.688 peak=483 ppm1=8.154 ppm2=4.126

assign ( resid  16  and name H  )   ( resid  15  and name HA   ) 4.6 2.3 1.4 volume=345743.812 peak=484 ppm1=8.160 ppm2=4.304

assign ( resid  16  and name H  )   ( resid  14  and name HA   ) 5.9 3.0 0.1 volume=73646.500 peak=485 ppm1=8.156 ppm2=4.419

assign ( resid  16  and name H  )   ( resid  18  and name H   ) 4.1 2.1 1.9 volume=648360.125 peak=486 ppm1=8.151 ppm2=8.334

assign ( resid  17  and name H  )   ( resid  16  and name H   ) 4.6 2.3 1.4 volume=323153.062 peak=487 ppm1=7.368 ppm2=8.165

assign ( resid  17  and name H  )   ( resid  16  and name HA   ) 5.5 2.8 0.5 volume=110058.125 peak=488 ppm1=7.354 ppm2=4.178

assign ( resid  17  and name H  )   ( resid  17  and name HD1#   ) 3.9 2.0 2.0 volume=897209.000 peak=489 ppm1=7.370 ppm2=0.655

assign ( resid  18  and name H  )   ( resid  18  and name HB3   ) 2.9 1.2 1.5 volume=5237654.062 peak=490 ppm1=8.336 ppm2=1.725

assign ( resid  18  and name H  )   ( resid  18  and name HB2   ) 2.8 1.1 1.4 volume=6544001.000 peak=491 ppm1=8.335 ppm2=1.842

assign ( resid  18  and name H  )   ( resid  15  and name HA   ) 3.8 1.9 1.9 volume=1038500.062 peak=492 ppm1=8.334 ppm2=4.304

assign ( resid  18  and name H  )   ( resid  16  and name H   ) 6.0 3.0 0.0 volume=10539.000 peak=493 ppm1=8.334 ppm2=8.168

assign ( resid  19  and name H  )   ( resid  15  and name HA   ) 3.2 1.4 1.6 volume=3179363.062 peak=494 ppm1=8.612 ppm2=4.303

assign ( resid  19  and name H  )   ( resid  16  and name HA   ) 4.3 2.1 1.7 volume=511500.375 peak=495 ppm1=8.612 ppm2=4.181

assign ( resid  19  and name H  )   ( resid  18  and name HA   ) 5.5 2.7 0.5 volume=116198.250 peak=496 ppm1=8.612 ppm2=3.570

assign ( resid  19  and name H  )   ( resid  19  and name HB2   ) 3.1 1.4 1.5 volume=3785798.000 peak=497 ppm1=8.610 ppm2=2.786

assign ( resid  19  and name H  )   ( resid  18  and name HB3   ) 3.3 1.6 1.7 volume=2356897.562 peak=498 ppm1=8.611 ppm2=1.730

assign ( resid  20  and name H  )   ( resid  19  and name HB2   ) 3.9 1.9 1.9 volume=919719.688 peak=499 ppm1=7.825 ppm2=2.785

assign ( resid  20  and name H  )   ( resid  19  and name HA   ) 4.1 2.1 1.9 volume=622142.250 peak=500 ppm1=7.836 ppm2=4.311

assign ( resid  20  and name H  )   ( resid  22  and name H   ) 2.6 0.8 1.3 volume=11114310.312 peak=501 ppm1=7.822 ppm2=7.886

assign ( resid  22  and name H  )   ( resid  22  and name HB2   ) 3.0 1.3 1.5 volume=4417546.500 peak=502 ppm1=7.889 ppm2=1.764

assign ( resid  22  and name H  )   ( resid  21  and name HA   ) 5.7 2.8 0.3 volume=95025.812 peak=503 ppm1=7.888 ppm2=3.269

assign ( resid  22  and name H  )   ( resid  19  and name HA   ) 4.5 2.2 1.5 volume=385226.500 peak=504 ppm1=7.890 ppm2=4.320

assign ( resid  22  and name H  )   ( resid  20  and name H   ) 2.4 0.7 1.2 volume=15080386.688 peak=505 ppm1=7.881 ppm2=7.821

assign ( resid  22  and name H  )   ( resid  21  and name H   ) 3.1 1.4 1.6 volume=3287680.188 peak=506 ppm1=7.886 ppm2=8.134

assign ( resid  23  and name H  )   ( resid  24  and name H   ) 2.9 1.2 1.5 volume=5244825.812 peak=507 ppm1=8.171 ppm2=7.881

assign ( resid  23  and name H  )   ( resid  20  and name HA   ) 4.3 2.2 1.7 volume=477110.312 peak=508 ppm1=8.170 ppm2=4.108

assign ( resid  23  and name H  )   ( resid  22  and name HB2   ) 3.3 1.6 1.6 volume=2543421.688 peak=509 ppm1=8.169 ppm2=1.763

assign ( resid  24  and name H  )   ( resid  21  and name HA   ) 6.0 3.0 0.0 volume=47429.938 peak=510 ppm1=7.905 ppm2=3.270

assign ( resid  24  and name H  )   ( resid  23  and name HA   ) 4.5 2.3 1.5 volume=376664.875 peak=511 ppm1=7.896 ppm2=3.917

assign ( resid  25  and name H  )   ( resid  24  and name HA   ) 3.5 1.8 1.8 volume=1601728.875 peak=512 ppm1=8.272 ppm2=4.028

assign ( resid  25  and name H  )   ( resid  21  and name HA   ) 4.9 2.5 1.1 volume=223649.188 peak=513 ppm1=8.273 ppm2=3.293

assign ( resid  25  and name H  )   ( resid  28  and name HD1#   ) 3.8 1.9 1.9 volume=1121967.250 peak=514 ppm1=8.270 ppm2=0.940

assign ( resid  26  and name H  )   ( resid  25  and name HG2#   ) 4.8 2.4 1.2 volume=251866.375 peak=515 ppm1=7.678 ppm2=0.996

assign ( resid  26  and name H  )   ( resid  23  and name HA   ) 3.3 1.6 1.7 volume=2331148.438 peak=516 ppm1=7.667 ppm2=3.886

assign ( resid  26  and name H  )   ( resid  24  and name H   ) 4.4 2.2 1.6 volume=423748.375 peak=517 ppm1=7.677 ppm2=7.880

assign ( resid  28  and name H  )   ( resid  28  and name HD1#   ) 4.1 2.1 1.9 volume=637470.812 peak=518 ppm1=8.093 ppm2=0.964

assign ( resid  28  and name H  )   ( resid  28  and name HG   ) 3.4 1.7 1.7 volume=2078306.312 peak=519 ppm1=8.099 ppm2=1.560

assign ( resid  28  and name H  )   ( resid  27  and name HB2   ) 2.9 1.2 1.5 volume=5107093.125 peak=520 ppm1=8.101 ppm2=1.939

assign ( resid  28  and name H  )   ( resid  28  and name HB3   ) 2.9 1.2 1.4 volume=5607648.750 peak=521 ppm1=8.102 ppm2=1.968

assign ( resid  28  and name H  )   ( resid  25  and name HA   ) 3.8 1.9 1.9 volume=1014182.625 peak=522 ppm1=8.097 ppm2=4.090

assign ( resid  28  and name H  )   ( resid  28  and name HA   ) 3.3 1.6 1.7 volume=2419814.062 peak=523 ppm1=8.102 ppm2=4.192

assign ( resid  28  and name H  )   ( resid  27  and name HA   ) 3.3 1.6 1.7 volume=2283444.438 peak=524 ppm1=8.103 ppm2=4.253

assign ( resid  29  and name H  )   ( resid  26  and name HA3   ) 4.0 2.0 2.0 volume=783820.812 peak=525 ppm1=7.396 ppm2=4.287

assign ( resid  29  and name H  )   ( resid  29  and name HB3   ) 2.9 1.2 1.5 volume=4905438.500 peak=526 ppm1=7.390 ppm2=2.047

assign ( resid  29  and name H  )   ( resid  28  and name HB3   ) 2.9 1.2 1.5 volume=4862509.500 peak=527 ppm1=7.391 ppm2=1.961

assign ( resid  29  and name H  )   ( resid  28  and name HG   ) 4.8 2.4 1.2 volume=264183.062 peak=528 ppm1=7.398 ppm2=1.557

assign ( resid  30  and name H  )   ( resid  29  and name HB3   ) 3.9 1.9 1.9 volume=964327.188 peak=529 ppm1=7.234 ppm2=2.040

assign ( resid  30  and name H  )   ( resid  29  and name HA   ) 5.6 2.8 0.4 volume=106060.812 peak=530 ppm1=7.227 ppm2=3.226

assign ( resid  30  and name H  )   ( resid  27  and name HA   ) 4.3 2.2 1.7 volume=481605.250 peak=531 ppm1=7.231 ppm2=4.224

assign ( resid  32  and name H  )   ( resid  31  and name HB2   ) 3.2 1.5 1.6 volume=2907052.750 peak=532 ppm1=7.679 ppm2=3.088

assign ( resid  32  and name H  )   ( resid  29  and name HA   ) 3.2 1.5 1.6 volume=2928910.312 peak=533 ppm1=7.670 ppm2=3.218

assign ( resid  32  and name H  )   ( resid  30  and name HA   ) 3.7 1.8 1.8 volume=1268695.500 peak=534 ppm1=7.675 ppm2=4.071

assign ( resid  32  and name H  )   ( resid  31  and name H   ) 2.2 0.5 1.1 volume=29764919.062 peak=535 ppm1=7.678 ppm2=7.736

assign ( resid  34  and name H  )   ( resid  33  and name HA   ) 3.7 1.9 1.9 volume=1148359.188 peak=536 ppm1=8.755 ppm2=4.518

assign ( resid  35  and name H  )   ( resid  33  and name HA   ) 3.2 1.5 1.6 volume=2889263.312 peak=537 ppm1=7.736 ppm2=4.534

assign ( resid  35  and name H  )   ( resid  34  and name H   ) 4.8 2.4 1.2 volume=270543.062 peak=538 ppm1=7.736 ppm2=8.750

assign ( resid  37  and name H  )   ( resid  35  and name HA   ) 3.3 1.6 1.7 volume=2342138.500 peak=539 ppm1=8.113 ppm2=4.462

assign ( resid  37  and name H  )   ( resid  36  and name HB3   ) 5.4 2.7 0.6 volume=131401.312 peak=540 ppm1=8.111 ppm2=2.241

assign ( resid  37  and name H  )   ( resid  61  and name HB3   ) 4.2 2.1 1.8 volume=611003.062 peak=541 ppm1=8.118 ppm2=1.826

assign ( resid  37  and name H  )   ( resid  35  and name HG1#   ) 4.3 2.1 1.7 volume=509926.312 peak=542 ppm1=8.111 ppm2=0.912

assign ( resid  38  and name H  )   ( resid  35  and name HG1#   ) 4.5 2.2 1.5 volume=400465.625 peak=543 ppm1=8.130 ppm2=0.917

assign ( resid  38  and name H  )   ( resid  2  and name HA   ) 3.3 1.6 1.6 volume=2517402.500 peak=544 ppm1=8.126 ppm2=4.319

assign ( resid  38  and name H  )   ( resid  39  and name H   ) 2.5 0.8 1.2 volume=13185232.062 peak=545 ppm1=8.135 ppm2=8.232

assign ( resid  39  and name H  )   ( resid  38  and name H   ) 2.8 1.1 1.4 volume=6119844.312 peak=546 ppm1=8.228 ppm2=8.137

assign ( resid  39  and name H  )   ( resid  60  and name HA   ) 3.0 1.3 1.5 volume=4136172.375 peak=547 ppm1=8.232 ppm2=4.667

assign ( resid  39  and name H  )   ( resid  39  and name HG1#   ) 4.5 2.2 1.5 volume=389149.875 peak=548 ppm1=8.232 ppm2=0.387

assign ( resid  40  and name H  )   ( resid  39  and name HG2#   ) 3.0 1.3 1.5 volume=4009068.875 peak=549 ppm1=8.396 ppm2=0.731

assign ( resid  40  and name H  )   ( resid  5  and name H   ) 4.7 2.3 1.3 volume=310500.250 peak=550 ppm1=8.381 ppm2=8.801

assign ( resid  41  and name H  )   ( resid  58  and name HA   ) 3.6 1.8 1.8 volume=1537417.812 peak=551 ppm1=9.077 ppm2=5.044

assign ( resid  41  and name H  )   ( resid  39  and name HG2#   ) 3.6 1.8 1.8 volume=1491298.938 peak=552 ppm1=9.088 ppm2=0.725

assign ( resid  42  and name H  )   ( resid  6  and name HG2#   ) 4.5 2.3 1.5 volume=366878.062 peak=553 ppm1=9.313 ppm2=0.712

assign ( resid  42  and name H  )   ( resid  42  and name HA   ) 2.8 1.1 1.4 volume=6222443.000 peak=554 ppm1=9.315 ppm2=5.126

assign ( resid  42  and name H  )   ( resid  7  and name H   ) 4.7 2.3 1.3 volume=311922.188 peak=555 ppm1=9.316 ppm2=9.123

assign ( resid  43  and name H  )   ( resid  56  and name HA   ) 3.4 1.6 1.7 volume=2167926.812 peak=556 ppm1=9.377 ppm2=5.353

assign ( resid  43  and name H  )   ( resid  55  and name HB3   ) 5.0 2.5 1.0 volume=202302.500 peak=557 ppm1=9.383 ppm2=2.126

assign ( resid  43  and name H  )   ( resid  55  and name HB2   ) 3.7 1.8 1.8 volume=1250929.938 peak=558 ppm1=9.376 ppm2=1.957

assign ( resid  44  and name H  )   ( resid  43  and name HG3   ) 4.7 2.4 1.3 volume=288491.438 peak=559 ppm1=8.506 ppm2=1.381

assign ( resid  44  and name H  )   ( resid  43  and name HB2   ) 3.2 1.5 1.6 volume=2695737.438 peak=560 ppm1=8.499 ppm2=1.907

assign ( resid  44  and name H  )   ( resid  8  and name HA2   ) 6.0 3.0 0.0 volume=9939.688 peak=561 ppm1=8.520 ppm2=3.763

assign ( resid  44  and name H  )   ( resid  8  and name HA3   ) 3.7 1.8 1.8 volume=1302477.812 peak=562 ppm1=8.508 ppm2=4.693

assign ( resid  44  and name H  )   ( resid  9  and name H   ) 3.6 1.8 1.8 volume=1415421.000 peak=563 ppm1=8.508 ppm2=8.650

assign ( resid  45  and name H  )   ( resid  53  and name H   ) 2.4 0.7 1.2 volume=17209133.438 peak=564 ppm1=9.137 ppm2=9.198

assign ( resid  45  and name H  )   ( resid  54  and name HA   ) 2.8 1.1 1.4 volume=6043937.500 peak=565 ppm1=9.141 ppm2=5.067

assign ( resid  45  and name H  )   ( resid  45  and name HA   ) 2.9 1.2 1.5 volume=4941789.062 peak=566 ppm1=9.136 ppm2=4.925

assign ( resid  45  and name H  )   ( resid  53  and name HB3   ) 5.1 2.6 0.9 volume=178658.188 peak=567 ppm1=9.131 ppm2=2.049

assign ( resid  45  and name H  )   ( resid  44  and name HB   ) 5.3 2.7 0.7 volume=141346.562 peak=568 ppm1=9.143 ppm2=1.885

assign ( resid  45  and name H  )   ( resid  53  and name HB2   ) 4.0 2.0 2.0 volume=818755.812 peak=569 ppm1=9.141 ppm2=1.777

assign ( resid  45  and name H  )   ( resid  54  and name HG2#   ) 3.2 1.5 1.6 volume=2969417.562 peak=570 ppm1=9.139 ppm2=0.778

assign ( resid  46  and name H  )   ( resid  45  and name HB2   ) 4.3 2.2 1.7 volume=478194.812 peak=571 ppm1=8.280 ppm2=1.647

assign ( resid  46  and name H  )   ( resid  45  and name HB3   ) 4.7 2.4 1.3 volume=277385.625 peak=572 ppm1=8.278 ppm2=1.705

assign ( resid  46  and name H  )   ( resid  46  and name HB   ) 3.6 1.8 1.8 volume=1395874.625 peak=573 ppm1=8.272 ppm2=4.143

assign ( resid  46  and name H  )   ( resid  46  and name HA   ) 3.7 1.9 1.9 volume=1190266.812 peak=574 ppm1=8.270 ppm2=4.807

assign ( resid  50  and name H  )   ( resid  49  and name HB3   ) 4.4 2.2 1.6 volume=417975.062 peak=575 ppm1=7.648 ppm2=2.951

assign ( resid  50  and name H  )   ( resid  49  and name HA   ) 2.8 1.1 1.4 volume=6951371.062 peak=576 ppm1=7.654 ppm2=4.774

assign ( resid  51  and name H  )   ( resid  49  and name HA   ) 2.7 1.0 1.4 volume=7961573.625 peak=577 ppm1=7.869 ppm2=4.770

assign ( resid  51  and name H  )   ( resid  50  and name HB2   ) 3.9 1.9 1.9 volume=910451.125 peak=578 ppm1=7.879 ppm2=3.697

assign ( resid  52  and name H  )   ( resid  46  and name HB   ) 3.2 1.5 1.6 volume=2923764.750 peak=579 ppm1=8.054 ppm2=4.148

assign ( resid  52  and name H  )   ( resid  72  and name HA   ) 2.8 1.1 1.4 volume=6119745.625 peak=580 ppm1=8.050 ppm2=4.642

assign ( resid  53  and name H  )   ( resid  45  and name H   ) 2.7 0.9 1.3 volume=8840190.625 peak=581 ppm1=9.181 ppm2=9.126

assign ( resid  53  and name H  )   ( resid  45  and name HB3   ) 3.9 2.0 2.0 volume=848474.125 peak=582 ppm1=9.174 ppm2=1.718

assign ( resid  53  and name H  )   ( resid  45  and name HB2   ) 4.3 2.1 1.7 volume=525619.125 peak=583 ppm1=9.182 ppm2=1.668

assign ( resid  54  and name H  )   ( resid  69  and name H   ) 3.6 1.8 1.8 volume=1370066.812 peak=584 ppm1=9.004 ppm2=8.897

assign ( resid  55  and name H  )   ( resid  56  and name H   ) 2.4 0.6 1.2 volume=17992608.438 peak=585 ppm1=9.047 ppm2=8.973

assign ( resid  55  and name H  )   ( resid  44  and name HA   ) 2.8 1.1 1.4 volume=6734960.562 peak=586 ppm1=9.048 ppm2=5.015

assign ( resid  55  and name H  )   ( resid  43  and name HB2   ) 4.0 2.0 2.0 volume=817581.500 peak=587 ppm1=9.042 ppm2=1.911

assign ( resid  55  and name H  )   ( resid  56  and name HG2#   ) 3.4 1.7 1.7 volume=1986224.938 peak=588 ppm1=9.045 ppm2=0.876

assign ( resid  55  and name H  )   ( resid  42  and name HG2#   ) 3.4 1.7 1.7 volume=1986224.938 peak=589 ppm1=9.045 ppm2=0.858

assign ( resid  56  and name H  )   ( resid  55  and name HB2   ) 3.4 1.7 1.7 volume=2050129.312 peak=590 ppm1=8.995 ppm2=1.957

assign ( resid  56  and name H  )   ( resid  56  and name HA   ) 3.4 1.7 1.7 volume=2154788.750 peak=591 ppm1=8.994 ppm2=5.336

assign ( resid  56  and name H  )   ( resid  67  and name H   ) 3.0 1.3 1.5 volume=4397787.375 peak=592 ppm1=8.994 ppm2=8.857

assign ( resid  56  and name H  )   ( resid  55  and name H   ) 2.4 0.7 1.2 volume=16184636.375 peak=593 ppm1=8.994 ppm2=9.077

assign ( resid  57  and name H  )   ( resid  57  and name HA   ) 2.9 1.2 1.5 volume=4971881.375 peak=594 ppm1=8.858 ppm2=5.277

assign ( resid  57  and name H  )   ( resid  42  and name HA   ) 4.1 2.1 1.9 volume=637003.875 peak=595 ppm1=8.857 ppm2=5.120

assign ( resid  57  and name H  )   ( resid  41  and name HB2   ) 6.0 3.0 0.0 volume=48302.875 peak=596 ppm1=8.864 ppm2=3.277

assign ( resid  57  and name H  )   ( resid  41  and name HB3   ) 5.1 2.6 0.9 volume=170393.000 peak=597 ppm1=8.862 ppm2=3.062

assign ( resid  57  and name H  )   ( resid  42  and name HG1#   ) 3.9 2.0 2.0 volume=866776.562 peak=598 ppm1=8.858 ppm2=1.013

assign ( resid  57  and name H  )   ( resid  57  and name HG1   ) 4.3 2.1 1.7 volume=507285.312 peak=599 ppm1=8.854 ppm2=1.092

assign ( resid  57  and name H  )   ( resid  42  and name HG2#   ) 3.3 1.6 1.7 volume=2394893.625 peak=600 ppm1=8.856 ppm2=0.855

assign ( resid  60  and name H  )   ( resid  65  and name H   ) 4.4 2.2 1.6 volume=425173.188 peak=601 ppm1=8.488 ppm2=8.300

assign ( resid  60  and name H  )   ( resid  64  and name HA   ) 2.6 0.9 1.3 volume=9848711.125 peak=602 ppm1=8.497 ppm2=4.683

assign ( resid  60  and name H  )   ( resid  60  and name HA   ) 2.7 1.0 1.4 volume=7351730.688 peak=603 ppm1=8.491 ppm2=4.642

assign ( resid  60  and name H  )   ( resid  60  and name HB3   ) 4.3 2.1 1.7 volume=503886.688 peak=604 ppm1=8.490 ppm2=1.556

assign ( resid  61  and name H  )   ( resid  60  and name HB2   ) 3.0 1.3 1.5 volume=4599750.500 peak=605 ppm1=8.123 ppm2=1.803

assign ( resid  61  and name H  )   ( resid  60  and name HA   ) 2.6 0.9 1.3 volume=10117482.000 peak=606 ppm1=8.120 ppm2=4.665

assign ( resid  63  and name H  )   ( resid  62  and name HA   ) 2.9 1.2 1.4 volume=5644816.938 peak=607 ppm1=7.157 ppm2=4.724

assign ( resid  63  and name H  )   ( resid  60  and name HB2   ) 3.4 1.6 1.7 volume=2203017.000 peak=608 ppm1=7.159 ppm2=1.801

assign ( resid  63  and name H  )   ( resid  60  and name HB3   ) 6.0 3.0 0.0 volume=30413.000 peak=609 ppm1=7.160 ppm2=1.558

assign ( resid  64  and name H  )   ( resid  63  and name HG1#   ) 5.0 2.5 1.0 volume=195079.188 peak=610 ppm1=8.393 ppm2=0.420

assign ( resid  64  and name H  )   ( resid  64  and name HG2#   ) 4.8 2.4 1.2 volume=271786.688 peak=611 ppm1=8.384 ppm2=0.943

assign ( resid  65  and name H  )   ( resid  60  and name H   ) 4.1 2.0 1.9 volume=696944.438 peak=612 ppm1=8.272 ppm2=8.489

assign ( resid  65  and name H  )   ( resid  65  and name HA   ) 3.6 1.8 1.8 volume=1436509.062 peak=613 ppm1=8.276 ppm2=4.584

assign ( resid  65  and name H  )   ( resid  59  and name HA   ) 3.0 1.3 1.5 volume=4470006.125 peak=614 ppm1=8.275 ppm2=4.725

assign ( resid  65  and name H  )   ( resid  58  and name HB   ) 3.6 1.8 1.8 volume=1487416.188 peak=615 ppm1=8.273 ppm2=1.896

assign ( resid  65  and name H  )   ( resid  65  and name HG   ) 3.3 1.6 1.7 volume=2416432.875 peak=616 ppm1=8.273 ppm2=1.846

assign ( resid  65  and name H  )   ( resid  65  and name HD2#   ) 3.9 2.0 2.0 volume=846436.812 peak=617 ppm1=8.274 ppm2=0.754

assign ( resid  66  and name H  )   ( resid  81  and name HD1#   ) 3.7 1.9 1.9 volume=1142979.938 peak=618 ppm1=8.642 ppm2=0.735

assign ( resid  66  and name H  )   ( resid  65  and name HD2#   ) 4.1 2.0 1.9 volume=681841.062 peak=619 ppm1=8.638 ppm2=0.763

assign ( resid  66  and name H  )   ( resid  56  and name HG2#   ) 4.5 2.2 1.5 volume=387610.500 peak=620 ppm1=8.659 ppm2=0.877

assign ( resid  66  and name H  )   ( resid  65  and name HB3   ) 3.8 1.9 1.9 volume=1109550.625 peak=621 ppm1=8.647 ppm2=1.788

assign ( resid  66  and name H  )   ( resid  65  and name HG   ) 4.5 2.3 1.5 volume=378248.500 peak=622 ppm1=8.638 ppm2=1.853

assign ( resid  67  and name H  )   ( resid  56  and name H   ) 2.7 0.9 1.3 volume=8770359.438 peak=623 ppm1=8.865 ppm2=8.985

assign ( resid  67  and name H  )   ( resid  66  and name HG2   ) 3.8 1.9 1.9 volume=1096015.562 peak=624 ppm1=8.857 ppm2=1.458

assign ( resid  67  and name H  )   ( resid  81  and name HD1#   ) 4.3 2.1 1.7 volume=535267.375 peak=625 ppm1=8.862 ppm2=0.741

assign ( resid  69  and name H  )   ( resid  68  and name H   ) 6.0 3.0 0.0 volume=63309.000 peak=626 ppm1=8.894 ppm2=8.547

assign ( resid  69  and name H  )   ( resid  54  and name H   ) 2.9 1.2 1.5 volume=5117830.562 peak=627 ppm1=8.888 ppm2=9.013

assign ( resid  69  and name H  )   ( resid  67  and name HB#   ) 5.9 3.0 0.1 volume=73301.875 peak=628 ppm1=8.907 ppm2=1.366

assign ( resid  70  and name H  )   ( resid  70  and name HB3   ) 3.1 1.4 1.5 volume=3732901.375 peak=629 ppm1=8.548 ppm2=1.606

assign ( resid  70  and name H  )   ( resid  71  and name H   ) 5.8 2.9 0.2 volume=80524.125 peak=630 ppm1=8.560 ppm2=9.051

assign ( resid  71  and name H  )   ( resid  53  and name HA   ) 3.4 1.7 1.7 volume=2099415.000 peak=631 ppm1=9.050 ppm2=5.174

assign ( resid  72  and name H  )   ( resid  71  and name HA   ) 2.6 0.9 1.3 volume=9844784.250 peak=632 ppm1=8.731 ppm2=4.609

assign ( resid  72  and name H  )   ( resid  72  and name HA   ) 2.5 0.8 1.2 volume=13394404.938 peak=633 ppm1=8.727 ppm2=4.639

assign ( resid  73  and name H  )   ( resid  72  and name HB2   ) 4.4 2.2 1.6 volume=458170.625 peak=634 ppm1=9.134 ppm2=2.765

assign ( resid  73  and name H  )   ( resid  71  and name HB2   ) 2.9 1.2 1.4 volume=5456942.312 peak=635 ppm1=9.138 ppm2=2.565

assign ( resid  73  and name H  )   ( resid  72  and name HB3   ) 2.9 1.2 1.4 volume=5420501.625 peak=636 ppm1=9.139 ppm2=2.525

assign ( resid  73  and name H  )   ( resid  71  and name HB3   ) 2.9 1.2 1.4 volume=5536003.875 peak=637 ppm1=9.140 ppm2=2.510

assign ( resid  74  and name H  )   ( resid  73  and name HB2   ) 5.4 2.7 0.6 volume=134365.000 peak=638 ppm1=8.507 ppm2=2.504

assign ( resid  74  and name H  )   ( resid  73  and name HB3   ) 6.0 3.0 0.0 volume=49040.125 peak=639 ppm1=8.499 ppm2=2.925

assign ( resid  75  and name H  )   ( resid  74  and name H   ) 3.5 1.8 1.8 volume=1651227.500 peak=640 ppm1=7.472 ppm2=8.523

assign ( resid  75  and name H  )   ( resid  73  and name HA   ) 6.0 3.0 0.0 volume=69063.812 peak=641 ppm1=7.467 ppm2=4.795

assign ( resid  75  and name H  )   ( resid  74  and name HA   ) 3.5 1.8 1.8 volume=1651953.562 peak=642 ppm1=7.471 ppm2=3.833

assign ( resid  75  and name H  )   ( resid  73  and name HB3   ) 3.1 1.4 1.5 volume=3772848.188 peak=643 ppm1=7.467 ppm2=2.902

assign ( resid  75  and name H  )   ( resid  73  and name HB2   ) 4.1 2.1 1.9 volume=656616.188 peak=644 ppm1=7.464 ppm2=2.508

assign ( resid  75  and name H  )   ( resid  76  and name HB#   ) 3.7 1.9 1.9 volume=1146441.500 peak=645 ppm1=7.466 ppm2=1.440

assign ( resid  75  and name H  )   ( resid  74  and name HD2#   ) 5.4 2.7 0.6 volume=130620.812 peak=646 ppm1=7.468 ppm2=0.725

assign ( resid  76  and name H  )   ( resid  73  and name HB2   ) 4.0 2.0 2.0 volume=769165.188 peak=647 ppm1=7.604 ppm2=2.504

assign ( resid  76  and name H  )   ( resid  75  and name HB2   ) 3.2 1.5 1.6 volume=2751681.000 peak=648 ppm1=7.600 ppm2=2.901

assign ( resid  76  and name H  )   ( resid  78  and name H   ) 3.4 1.7 1.7 volume=2006443.750 peak=649 ppm1=7.604 ppm2=8.429

assign ( resid  77  and name H  )   ( resid  78  and name H   ) 2.7 1.0 1.3 volume=8697684.125 peak=650 ppm1=8.496 ppm2=8.396

assign ( resid  77  and name H  )   ( resid  71  and name HB3   ) 4.3 2.2 1.7 volume=500589.188 peak=651 ppm1=8.491 ppm2=2.513

assign ( resid  78  and name H  )   ( resid  74  and name HD2#   ) 3.5 1.7 1.7 volume=1819821.250 peak=652 ppm1=8.408 ppm2=0.725

assign ( resid  78  and name H  )   ( resid  54  and name HG2#   ) 3.5 1.7 1.7 volume=1753169.812 peak=653 ppm1=8.407 ppm2=0.791

assign ( resid  78  and name H  )   ( resid  77  and name HA3   ) 3.0 1.3 1.5 volume=4258188.000 peak=654 ppm1=8.410 ppm2=3.644

assign ( resid  78  and name H  )   ( resid  75  and name HA   ) 3.0 1.3 1.5 volume=4573171.562 peak=655 ppm1=8.410 ppm2=3.738

assign ( resid  78  and name H  )   ( resid  74  and name HA   ) 4.3 2.1 1.7 volume=537393.188 peak=656 ppm1=8.407 ppm2=3.804

assign ( resid  78  and name H  )   ( resid  77  and name H   ) 2.3 0.6 1.2 volume=19768241.312 peak=657 ppm1=8.411 ppm2=8.487

assign ( resid  79  and name H  )   ( resid  77  and name H   ) 2.2 0.5 1.1 volume=25895079.500 peak=658 ppm1=8.438 ppm2=8.487

assign ( resid  79  and name H  )   ( resid  78  and name H   ) 2.1 0.3 1.0 volume=41579190.625 peak=659 ppm1=8.435 ppm2=8.402

assign ( resid  79  and name H  )   ( resid  75  and name HA   ) 3.8 1.9 1.9 volume=1014856.938 peak=660 ppm1=8.437 ppm2=3.737

assign ( resid  79  and name H  )   ( resid  78  and name HA   ) 3.6 1.8 1.8 volume=1367712.938 peak=661 ppm1=8.436 ppm2=3.682

assign ( resid  79  and name H  )   ( resid  78  and name HB   ) 3.4 1.7 1.7 volume=2007220.438 peak=662 ppm1=8.439 ppm2=2.324

assign ( resid  80  and name H  )   ( resid  80  and name HB3   ) 2.9 1.2 1.5 volume=5125640.000 peak=663 ppm1=8.120 ppm2=1.956

assign ( resid  80  and name H  )   ( resid  77  and name HA3   ) 4.3 2.2 1.7 volume=469711.938 peak=664 ppm1=8.119 ppm2=3.644

assign ( resid  80  and name H  )   ( resid  76  and name HA   ) 3.3 1.6 1.6 volume=2473625.625 peak=665 ppm1=8.121 ppm2=4.146

assign ( resid  80  and name H  )   ( resid  79  and name HA   ) 4.5 2.3 1.5 volume=375209.625 peak=666 ppm1=8.118 ppm2=4.327

assign ( resid  80  and name H  )   ( resid  82  and name H   ) 4.1 2.0 1.9 volume=676925.562 peak=667 ppm1=8.119 ppm2=8.675

assign ( resid  81  and name H  )   ( resid  82  and name H   ) 2.8 1.0 1.4 volume=7046135.062 peak=668 ppm1=8.594 ppm2=8.684

assign ( resid  81  and name H  )   ( resid  78  and name HA   ) 3.4 1.7 1.7 volume=2150177.688 peak=669 ppm1=8.604 ppm2=3.696

assign ( resid  81  and name H  )   ( resid  77  and name HA3   ) 3.4 1.7 1.7 volume=1987830.375 peak=670 ppm1=8.604 ppm2=3.640

assign ( resid  81  and name H  )   ( resid  56  and name HG1#   ) 3.9 2.0 2.0 volume=864140.625 peak=671 ppm1=8.603 ppm2=1.008

assign ( resid  81  and name H  )   ( resid  56  and name HG2#   ) 3.7 1.8 1.8 volume=1247898.062 peak=672 ppm1=8.610 ppm2=0.879

assign ( resid  85  and name H  )   ( resid  81  and name HD1#   ) 3.9 1.9 1.9 volume=969200.188 peak=673 ppm1=8.700 ppm2=0.744

assign ( resid  85  and name H  )   ( resid  65  and name HD2#   ) 3.9 1.9 1.9 volume=969200.188 peak=674 ppm1=8.700 ppm2=0.763

assign ( resid  82  and name H  )   ( resid  81  and name HB   ) 2.7 1.0 1.4 volume=7781954.562 peak=675 ppm1=8.679 ppm2=2.167

assign ( resid  82  and name H  )   ( resid  81  and name HA   ) 3.5 1.8 1.8 volume=1623910.438 peak=676 ppm1=8.683 ppm2=3.669

assign ( resid  82  and name H  )   ( resid  78  and name HA   ) 3.4 1.7 1.7 volume=2031528.375 peak=677 ppm1=8.682 ppm2=3.683

assign ( resid  82  and name H  )   ( resid  83  and name H   ) 3.4 1.7 1.7 volume=1908289.688 peak=678 ppm1=8.684 ppm2=7.610

assign ( resid  82  and name H  )   ( resid  81  and name H   ) 2.4 0.7 1.2 volume=17637360.500 peak=679 ppm1=8.682 ppm2=8.591

assign ( resid  83  and name H  )   ( resid  85  and name H   ) 3.3 1.5 1.6 volume=2624090.250 peak=680 ppm1=7.612 ppm2=8.701

assign ( resid  83  and name H  )   ( resid  82  and name HB3   ) 2.7 1.0 1.3 volume=8209649.875 peak=681 ppm1=7.612 ppm2=3.035

assign ( resid  83  and name H  )   ( resid  83  and name HB3   ) 3.1 1.3 1.5 volume=3832263.438 peak=682 ppm1=7.609 ppm2=2.941

assign ( resid  84  and name H  )   ( resid  83  and name HB3   ) 3.4 1.6 1.7 volume=2196371.125 peak=683 ppm1=7.866 ppm2=2.944

assign ( resid  85  and name H  )   ( resid  86  and name H   ) 2.4 0.6 1.2 volume=18440037.875 peak=684 ppm1=8.707 ppm2=8.658

assign ( resid  85  and name H  )   ( resid  87  and name H   ) 4.5 2.3 1.5 volume=374864.938 peak=685 ppm1=8.701 ppm2=7.644

assign ( resid  85  and name H  )   ( resid  83  and name H   ) 4.6 2.3 1.4 volume=321064.625 peak=686 ppm1=8.701 ppm2=7.610

assign ( resid  85  and name H  )   ( resid  82  and name HA   ) 3.8 1.9 1.9 volume=1012017.625 peak=687 ppm1=8.701 ppm2=4.317

assign ( resid  85  and name H  )   ( resid  84  and name HA   ) 3.8 1.9 1.9 volume=1061236.875 peak=688 ppm1=8.704 ppm2=4.037

assign ( resid  85  and name H  )   ( resid  84  and name HB3   ) 3.3 1.6 1.7 volume=2327745.000 peak=689 ppm1=8.691 ppm2=2.044

assign ( resid  86  and name H  )   ( resid  83  and name HA   ) 5.5 2.8 0.5 volume=113740.250 peak=690 ppm1=8.668 ppm2=4.490

assign ( resid  87  and name H  )   ( resid  85  and name H   ) 3.4 1.6 1.7 volume=2173432.562 peak=691 ppm1=7.643 ppm2=8.703

assign ( resid  87  and name H  )   ( resid  88  and name H   ) 2.4 0.7 1.2 volume=14984208.625 peak=692 ppm1=7.651 ppm2=7.767

assign ( resid  87  and name H  )   ( resid  84  and name HA   ) 3.7 1.9 1.9 volume=1215087.000 peak=693 ppm1=7.647 ppm2=4.033

assign ( resid  87  and name H  )   ( resid  86  and name HA   ) 6.0 3.0 0.0 volume=36744.625 peak=694 ppm1=7.647 ppm2=3.671

assign ( resid  87  and name H  )   ( resid  86  and name HB3   ) 3.1 1.4 1.6 volume=3519021.812 peak=695 ppm1=7.644 ppm2=2.113

assign ( resid  88  and name H  )   ( resid  89  and name HB   ) 3.2 1.4 1.6 volume=3182777.812 peak=696 ppm1=7.794 ppm2=2.025

assign ( resid  88  and name H  )   ( resid  87  and name HA   ) 3.5 1.8 1.8 volume=1638078.125 peak=697 ppm1=7.796 ppm2=3.927

assign ( resid  88  and name H  )   ( resid  85  and name HA   ) 3.0 1.3 1.5 volume=4004988.812 peak=698 ppm1=7.795 ppm2=3.975

assign ( resid  88  and name H  )   ( resid  90  and name H   ) 2.1 0.4 1.1 volume=32358911.938 peak=699 ppm1=7.795 ppm2=7.837

assign ( resid  89  and name H  )   ( resid  88  and name H   ) 3.2 1.5 1.6 volume=2961413.312 peak=700 ppm1=8.561 ppm2=7.769

assign ( resid  89  and name H  )   ( resid  85  and name HA   ) 4.7 2.3 1.3 volume=301777.625 peak=701 ppm1=8.562 ppm2=3.973

assign ( resid  89  and name H  )   ( resid  86  and name HA   ) 4.3 2.2 1.7 volume=477323.312 peak=702 ppm1=8.564 ppm2=3.675

assign ( resid  89  and name H  )   ( resid  65  and name HD2#   ) 4.1 2.0 1.9 volume=676832.750 peak=703 ppm1=8.564 ppm2=0.759

assign ( resid  89  and name H  )   ( resid  63  and name HG2#   ) 3.7 1.8 1.8 volume=1285854.875 peak=704 ppm1=8.558 ppm2=0.644

assign ( resid  90  and name H  )   ( resid  90  and name HB3   ) 3.0 1.3 1.5 volume=4553362.938 peak=705 ppm1=7.814 ppm2=1.834

assign ( resid  90  and name H  )   ( resid  86  and name HA   ) 5.3 2.6 0.7 volume=143418.062 peak=706 ppm1=7.820 ppm2=3.669

assign ( resid  90  and name H  )   ( resid  89  and name HA   ) 3.9 2.0 2.0 volume=848759.625 peak=707 ppm1=7.817 ppm2=3.786

assign ( resid  90  and name H  )   ( resid  87  and name HA   ) 3.5 1.7 1.7 volume=1734864.625 peak=708 ppm1=7.820 ppm2=3.936

assign ( resid  90  and name H  )   ( resid  88  and name H   ) 2.4 0.7 1.2 volume=16910597.875 peak=709 ppm1=7.819 ppm2=7.763

assign ( resid  91  and name H  )   ( resid  90  and name H   ) 2.6 0.9 1.3 volume=10320153.375 peak=710 ppm1=7.665 ppm2=7.810

assign ( resid  91  and name H  )   ( resid  88  and name HA   ) 3.4 1.6 1.7 volume=2227812.375 peak=711 ppm1=7.660 ppm2=4.018

assign ( resid  91  and name H  )   ( resid  90  and name HB3   ) 2.7 1.0 1.3 volume=8350845.625 peak=712 ppm1=7.662 ppm2=1.831

assign ( resid  92  and name H  )   ( resid  91  and name HB2   ) 3.1 1.4 1.5 volume=3758289.312 peak=713 ppm1=7.839 ppm2=1.804

assign ( resid  92  and name H  )   ( resid  89  and name HA   ) 4.5 2.2 1.5 volume=396221.188 peak=714 ppm1=7.850 ppm2=3.792

assign ( resid  92  and name H  )   ( resid  88  and name HA   ) 3.8 1.9 1.9 volume=1135775.375 peak=715 ppm1=7.847 ppm2=4.017

assign ( resid  92  and name H  )   ( resid  91  and name HA   ) 3.4 1.7 1.7 volume=1938397.250 peak=716 ppm1=7.849 ppm2=4.066

assign ( resid  93  and name H  )   ( resid  94  and name H   ) 3.5 1.8 1.8 volume=1652098.812 peak=717 ppm1=8.080 ppm2=7.933

assign ( resid  93  and name H  )   ( resid  90  and name HA   ) 5.0 2.5 1.0 volume=213460.688 peak=718 ppm1=8.078 ppm2=3.865

assign ( resid  93  and name H  )   ( resid  93  and name HB2   ) 2.9 1.1 1.4 volume=5740168.312 peak=719 ppm1=8.079 ppm2=1.990

assign ( resid  94  and name H  )   ( resid  95  and name H   ) 3.0 1.3 1.5 volume=4211343.750 peak=720 ppm1=7.947 ppm2=7.876

assign ( resid  94  and name H  )   ( resid  93  and name H   ) 4.0 2.0 2.0 volume=792248.375 peak=721 ppm1=7.945 ppm2=8.067

assign ( resid  96  and name H  )   ( resid  98  and name H   ) 3.9 2.0 2.0 volume=893122.000 peak=722 ppm1=7.858 ppm2=8.092

assign ( resid  96  and name H  )   ( resid  92  and name HA   ) 3.9 1.9 1.9 volume=945954.125 peak=723 ppm1=7.865 ppm2=4.510

assign ( resid  96  and name H  )   ( resid  95  and name HA   ) 3.4 1.7 1.7 volume=2150874.000 peak=724 ppm1=7.867 ppm2=4.282

assign ( resid  96  and name H  )   ( resid  93  and name HA   ) 3.1 1.4 1.5 volume=3660126.875 peak=725 ppm1=7.864 ppm2=4.030

assign ( resid  96  and name H  )   ( resid  95  and name HB3   ) 2.8 1.1 1.4 volume=6643747.625 peak=726 ppm1=7.867 ppm2=1.876

assign ( resid  97  and name H  )   ( resid  96  and name HB   ) 4.1 2.0 1.9 volume=681427.125 peak=727 ppm1=8.178 ppm2=1.837

assign ( resid  97  and name H  )   ( resid  97  and name HB2   ) 5.7 2.9 0.3 volume=88788.625 peak=728 ppm1=8.176 ppm2=2.779

assign ( resid  97  and name H  )   ( resid  93  and name HA   ) 4.6 2.3 1.4 volume=320853.562 peak=729 ppm1=8.179 ppm2=4.027

assign ( resid  97  and name H  )   ( resid  96  and name HA   ) 4.6 2.3 1.4 volume=326043.875 peak=730 ppm1=8.178 ppm2=4.058

assign ( resid  97  and name H  )   ( resid  94  and name HA   ) 4.5 2.3 1.5 volume=361321.312 peak=731 ppm1=8.180 ppm2=4.283

assign ( resid  97  and name H  )   ( resid  97  and name HA   ) 2.4 0.7 1.2 volume=17214150.688 peak=732 ppm1=8.179 ppm2=4.709

assign ( resid  97  and name H  )   ( resid  98  and name H   ) 3.7 1.8 1.8 volume=1324050.062 peak=733 ppm1=8.178 ppm2=8.098

assign ( resid  98  and name H  )   ( resid  99  and name H   ) 4.2 2.1 1.8 volume=604267.688 peak=734 ppm1=8.097 ppm2=8.310

assign ( resid  98  and name H  )   ( resid  100  and name H   ) 3.3 1.6 1.7 volume=2246729.312 peak=735 ppm1=8.096 ppm2=8.218

assign ( resid  98  and name H  )   ( resid  97  and name HA   ) 2.6 0.9 1.3 volume=10529542.062 peak=736 ppm1=8.097 ppm2=4.709

assign ( resid  98  and name H  )   ( resid  95  and name HA   ) 4.4 2.2 1.6 volume=434749.250 peak=737 ppm1=8.096 ppm2=4.279

assign ( resid  98  and name H  )   ( resid  98  and name HB3   ) 3.7 1.8 1.8 volume=1310895.750 peak=738 ppm1=8.102 ppm2=1.962

assign ( resid  99  and name H  )   ( resid  99  and name HB3   ) 3.7 1.8 1.8 volume=1338387.562 peak=739 ppm1=8.310 ppm2=1.867

assign ( resid  99  and name H  )   ( resid  98  and name HB3   ) 4.1 2.0 1.9 volume=718811.938 peak=740 ppm1=8.309 ppm2=1.963

assign ( resid  99  and name H  )   ( resid  95  and name HA   ) 3.2 1.4 1.6 volume=3205551.000 peak=741 ppm1=8.308 ppm2=4.279

assign ( resid  99  and name H  )   ( resid  98  and name HA   ) 3.2 1.4 1.6 volume=3205551.000 peak=742 ppm1=8.310 ppm2=4.288

assign ( resid  99  and name H  )   ( resid  100  and name H   ) 2.9 1.2 1.5 volume=4831409.188 peak=743 ppm1=8.310 ppm2=8.222

assign ( resid  100  and name H  )   ( resid  102  and name H   ) 3.9 1.9 1.9 volume=951322.688 peak=744 ppm1=8.219 ppm2=8.291

assign ( resid  100  and name H  )   ( resid  97  and name HA   ) 2.9 1.2 1.4 volume=5464069.250 peak=745 ppm1=8.215 ppm2=4.710

assign ( resid  102  and name H  )   ( resid  99  and name HA   ) 3.4 1.7 1.7 volume=1995749.438 peak=746 ppm1=8.304 ppm2=4.325

assign ( resid  102  and name H  )   ( resid  101  and name HA   ) 3.7 1.8 1.8 volume=1310506.500 peak=747 ppm1=8.298 ppm2=4.339

assign ( resid  103  and name H  )   ( resid  103  and name HB3   ) 4.1 2.1 1.9 volume=650640.625 peak=748 ppm1=8.257 ppm2=1.789

assign ( resid  103  and name H  )   ( resid  103  and name HB2   ) 4.2 2.1 1.8 volume=563921.125 peak=749 ppm1=8.258 ppm2=1.899

assign ( resid  103  and name H  )   ( resid  102  and name HA   ) 3.4 1.7 1.7 volume=2054520.438 peak=750 ppm1=8.258 ppm2=4.584

assign ( resid  103  and name H  )   ( resid  105  and name H   ) 2.7 0.9 1.3 volume=8846629.250 peak=751 ppm1=8.259 ppm2=8.213

assign ( resid  104  and name H  )   ( resid  103  and name HA   ) 4.5 2.3 1.5 volume=378822.688 peak=752 ppm1=8.444 ppm2=4.326

assign ( resid  104  and name H  )   ( resid  102  and name HA   ) 2.8 1.1 1.4 volume=6553469.562 peak=753 ppm1=8.444 ppm2=4.587

assign ( resid  105  and name H  )   ( resid  105  and name HB3   ) 4.2 2.1 1.8 volume=552039.750 peak=754 ppm1=8.220 ppm2=2.680

assign ( resid  105  and name H  )   ( resid  104  and name HA3   ) 4.1 2.0 1.9 volume=687768.875 peak=755 ppm1=8.210 ppm2=3.961

assign ( resid  105  and name H  )   ( resid  105  and name HA   ) 3.2 1.5 1.6 volume=3098294.188 peak=756 ppm1=8.213 ppm2=4.584

assign ( resid  105  and name H  )   ( resid  106  and name H   ) 2.6 0.8 1.3 volume=11284150.000 peak=757 ppm1=8.217 ppm2=8.257

assign ( resid  106  and name H  )   ( resid  106  and name HA   ) 4.2 2.1 1.8 volume=558773.438 peak=758 ppm1=8.239 ppm2=4.299

assign ( resid  106  and name H  )   ( resid  106  and name HB2   ) 4.2 2.1 1.8 volume=607122.000 peak=759 ppm1=8.245 ppm2=1.981

assign ( resid  107  and name H  )   ( resid  107  and name HA   ) 3.5 1.7 1.7 volume=1736515.688 peak=760 ppm1=8.309 ppm2=4.230

assign ( resid  107  and name H  )   ( resid  106  and name H   ) 2.4 0.7 1.2 volume=15307469.750 peak=761 ppm1=8.312 ppm2=8.254

assign ( resid  109  and name H  )   ( resid  108  and name H   ) 4.3 2.2 1.7 volume=486749.438 peak=762 ppm1=8.212 ppm2=7.960

assign ( resid  71  and name HB2  )   ( resid  77  and name HA3   ) 3.5 1.8 1.8 volume=735514.250 peak=763 ppm1=2.569 ppm2=3.646

assign ( resid  13  and name HD1#  )   ( resid  13  and name HG2#   ) 2.3 0.6 1.1 volume=14729779.000 peak=764 ppm1=0.505 ppm2=0.761

assign ( resid  2  and name HA  )   ( resid  2  and name HG2#   ) 2.8 1.1 1.4 volume=1831465.250 peak=765 ppm1=4.325 ppm2=0.210

assign ( resid  21  and name HA  )   ( resid  21  and name H   ) 3.8 1.9 1.9 volume=103385.500 peak=766 ppm1=3.270 ppm2=8.148

assign ( resid  65  and name HB3  )   ( resid  65  and name H   ) 3.7 1.9 1.9 volume=937426.750 peak=767 ppm1=1.793 ppm2=8.275

assign ( resid  65  and name HB2  )   ( resid  66  and name H   ) 3.9 2.0 2.0 volume=502844.625 peak=768 ppm1=1.372 ppm2=8.653

assign ( resid  59  and name HB2  )   ( resid  59  and name HA   ) 3.1 1.4 1.5 volume=2064518.625 peak=769 ppm1=2.230 ppm2=4.718

assign ( resid  44  and name HA  )   ( resid  44  and name HB   ) 3.7 1.8 1.8 volume=1180796.938 peak=770 ppm1=5.010 ppm2=1.886

assign ( resid  80  and name HB2  )   ( resid  80  and name HB3   ) 2.7 1.0 1.3 volume=5334494.000 peak=771 ppm1=1.537 ppm2=1.963

assign ( resid  64  and name HA  )   ( resid  64  and name HB   ) 3.6 1.8 1.8 volume=1386358.625 peak=772 ppm1=4.687 ppm2=3.879

assign ( resid  75  and name HA  )   ( resid  75  and name HB2   ) 3.3 1.6 1.7 volume=1116157.625 peak=773 ppm1=3.736 ppm2=2.906

assign ( resid  18  and name HA  )   ( resid  19  and name H   ) 3.8 1.9 1.9 volume=791427.500 peak=774 ppm1=3.560 ppm2=8.619

assign ( resid  4  and name HA  )   ( resid  5  and name H   ) 2.9 1.2 1.5 volume=3094496.875 peak=775 ppm1=4.939 ppm2=8.789

assign ( resid  94  and name HB  )   ( resid  94  and name HG1   ) 2.8 1.1 1.4 volume=4118332.375 peak=776 ppm1=4.323 ppm2=1.290

assign ( resid  78  and name HB  )   ( resid  74  and name HD2#   ) 3.4 1.6 1.7 volume=1758319.875 peak=777 ppm1=2.328 ppm2=0.712

assign ( resid  13  and name HD1#  )   ( resid  13  and name H   ) 4.1 2.1 1.9 volume=395583.750 peak=778 ppm1=0.506 ppm2=8.510

assign ( resid  43  and name HA  )   ( resid  7  and name HB3   ) 4.0 2.0 2.0 volume=682195.125 peak=779 ppm1=5.341 ppm2=3.222

assign ( resid  1  and name HB3  )   ( resid  1  and name HG2   ) 3.5 1.7 1.7 volume=288832.000 peak=780 ppm1=2.189 ppm2=2.578

assign ( resid  2  and name HG2#  )   ( resid  2  and name HB   ) 2.6 0.8 1.3 volume=3103791.562 peak=781 ppm1=0.214 ppm2=1.507

assign ( resid  39  and name HA  )   ( resid  3  and name H   ) 3.5 1.8 1.8 volume=1026648.875 peak=782 ppm1=4.494 ppm2=8.143

assign ( resid  13  and name HD1#  )   ( resid  14  and name H   ) 3.9 1.9 1.9 volume=572338.375 peak=783 ppm1=0.506 ppm2=6.996

assign ( resid  43  and name HA  )   ( resid  7  and name HB2   ) 3.7 1.9 1.9 volume=1053257.812 peak=784 ppm1=5.340 ppm2=3.053

assign ( resid  6  and name HA  )   ( resid  42  and name H   ) 3.7 1.8 1.8 volume=609204.750 peak=785 ppm1=4.909 ppm2=9.310

assign ( resid  2  and name HB  )   ( resid  2  and name H   ) 3.8 1.9 1.9 volume=509133.000 peak=786 ppm1=1.515 ppm2=8.789

assign ( resid  83  and name HB2  )   ( resid  83  and name HA   ) 3.2 1.5 1.6 volume=202451.625 peak=787 ppm1=3.014 ppm2=4.496

assign ( resid  73  and name HA  )   ( resid  74  and name H   ) 2.8 1.1 1.4 volume=5111031.500 peak=788 ppm1=4.796 ppm2=8.520

assign ( resid  2  and name HG2#  )   ( resid  25  and name HG2#   ) 3.4 1.7 1.7 volume=550614.500 peak=789 ppm1=0.213 ppm2=0.998

assign ( resid  38  and name HB#  )   ( resid  2  and name HG2#   ) 3.4 1.7 1.7 volume=1327667.750 peak=790 ppm1=1.143 ppm2=0.213

assign ( resid  41  and name HA  )   ( resid  41  and name HB3   ) 3.4 1.7 1.7 volume=79664.812 peak=791 ppm1=5.085 ppm2=3.074

assign ( resid  74  and name HA  )   ( resid  74  and name HB2   ) 3.4 1.6 1.7 volume=1937731.812 peak=792 ppm1=3.829 ppm2=1.197

assign ( resid  42  and name HA  )   ( resid  55  and name H   ) 3.8 1.9 1.9 volume=651090.875 peak=793 ppm1=5.128 ppm2=9.058

assign ( resid  56  and name HA  )   ( resid  42  and name HA   ) 2.3 0.5 1.1 volume=2600000.000 peak=794 ppm1=5.324 ppm2=5.126

assign ( resid  43  and name HA  )   ( resid  43  and name HB3   ) 3.4 1.6 1.7 volume=1984040.312 peak=795 ppm1=5.343 ppm2=1.753

assign ( resid  56  and name HA  )   ( resid  56  and name H   ) 3.6 1.8 1.8 volume=883956.500 peak=796 ppm1=5.334 ppm2=9.002

assign ( resid  74  and name HB2  )   ( resid  74  and name HA   ) 3.2 1.4 1.6 volume=1598713.750 peak=797 ppm1=1.202 ppm2=3.831

assign ( resid  10  and name HB2  )   ( resid  10  and name HA   ) 3.2 1.5 1.6 volume=36289.625 peak=798 ppm1=2.955 ppm2=4.386

assign ( resid  81  and name HA  )   ( resid  67  and name HB#   ) 3.2 1.5 1.6 volume=1220845.750 peak=799 ppm1=3.674 ppm2=1.375

assign ( resid  17  and name HD1#  )   ( resid  17  and name HA   ) 3.3 1.6 1.6 volume=1571044.750 peak=800 ppm1=0.636 ppm2=3.746

assign ( resid  43  and name HA  )   ( resid  43  and name H   ) 3.5 1.8 1.8 volume=912207.000 peak=801 ppm1=5.342 ppm2=9.370

assign ( resid  57  and name HB  )   ( resid  41  and name HB3   ) 3.4 1.7 1.7 volume=1508355.375 peak=802 ppm1=3.970 ppm2=3.047

assign ( resid  43  and name HA  )   ( resid  43  and name HG3   ) 3.5 1.8 1.8 volume=1433609.250 peak=803 ppm1=5.343 ppm2=1.373

assign ( resid  32  and name HB2  )   ( resid  32  and name HD#   ) 3.3 1.6 1.6 volume=1302374.000 peak=804 ppm1=3.268 ppm2=7.193

assign ( resid  83  and name HB3  )   ( resid  83  and name HA   ) 3.3 1.6 1.6 volume=279454.625 peak=805 ppm1=2.940 ppm2=4.486

assign ( resid  42  and name HB  )   ( resid  40  and name HB#   ) 3.5 1.7 1.7 volume=1574945.875 peak=806 ppm1=2.247 ppm2=0.695

assign ( resid  53  and name HB3  )   ( resid  53  and name HA   ) 3.7 1.8 1.8 volume=1177286.062 peak=807 ppm1=2.041 ppm2=5.181

assign ( resid  42  and name HA  )   ( resid  42  and name HG2#   ) 3.0 1.3 1.5 volume=2644493.125 peak=808 ppm1=5.127 ppm2=0.866

assign ( resid  59  and name HB3  )   ( resid  59  and name HA   ) 3.2 1.5 1.6 volume=1904078.875 peak=809 ppm1=2.087 ppm2=4.715

assign ( resid  42  and name HB  )   ( resid  42  and name HG2#   ) 3.0 1.3 1.5 volume=3650872.625 peak=810 ppm1=2.238 ppm2=0.851

assign ( resid  35  and name HB  )   ( resid  35  and name H   ) 3.5 1.7 1.7 volume=1172940.500 peak=811 ppm1=2.232 ppm2=7.747

assign ( resid  78  and name HA  )   ( resid  67  and name HB#   ) 3.7 1.9 1.9 volume=756254.125 peak=812 ppm1=3.668 ppm2=1.374

assign ( resid  5  and name HG2  )   ( resid  5  and name HA   ) 3.3 1.5 1.6 volume=738505.125 peak=813 ppm1=2.001 ppm2=4.565

assign ( resid  44  and name HA  )   ( resid  45  and name H   ) 2.9 1.2 1.4 volume=3505038.500 peak=814 ppm1=5.011 ppm2=9.137

assign ( resid  30  and name HA  )   ( resid  32  and name H   ) 3.1 1.4 1.6 volume=2106933.625 peak=815 ppm1=4.070 ppm2=7.680

assign ( resid  75  and name HB2  )   ( resid  75  and name H   ) 3.4 1.7 1.7 volume=1438952.250 peak=816 ppm1=2.899 ppm2=7.463

assign ( resid  42  and name HB  )   ( resid  42  and name HG1#   ) 3.1 1.4 1.6 volume=3035567.000 peak=817 ppm1=2.247 ppm2=1.015

assign ( resid  78  and name HA  )   ( resid  56  and name HB   ) 3.6 1.8 1.8 volume=893662.500 peak=818 ppm1=3.672 ppm2=1.842

assign ( resid  79  and name HB2  )   ( resid  79  and name H   ) 3.6 1.8 1.8 volume=919327.875 peak=819 ppm1=2.946 ppm2=8.436

assign ( resid  42  and name HA  )   ( resid  42  and name HG1#   ) 3.0 1.3 1.5 volume=2509068.250 peak=820 ppm1=5.125 ppm2=1.023

assign ( resid  38  and name HA  )   ( resid  38  and name HB#   ) 2.4 0.7 1.2 volume=3581382.312 peak=821 ppm1=4.266 ppm2=1.144

assign ( resid  23  and name HA  )   ( resid  23  and name HG2   ) 3.2 1.5 1.6 volume=774939.875 peak=822 ppm1=3.883 ppm2=2.235

assign ( resid  34  and name HB3  )   ( resid  34  and name HA   ) 2.5 0.7 1.2 volume=2232229.375 peak=823 ppm1=2.692 ppm2=4.581

assign ( resid  2  and name HG2#  )   ( resid  38  and name HB#   ) 3.2 1.5 1.6 volume=815100.062 peak=824 ppm1=0.214 ppm2=1.150

assign ( resid  41  and name HA  )   ( resid  5  and name HB2   ) 3.0 1.3 1.5 volume=1248458.000 peak=825 ppm1=5.087 ppm2=1.712

assign ( resid  67  and name HB#  )   ( resid  67  and name H   ) 3.2 1.5 1.6 volume=1765605.125 peak=826 ppm1=1.367 ppm2=8.857

assign ( resid  59  and name HB2  )   ( resid  64  and name HG2#   ) 2.7 1.0 1.4 volume=5884167.750 peak=827 ppm1=2.231 ppm2=0.940

assign ( resid  46  and name HA  )   ( resid  51  and name HB#   ) 3.1 1.4 1.6 volume=2046095.625 peak=828 ppm1=4.798 ppm2=1.228

assign ( resid  87  and name HA  )   ( resid  87  and name HB2   ) 2.8 1.1 1.4 volume=4338704.500 peak=829 ppm1=3.929 ppm2=1.981

assign ( resid  2  and name HD1#  )   ( resid  2  and name HG2#   ) 2.2 0.5 1.1 volume=64261.562 peak=830 ppm1=0.672 ppm2=0.214

assign ( resid  84  and name HB3  )   ( resid  84  and name HA   ) 3.6 1.8 1.8 volume=90247.438 peak=831 ppm1=2.048 ppm2=4.031

assign ( resid  10  and name HA  )   ( resid  10  and name HB3   ) 3.0 1.3 1.5 volume=1956784.125 peak=832 ppm1=4.385 ppm2=2.876

assign ( resid  71  and name HA  )   ( resid  71  and name HB3   ) 3.4 1.7 1.7 volume=1675281.375 peak=833 ppm1=4.616 ppm2=2.512

assign ( resid  13  and name HG13  )   ( resid  14  and name HA   ) 3.0 1.2 1.5 volume=134893.375 peak=834 ppm1=1.282 ppm2=4.419

assign ( resid  54  and name HA  )   ( resid  54  and name HG2#   ) 2.7 1.0 1.3 volume=3305322.500 peak=835 ppm1=5.063 ppm2=0.798

assign ( resid  4  and name HA  )   ( resid  39  and name HG1#   ) 4.2 2.1 1.8 volume=362756.000 peak=836 ppm1=4.940 ppm2=0.380

assign ( resid  39  and name HG1#  )   ( resid  59  and name HB3   ) 3.3 1.6 1.7 volume=1415254.125 peak=837 ppm1=0.384 ppm2=2.069

assign ( resid  42  and name HG1#  )   ( resid  41  and name HA   ) 4.0 2.0 2.0 volume=714877.500 peak=838 ppm1=1.025 ppm2=5.088

assign ( resid  74  and name HA  )   ( resid  74  and name HD2#   ) 3.3 1.6 1.7 volume=93110.562 peak=839 ppm1=3.830 ppm2=0.697

assign ( resid  4  and name HB3  )   ( resid  4  and name H   ) 3.5 1.8 1.8 volume=1078344.125 peak=840 ppm1=3.043 ppm2=8.912

assign ( resid  24  and name HB2  )   ( resid  24  and name H   ) 3.0 1.3 1.5 volume=2587120.250 peak=841 ppm1=1.485 ppm2=7.899

assign ( resid  42  and name HA  )   ( resid  42  and name HG2#   ) 3.1 1.4 1.6 volume=2893738.875 peak=842 ppm1=5.127 ppm2=0.866

assign ( resid  31  and name HA  )   ( resid  32  and name HD#   ) 2.8 1.1 1.4 volume=1885357.375 peak=843 ppm1=4.505 ppm2=7.180

assign ( resid  58  and name HB  )   ( resid  81  and name HD1#   ) 3.1 1.4 1.5 volume=2382126.750 peak=844 ppm1=1.901 ppm2=0.725

assign ( resid  31  and name HB2  )   ( resid  31  and name HA   ) 3.5 1.8 1.8 volume=1084524.250 peak=845 ppm1=3.087 ppm2=4.506

assign ( resid  60  and name HB2  )   ( resid  63  and name HG1#   ) 3.1 1.3 1.5 volume=2461491.875 peak=846 ppm1=1.799 ppm2=0.425

assign ( resid  31  and name HA  )   ( resid  32  and name H   ) 3.2 1.5 1.6 volume=1721534.000 peak=847 ppm1=4.501 ppm2=7.724

assign ( resid  90  and name HA  )   ( resid  93  and name HB2   ) 3.0 1.3 1.5 volume=2651248.625 peak=848 ppm1=3.867 ppm2=2.003

assign ( resid  37  and name HB3  )   ( resid  37  and name HA   ) 3.1 1.4 1.6 volume=2566121.438 peak=849 ppm1=2.711 ppm2=4.880

assign ( resid  32  and name HB3  )   ( resid  32  and name HA   ) 3.2 1.5 1.6 volume=1801548.125 peak=850 ppm1=3.128 ppm2=5.020

assign ( resid  40  and name HB#  )   ( resid  41  and name H   ) 3.5 1.8 1.8 volume=1079591.625 peak=851 ppm1=0.679 ppm2=9.075

assign ( resid  75  and name HB3  )   ( resid  75  and name HE#   ) 4.0 2.0 2.0 volume=25548.062 peak=852 ppm1=2.574 ppm2=6.288

assign ( resid  16  and name HA  )   ( resid  19  and name HB3   ) 2.9 1.2 1.4 volume=1489098.688 peak=853 ppm1=4.173 ppm2=2.844

assign ( resid  54  and name HB  )   ( resid  54  and name HA   ) 3.2 1.5 1.6 volume=102625.375 peak=854 ppm1=1.595 ppm2=5.062

assign ( resid  67  and name HA  )   ( resid  67  and name HB#   ) 2.9 1.2 1.5 volume=4306785.750 peak=855 ppm1=4.797 ppm2=1.370

assign ( resid  55  and name HB3  )   ( resid  55  and name HA   ) 3.1 1.4 1.6 volume=2228162.750 peak=856 ppm1=2.107 ppm2=5.243

assign ( resid  28  and name HB3  )   ( resid  28  and name HD1#   ) 2.9 1.2 1.4 volume=3410459.625 peak=857 ppm1=1.963 ppm2=0.933

assign ( resid  28  and name HG  )   ( resid  28  and name HB3   ) 2.3 0.6 1.1 volume=6332588.375 peak=858 ppm1=1.554 ppm2=1.963

assign ( resid  40  and name HB#  )   ( resid  5  and name H   ) 3.9 1.9 1.9 volume=606157.125 peak=859 ppm1=0.680 ppm2=8.775

assign ( resid  45  and name HA  )   ( resid  44  and name HG1#   ) 3.6 1.8 1.8 volume=1139726.250 peak=860 ppm1=4.921 ppm2=0.776

assign ( resid  32  and name HA  )   ( resid  32  and name HB2   ) 3.2 1.5 1.6 volume=115730.375 peak=861 ppm1=5.027 ppm2=3.269

assign ( resid  44  and name HA  )   ( resid  45  and name HG3   ) 3.8 1.9 1.9 volume=798773.500 peak=862 ppm1=5.011 ppm2=1.061

assign ( resid  35  and name HA  )   ( resid  35  and name HB   ) 3.0 1.2 1.5 volume=65464.500 peak=863 ppm1=4.454 ppm2=2.241

assign ( resid  57  and name HA  )   ( resid  58  and name HB   ) 3.8 1.9 1.9 volume=787297.125 peak=864 ppm1=5.272 ppm2=1.889

assign ( resid  36  and name HB3  )   ( resid  36  and name HA   ) 3.0 1.2 1.5 volume=52688.375 peak=865 ppm1=2.242 ppm2=4.431

assign ( resid  50  and name HB2  )   ( resid  50  and name HA   ) 3.2 1.5 1.6 volume=2224410.125 peak=866 ppm1=3.690 ppm2=4.421

assign ( resid  77  and name HA3  )   ( resid  54  and name HG2#   ) 3.2 1.5 1.6 volume=2175914.875 peak=867 ppm1=3.643 ppm2=0.827

assign ( resid  56  and name HB  )   ( resid  56  and name HA   ) 3.5 1.8 1.8 volume=1426629.688 peak=868 ppm1=1.870 ppm2=5.338

assign ( resid  18  and name HA  )   ( resid  17  and name HG2#   ) 2.8 1.0 1.4 volume=1975906.250 peak=869 ppm1=3.561 ppm2=0.727

assign ( resid  16  and name HB#  )   ( resid  16  and name HA   ) 2.5 0.8 1.2 volume=8612785.000 peak=870 ppm1=1.460 ppm2=4.167

assign ( resid  39  and name HA  )   ( resid  40  and name H   ) 2.9 1.2 1.5 volume=3057280.250 peak=871 ppm1=4.494 ppm2=8.395

assign ( resid  18  and name HD2  )   ( resid  18  and name HB2   ) 3.1 1.4 1.6 volume=2170084.625 peak=872 ppm1=3.268 ppm2=1.835

assign ( resid  36  and name HG2  )   ( resid  36  and name HA   ) 3.2 1.4 1.6 volume=85047.250 peak=873 ppm1=1.900 ppm2=4.428

assign ( resid  75  and name HB3  )   ( resid  75  and name HA   ) 3.4 1.7 1.7 volume=104929.688 peak=874 ppm1=2.575 ppm2=3.734

assign ( resid  71  and name HB3  )   ( resid  71  and name HD22   ) 3.6 1.8 1.8 volume=791955.875 peak=875 ppm1=2.508 ppm2=7.803

assign ( resid  27  and name HB2  )   ( resid  27  and name H   ) 3.1 1.3 1.5 volume=2391215.500 peak=876 ppm1=1.946 ppm2=7.084

assign ( resid  52  and name HB  )   ( resid  52  and name HA   ) 3.0 1.3 1.5 volume=2928125.875 peak=877 ppm1=4.084 ppm2=4.684

assign ( resid  60  and name HB2  )   ( resid  61  and name H   ) 3.7 1.9 1.9 volume=945507.875 peak=878 ppm1=1.799 ppm2=8.118

assign ( resid  85  and name HA  )   ( resid  88  and name HB3   ) 3.4 1.6 1.7 volume=1412237.875 peak=879 ppm1=3.971 ppm2=2.248

assign ( resid  74  and name HB3  )   ( resid  74  and name HD2#   ) 3.0 1.2 1.5 volume=3019139.375 peak=880 ppm1=1.479 ppm2=0.737

assign ( resid  28  and name HB3  )   ( resid  28  and name HA   ) 3.3 1.5 1.6 volume=1675680.375 peak=881 ppm1=1.961 ppm2=4.182

assign ( resid  19  and name HB2  )   ( resid  16  and name HA   ) 3.6 1.8 1.8 volume=898317.500 peak=882 ppm1=2.785 ppm2=4.162

assign ( resid  83  and name HB2  )   ( resid  79  and name HA   ) 3.2 1.5 1.6 volume=2357835.625 peak=883 ppm1=3.019 ppm2=4.326

assign ( resid  42  and name HA  )   ( resid  56  and name HA   ) 3.4 1.7 1.7 volume=1297723.625 peak=884 ppm1=5.125 ppm2=5.340

assign ( resid  52  and name HA  )   ( resid  52  and name HG1   ) 3.0 1.3 1.5 volume=3936266.625 peak=885 ppm1=4.704 ppm2=1.057

assign ( resid  66  and name HG2  )   ( resid  66  and name HA   ) 3.6 1.8 1.8 volume=1233980.000 peak=886 ppm1=1.438 ppm2=5.501

assign ( resid  76  and name HB#  )   ( resid  73  and name H   ) 3.8 1.9 1.9 volume=668378.000 peak=887 ppm1=1.432 ppm2=9.123

assign ( resid  13  and name HB  )   ( resid  13  and name HG2#   ) 2.8 1.1 1.4 volume=3779353.125 peak=888 ppm1=2.118 ppm2=0.766

assign ( resid  59  and name HB3  )   ( resid  59  and name HB2   ) 2.6 0.9 1.3 volume=5148659.625 peak=889 ppm1=2.085 ppm2=2.249

assign ( resid  21  and name HA  )   ( resid  21  and name H   ) 3.4 1.7 1.7 volume=1664236.125 peak=890 ppm1=3.270 ppm2=8.148

assign ( resid  81  and name HD1#  )   ( resid  65  and name HB2   ) 3.3 1.6 1.7 volume=29421.688 peak=891 ppm1=0.720 ppm2=1.370

assign ( resid  56  and name HA  )   ( resid  43  and name H   ) 3.6 1.8 1.8 volume=871837.250 peak=892 ppm1=5.336 ppm2=9.372

assign ( resid  36  and name HA  )   ( resid  37  and name H   ) 3.3 1.6 1.7 volume=1813538.625 peak=893 ppm1=4.425 ppm2=8.110

assign ( resid  39  and name HG2#  )   ( resid  39  and name H   ) 3.2 1.5 1.6 volume=1891091.125 peak=894 ppm1=0.733 ppm2=8.200

assign ( resid  66  and name HB3  )   ( resid  66  and name HA   ) 3.0 1.3 1.5 volume=3514789.062 peak=895 ppm1=1.700 ppm2=5.494

assign ( resid  38  and name HA  )   ( resid  39  and name HG2#   ) 3.4 1.7 1.7 volume=976000.750 peak=896 ppm1=4.267 ppm2=0.730

assign ( resid  42  and name HA  )   ( resid  42  and name HG1#   ) 3.2 1.5 1.6 volume=109390.375 peak=897 ppm1=5.125 ppm2=1.023

assign ( resid  79  and name HA  )   ( resid  82  and name HB3   ) 3.0 1.3 1.5 volume=1860371.375 peak=898 ppm1=4.327 ppm2=3.001

assign ( resid  76  and name HB#  )   ( resid  73  and name HB3   ) 2.9 1.1 1.4 volume=3687617.250 peak=899 ppm1=1.432 ppm2=2.911

assign ( resid  50  and name HA  )   ( resid  50  and name HB3   ) 3.4 1.7 1.7 volume=136318.188 peak=900 ppm1=4.419 ppm2=3.773

assign ( resid  43  and name HA  )   ( resid  43  and name HG3   ) 3.5 1.8 1.8 volume=884073.750 peak=901 ppm1=5.343 ppm2=1.373

assign ( resid  45  and name HB2  )   ( resid  45  and name H   ) 3.6 1.8 1.8 volume=1145517.875 peak=902 ppm1=1.648 ppm2=9.144

assign ( resid  57  and name HA  )   ( resid  66  and name HB3   ) 3.6 1.8 1.8 volume=1075172.750 peak=903 ppm1=5.269 ppm2=1.693

assign ( resid  6  and name HB  )   ( resid  7  and name H   ) 4.1 2.1 1.9 volume=514814.500 peak=904 ppm1=1.735 ppm2=9.114

assign ( resid  39  and name HB  )   ( resid  39  and name H   ) 3.2 1.5 1.6 volume=1845624.625 peak=905 ppm1=1.757 ppm2=8.225

assign ( resid  16  and name HA  )   ( resid  16  and name H   ) 3.4 1.7 1.7 volume=1309793.625 peak=906 ppm1=4.180 ppm2=8.120

assign ( resid  6  and name HG2#  )   ( resid  6  and name HA   ) 2.7 0.9 1.3 volume=175090.125 peak=907 ppm1=0.707 ppm2=4.917

assign ( resid  38  and name HB#  )   ( resid  2  and name HA   ) 3.4 1.7 1.7 volume=92078.250 peak=908 ppm1=1.150 ppm2=4.321

assign ( resid  65  and name HB2  )   ( resid  65  and name HB3   ) 2.5 0.8 1.3 volume=4579926.812 peak=909 ppm1=1.370 ppm2=1.790

assign ( resid  7  and name HB3  )   ( resid  43  and name HG3   ) 4.2 2.1 1.8 volume=383978.125 peak=910 ppm1=3.238 ppm2=1.366

assign ( resid  7  and name HB3  )   ( resid  7  and name HA   ) 3.2 1.5 1.6 volume=34967.625 peak=911 ppm1=3.199 ppm2=4.951

assign ( resid  70  and name HB3  )   ( resid  53  and name HA   ) 3.7 1.9 1.9 volume=1024376.062 peak=912 ppm1=1.607 ppm2=5.178

assign ( resid  19  and name HA  )   ( resid  19  and name HB3   ) 2.8 1.0 1.4 volume=2023208.062 peak=913 ppm1=4.308 ppm2=2.820

assign ( resid  23  and name HG2  )   ( resid  24  and name H   ) 3.6 1.8 1.8 volume=918958.250 peak=914 ppm1=2.229 ppm2=7.901

assign ( resid  80  and name HA  )   ( resid  80  and name HB3   ) 3.3 1.6 1.6 volume=20194.875 peak=915 ppm1=4.166 ppm2=1.962

assign ( resid  52  and name HB  )   ( resid  52  and name HA   ) 3.5 1.8 1.8 volume=1517613.500 peak=916 ppm1=4.084 ppm2=4.684

assign ( resid  28  and name HB3  )   ( resid  28  and name HG   ) 2.7 1.0 1.3 volume=5712585.125 peak=917 ppm1=1.963 ppm2=1.554

assign ( resid  53  and name HA  )   ( resid  53  and name HB2   ) 3.4 1.7 1.7 volume=1716153.812 peak=918 ppm1=5.178 ppm2=1.780

assign ( resid  43  and name HA  )   ( resid  43  and name HB2   ) 3.3 1.6 1.7 volume=2162057.125 peak=919 ppm1=5.348 ppm2=1.906

assign ( resid  94  and name HB  )   ( resid  94  and name HG1   ) 3.1 1.3 1.5 volume=140841.312 peak=920 ppm1=4.323 ppm2=1.290

assign ( resid  6  and name HA  )   ( resid  42  and name HB   ) 3.4 1.6 1.7 volume=1291552.375 peak=921 ppm1=4.906 ppm2=2.243

assign ( resid  22  and name HA  )   ( resid  22  and name H   ) 3.5 1.7 1.7 volume=1438151.125 peak=922 ppm1=2.925 ppm2=7.888

assign ( resid  80  and name HB2  )   ( resid  80  and name HA   ) 3.1 1.4 1.6 volume=3110235.062 peak=923 ppm1=1.527 ppm2=4.166

assign ( resid  83  and name HB2  )   ( resid  80  and name HA   ) 3.4 1.7 1.7 volume=205096.000 peak=924 ppm1=3.019 ppm2=4.156

assign ( resid  7  and name HB3  )   ( resid  7  and name H   ) 3.8 1.9 1.9 volume=684131.125 peak=925 ppm1=3.224 ppm2=9.139

assign ( resid  29  and name HA  )   ( resid  29  and name HB3   ) 3.2 1.5 1.6 volume=2131443.250 peak=926 ppm1=3.224 ppm2=2.043

assign ( resid  20  and name HB3  )   ( resid  17  and name HA   ) 3.1 1.4 1.6 volume=966631.438 peak=927 ppm1=3.279 ppm2=3.754

assign ( resid  66  and name HB3  )   ( resid  66  and name H   ) 3.4 1.7 1.7 volume=1570254.125 peak=928 ppm1=1.706 ppm2=8.644

assign ( resid  21  and name HB  )   ( resid  21  and name H   ) 3.5 1.7 1.7 volume=83486.750 peak=929 ppm1=1.810 ppm2=8.147

assign ( resid  66  and name HD2  )   ( resid  66  and name HA   ) 3.6 1.8 1.8 volume=555844.375 peak=930 ppm1=3.092 ppm2=5.479

assign ( resid  52  and name HB  )   ( resid  52  and name HG1   ) 2.8 1.1 1.4 volume=5696265.125 peak=931 ppm1=4.086 ppm2=1.056

assign ( resid  82  and name HB3  )   ( resid  79  and name HA   ) 3.2 1.5 1.6 volume=191831.688 peak=932 ppm1=3.037 ppm2=4.328

assign ( resid  55  and name HB2  )   ( resid  68  and name HA   ) 3.1 1.4 1.5 volume=3008033.625 peak=933 ppm1=1.966 ppm2=5.586

assign ( resid  14  and name HA  )   ( resid  13  and name HG13   ) 2.9 1.2 1.5 volume=3778019.500 peak=934 ppm1=4.419 ppm2=1.282

assign ( resid  40  and name HA  )   ( resid  40  and name H   ) 3.8 1.9 1.9 volume=504930.625 peak=935 ppm1=4.814 ppm2=8.411

assign ( resid  54  and name H  )   ( resid  53  and name HA   ) 3.9 2.0 2.0 volume=769686.250 peak=936 ppm1=9.001 ppm2=5.175

assign ( resid  88  and name HA  )   ( resid  88  and name H   ) 3.1 1.3 1.5 volume=3038835.375 peak=937 ppm1=4.018 ppm2=7.809

assign ( resid  6  and name HB  )   ( resid  5  and name HA   ) 3.8 1.9 1.9 volume=477302.750 peak=938 ppm1=1.730 ppm2=4.573

assign ( resid  32  and name HD#  )   ( resid  32  and name HA   ) 3.4 1.7 1.7 volume=19595.375 peak=939 ppm1=7.187 ppm2=5.026

assign ( resid  80  and name HB2  )   ( resid  80  and name HB3   ) 2.2 0.5 1.1 volume=7214446.312 peak=940 ppm1=1.537 ppm2=1.963

assign ( resid  39  and name HG1#  )   ( resid  5  and name HG2   ) 3.4 1.6 1.7 volume=1403334.000 peak=941 ppm1=0.382 ppm2=1.993

assign ( resid  38  and name HB#  )   ( resid  60  and name HA   ) 3.7 1.9 1.9 volume=765893.750 peak=942 ppm1=1.136 ppm2=4.692

assign ( resid  63  and name HB  )   ( resid  63  and name HA   ) 2.9 1.2 1.5 volume=3715482.750 peak=943 ppm1=1.823 ppm2=4.299

assign ( resid  80  and name HB2  )   ( resid  81  and name HA   ) 3.2 1.5 1.6 volume=96858.750 peak=944 ppm1=1.561 ppm2=3.673

assign ( resid  90  and name HA  )   ( resid  91  and name H   ) 3.7 1.9 1.9 volume=443961.500 peak=945 ppm1=3.865 ppm2=7.650

assign ( resid  31  and name HB3  )   ( resid  31  and name H   ) 4.1 2.0 1.9 volume=87792.938 peak=946 ppm1=2.638 ppm2=7.725

assign ( resid  17  and name HG13  )   ( resid  17  and name HD1#   ) 3.2 1.5 1.6 volume=645726.625 peak=947 ppm1=0.950 ppm2=0.667

assign ( resid  24  and name HB2  )   ( resid  24  and name HA   ) 2.8 1.1 1.4 volume=4176177.375 peak=948 ppm1=1.484 ppm2=4.027

assign ( resid  2  and name HB  )   ( resid  2  and name HA   ) 3.2 1.4 1.6 volume=903634.750 peak=949 ppm1=1.508 ppm2=4.320

assign ( resid  20  and name HA  )   ( resid  23  and name HB3   ) 3.1 1.4 1.5 volume=1003856.375 peak=950 ppm1=4.108 ppm2=1.861

assign ( resid  76  and name HB#  )   ( resid  71  and name HD22   ) 3.7 1.9 1.9 volume=735788.625 peak=951 ppm1=1.430 ppm2=7.807

assign ( resid  26  and name HA2  )   ( resid  26  and name HA3   ) 2.8 1.1 1.4 volume=4268412.000 peak=952 ppm1=3.944 ppm2=4.321

assign ( resid  74  and name HA  )   ( resid  77  and name H   ) 3.2 1.5 1.6 volume=1835253.000 peak=953 ppm1=3.830 ppm2=8.497

assign ( resid  58  and name HB  )   ( resid  65  and name HB2   ) 3.2 1.5 1.6 volume=2161814.000 peak=954 ppm1=1.897 ppm2=1.403

assign ( resid  22  and name HA  )   ( resid  25  and name H   ) 4.2 2.1 1.8 volume=494189.000 peak=955 ppm1=2.927 ppm2=8.272

assign ( resid  79  and name HB2  )   ( resid  76  and name HA   ) 3.2 1.5 1.6 volume=252003.250 peak=956 ppm1=2.958 ppm2=4.149

assign ( resid  54  and name HG2#  )   ( resid  52  and name HB   ) 3.7 1.8 1.8 volume=1173254.438 peak=957 ppm1=0.793 ppm2=4.086

assign ( resid  89  and name HA  )   ( resid  92  and name HB3   ) 3.4 1.6 1.7 volume=1065164.500 peak=958 ppm1=3.780 ppm2=3.272

assign ( resid  31  and name HB3  )   ( resid  31  and name HA   ) 3.3 1.6 1.7 volume=629566.812 peak=959 ppm1=2.638 ppm2=4.510

assign ( resid  17  and name HD1#  )   ( resid  13  and name HA   ) 3.4 1.7 1.7 volume=1284768.250 peak=960 ppm1=0.640 ppm2=3.978

assign ( resid  85  and name HA  )   ( resid  88  and name H   ) 4.1 2.1 1.9 volume=409863.250 peak=961 ppm1=3.970 ppm2=7.803

assign ( resid  44  and name HA  )   ( resid  45  and name HG3   ) 3.9 2.0 2.0 volume=796687.562 peak=962 ppm1=5.011 ppm2=1.061

assign ( resid  2  and name HA  )   ( resid  3  and name H   ) 2.8 1.0 1.4 volume=5192270.500 peak=963 ppm1=4.324 ppm2=8.131

assign ( resid  45  and name HB3  )   ( resid  45  and name HA   ) 3.6 1.8 1.8 volume=1306922.000 peak=964 ppm1=1.709 ppm2=4.941

assign ( resid  86  and name HA  )   ( resid  88  and name H   ) 3.9 1.9 1.9 volume=460499.250 peak=965 ppm1=3.664 ppm2=7.793

assign ( resid  29  and name HA  )   ( resid  32  and name HD#   ) 3.5 1.7 1.7 volume=1182363.750 peak=966 ppm1=3.225 ppm2=7.194

assign ( resid  50  and name HA  )   ( resid  50  and name HB2   ) 3.3 1.6 1.6 volume=2201130.688 peak=967 ppm1=4.421 ppm2=3.690

assign ( resid  17  and name HG13  )   ( resid  17  and name HA   ) 3.1 1.4 1.6 volume=1876499.375 peak=968 ppm1=0.949 ppm2=3.744

assign ( resid  55  and name HA  )   ( resid  55  and name H   ) 2.8 1.1 1.4 volume=3890800.625 peak=969 ppm1=5.246 ppm2=9.013

assign ( resid  86  and name HA  )   ( resid  86  and name HB3   ) 3.0 1.3 1.5 volume=2209.000 peak=970 ppm1=3.670 ppm2=2.110

assign ( resid  39  and name HB  )   ( resid  39  and name HA   ) 3.4 1.6 1.7 volume=1294508.125 peak=971 ppm1=1.760 ppm2=4.508

assign ( resid  13  and name HD1#  )   ( resid  13  and name HB   ) 3.5 1.8 1.8 volume=1058484.125 peak=972 ppm1=0.503 ppm2=2.109

assign ( resid  51  and name HB#  )   ( resid  46  and name HB   ) 3.1 1.3 1.5 volume=3493387.750 peak=973 ppm1=1.228 ppm2=4.146

assign ( resid  17  and name HG2#  )   ( resid  18  and name H   ) 3.2 1.5 1.6 volume=1916592.875 peak=974 ppm1=0.760 ppm2=8.329

assign ( resid  2  and name HA  )   ( resid  38  and name HB#   ) 3.4 1.6 1.7 volume=915778.000 peak=975 ppm1=4.321 ppm2=1.150

assign ( resid  25  and name HG2#  )   ( resid  4  and name HD#   ) 2.8 1.1 1.4 volume=1647981.000 peak=976 ppm1=1.003 ppm2=7.040

assign ( resid  88  and name HB3  )   ( resid  88  and name HA   ) 3.0 1.3 1.5 volume=55260.250 peak=977 ppm1=2.250 ppm2=4.022

assign ( resid  13  and name HB  )   ( resid  14  and name H   ) 3.1 1.4 1.6 volume=1193559.000 peak=978 ppm1=2.115 ppm2=7.030

assign ( resid  54  and name HA  )   ( resid  54  and name HG2#   ) 2.9 1.2 1.4 volume=25056.875 peak=979 ppm1=5.063 ppm2=0.798

assign ( resid  79  and name HA  )   ( resid  82  and name H   ) 2.9 1.1 1.4 volume=2790313.875 peak=980 ppm1=4.325 ppm2=8.675

assign ( resid  46  and name HB  )   ( resid  46  and name HA   ) 3.0 1.3 1.5 volume=3719928.000 peak=981 ppm1=4.143 ppm2=4.806

assign ( resid  27  and name HB2  )   ( resid  27  and name HA   ) 2.7 1.0 1.4 volume=2051073.812 peak=982 ppm1=1.950 ppm2=4.254

assign ( resid  96  and name HB  )   ( resid  96  and name H   ) 3.3 1.6 1.7 volume=1854402.500 peak=983 ppm1=1.821 ppm2=7.866

assign ( resid  17  and name HB  )   ( resid  18  and name H   ) 3.5 1.7 1.7 volume=1449819.500 peak=984 ppm1=1.814 ppm2=8.334

assign ( resid  86  and name HA  )   ( resid  28  and name HD1#   ) 3.4 1.7 1.7 volume=82273.188 peak=985 ppm1=3.665 ppm2=0.949

assign ( resid  77  and name HA3  )   ( resid  76  and name H   ) 4.1 2.1 1.9 volume=523654.625 peak=986 ppm1=3.642 ppm2=7.597

assign ( resid  28  and name HA  )   ( resid  28  and name HG   ) 2.7 1.0 1.3 volume=2279530.500 peak=987 ppm1=4.190 ppm2=1.556

assign ( resid  73  and name HB2  )   ( resid  73  and name HB3   ) 2.6 0.8 1.3 volume=3106151.500 peak=988 ppm1=2.488 ppm2=2.912

assign ( resid  45  and name HB2  )   ( resid  45  and name HA   ) 3.5 1.7 1.7 volume=1536928.750 peak=989 ppm1=1.648 ppm2=4.924

assign ( resid  58  and name HB  )   ( resid  56  and name HG2#   ) 3.2 1.5 1.6 volume=2238395.250 peak=990 ppm1=1.903 ppm2=0.858

assign ( resid  14  and name HG2#  )   ( resid  15  and name H   ) 3.5 1.8 1.8 volume=1008384.625 peak=991 ppm1=1.217 ppm2=8.824

assign ( resid  78  and name HB  )   ( resid  74  and name HD2#   ) 3.5 1.7 1.7 volume=1588877.438 peak=992 ppm1=2.328 ppm2=0.712

assign ( resid  25  and name HA  )   ( resid  25  and name HB   ) 3.0 1.3 1.5 volume=1194016.938 peak=993 ppm1=4.090 ppm2=2.121

assign ( resid  68  and name HB3  )   ( resid  69  and name H   ) 3.8 1.9 1.9 volume=659070.875 peak=994 ppm1=1.970 ppm2=8.899

assign ( resid  84  and name HB3  )   ( resid  84  and name HA   ) 3.5 1.8 1.8 volume=1313213.375 peak=995 ppm1=2.048 ppm2=4.031

assign ( resid  65  and name HA  )   ( resid  66  and name H   ) 2.8 1.1 1.4 volume=3765192.125 peak=996 ppm1=4.586 ppm2=8.656

assign ( resid  93  and name HG3  )   ( resid  94  and name HA   ) 3.5 1.7 1.7 volume=1120552.250 peak=997 ppm1=1.573 ppm2=4.252

assign ( resid  65  and name HA  )   ( resid  65  and name HB2   ) 3.5 1.8 1.8 volume=1443020.188 peak=998 ppm1=4.591 ppm2=1.374

assign ( resid  20  and name HA  )   ( resid  23  and name HB3   ) 3.4 1.7 1.7 volume=1652132.625 peak=999 ppm1=4.107 ppm2=1.864

assign ( resid  20  and name HB3  )   ( resid  17  and name HG2#   ) 3.7 1.8 1.8 volume=803525.000 peak=1000 ppm1=3.275 ppm2=0.745

assign ( resid  21  and name HA  )   ( resid  22  and name H   ) 3.6 1.8 1.8 volume=1143656.625 peak=1001 ppm1=3.276 ppm2=7.880

assign ( resid  70  and name HA  )   ( resid  71  and name H   ) 2.9 1.2 1.4 volume=3691736.250 peak=1002 ppm1=5.456 ppm2=9.050

assign ( resid  1  and name HA  )   ( resid  1  and name HG2   ) 3.5 1.7 1.7 volume=787643.250 peak=1003 ppm1=4.235 ppm2=2.589

assign ( resid  17  and name HG13  )   ( resid  17  and name HA   ) 3.5 1.8 1.8 volume=1436742.188 peak=1004 ppm1=0.949 ppm2=3.744

assign ( resid  76  and name HA  )   ( resid  76  and name H   ) 3.2 1.5 1.6 volume=2061175.000 peak=1005 ppm1=4.145 ppm2=7.599

assign ( resid  45  and name HB3  )   ( resid  45  and name HA   ) 3.5 1.7 1.7 volume=1449631.500 peak=1006 ppm1=1.713 ppm2=4.918

assign ( resid  56  and name HB  )   ( resid  57  and name H   ) 3.5 1.8 1.8 volume=1004106.625 peak=1007 ppm1=1.860 ppm2=8.882

assign ( resid  32  and name HB2  )   ( resid  35  and name HG1#   ) 3.3 1.6 1.7 volume=1841140.375 peak=1008 ppm1=3.268 ppm2=0.959

assign ( resid  32  and name HB3  )   ( resid  35  and name HG1#   ) 3.8 1.9 1.9 volume=489651.875 peak=1009 ppm1=3.124 ppm2=0.956

assign ( resid  34  and name HA  )   ( resid  34  and name HB2   ) 2.5 0.8 1.3 volume=1851503.188 peak=1010 ppm1=4.586 ppm2=2.737

assign ( resid  38  and name HA  )   ( resid  39  and name HG1#   ) 3.6 1.8 1.8 volume=574798.625 peak=1011 ppm1=4.269 ppm2=0.361

assign ( resid  31  and name HB2  )   ( resid  32  and name HD#   ) 3.0 1.3 1.5 volume=1125704.750 peak=1012 ppm1=3.085 ppm2=7.186

assign ( resid  74  and name HA  )   ( resid  75  and name H   ) 3.9 1.9 1.9 volume=585720.875 peak=1013 ppm1=3.828 ppm2=7.466

assign ( resid  32  and name HA  )   ( resid  32  and name H   ) 3.4 1.7 1.7 volume=1660752.125 peak=1014 ppm1=5.026 ppm2=7.690

assign ( resid  6  and name HG2#  )   ( resid  6  and name HB   ) 2.4 0.7 1.2 volume=3257303.812 peak=1015 ppm1=0.701 ppm2=1.729

assign ( resid  63  and name HG1#  )   ( resid  63  and name HA   ) 3.5 1.8 1.8 volume=665.375 peak=1016 ppm1=0.417 ppm2=4.297

assign ( resid  46  and name HB  )   ( resid  45  and name H   ) 4.1 2.0 1.9 volume=534902.375 peak=1017 ppm1=4.150 ppm2=9.168

assign ( resid  88  and name HB3  )   ( resid  65  and name HD2#   ) 3.3 1.5 1.6 volume=1646115.750 peak=1018 ppm1=2.237 ppm2=0.750

assign ( resid  66  and name HB3  )   ( resid  64  and name HG2#   ) 3.4 1.7 1.7 volume=207511.875 peak=1019 ppm1=1.702 ppm2=0.938

assign ( resid  89  and name HA  )   ( resid  91  and name H   ) 3.9 1.9 1.9 volume=290122.125 peak=1020 ppm1=3.784 ppm2=7.664

assign ( resid  6  and name HB  )   ( resid  6  and name HD1#   ) 3.1 1.4 1.6 volume=3071291.188 peak=1021 ppm1=1.729 ppm2=0.815

assign ( resid  85  and name HB3  )   ( resid  82  and name HA   ) 4.0 2.0 2.0 volume=464041.250 peak=1022 ppm1=1.264 ppm2=4.315

assign ( resid  12  and name HA  )   ( resid  12  and name HG1   ) 2.6 0.8 1.3 volume=176540.125 peak=1023 ppm1=4.183 ppm2=1.115

assign ( resid  17  and name HG13  )   ( resid  17  and name HB   ) 3.5 1.7 1.7 volume=1123657.000 peak=1024 ppm1=0.945 ppm2=1.812

assign ( resid  76  and name HA  )   ( resid  79  and name HB3   ) 3.4 1.7 1.7 volume=192007.375 peak=1025 ppm1=4.146 ppm2=2.715

assign ( resid  23  and name HB2  )   ( resid  23  and name HA   ) 3.1 1.4 1.6 volume=2092448.625 peak=1026 ppm1=2.034 ppm2=3.891

assign ( resid  14  and name HG2#  )   ( resid  14  and name HB   ) 2.4 0.7 1.2 volume=4275394.750 peak=1027 ppm1=1.221 ppm2=4.135

assign ( resid  45  and name HA  )   ( resid  45  and name HB2   ) 3.1 1.4 1.6 volume=2628213.750 peak=1028 ppm1=4.919 ppm2=1.674

assign ( resid  63  and name HA  )   ( resid  63  and name HB   ) 3.0 1.3 1.5 volume=141083.688 peak=1029 ppm1=4.291 ppm2=1.828

assign ( resid  67  and name HB#  )   ( resid  81  and name H   ) 3.1 1.4 1.5 volume=2348630.250 peak=1030 ppm1=1.370 ppm2=8.569

assign ( resid  70  and name HA  )   ( resid  54  and name HG2#   ) 4.0 2.0 2.0 volume=307437.625 peak=1031 ppm1=5.458 ppm2=0.800

assign ( resid  80  and name HA  )   ( resid  81  and name H   ) 4.0 2.0 2.0 volume=498802.250 peak=1032 ppm1=4.165 ppm2=8.619

assign ( resid  42  and name HG1#  )   ( resid  42  and name H   ) 3.2 1.5 1.6 volume=1845896.625 peak=1033 ppm1=1.015 ppm2=9.318

assign ( resid  39  and name HG2#  )   ( resid  40  and name H   ) 3.5 1.7 1.7 volume=1139779.125 peak=1034 ppm1=0.731 ppm2=8.425

assign ( resid  74  and name HB3  )   ( resid  74  and name H   ) 3.4 1.7 1.7 volume=1682929.625 peak=1035 ppm1=1.474 ppm2=8.503

assign ( resid  66  and name HA  )   ( resid  66  and name H   ) 3.5 1.7 1.7 volume=1448664.125 peak=1036 ppm1=5.496 ppm2=8.638

assign ( resid  89  and name HA  )   ( resid  92  and name HB3   ) 3.6 1.8 1.8 volume=83794.938 peak=1037 ppm1=3.780 ppm2=3.272

assign ( resid  16  and name HB#  )   ( resid  16  and name H   ) 3.2 1.5 1.6 volume=1810628.625 peak=1038 ppm1=1.462 ppm2=8.153

assign ( resid  39  and name HB  )   ( resid  39  and name HA   ) 3.0 1.3 1.5 volume=1278719.688 peak=1039 ppm1=1.760 ppm2=4.508

assign ( resid  63  and name HA  )   ( resid  63  and name H   ) 3.6 1.8 1.8 volume=965998.250 peak=1040 ppm1=4.297 ppm2=7.161

assign ( resid  85  and name HA  )   ( resid  65  and name HD2#   ) 2.8 1.1 1.4 volume=3920893.750 peak=1041 ppm1=3.974 ppm2=0.781

assign ( resid  85  and name HB3  )   ( resid  85  and name HA   ) 3.7 1.9 1.9 volume=148338.188 peak=1042 ppm1=1.269 ppm2=3.976

assign ( resid  46  and name HB  )   ( resid  46  and name H   ) 3.6 1.8 1.8 volume=1079441.125 peak=1043 ppm1=4.155 ppm2=8.274

assign ( resid  70  and name HA  )   ( resid  53  and name HA   ) 1.8 0.1 0.9 volume=9000000.000 peak=1044 ppm1=5.459 ppm2=5.173

assign ( resid  24  and name HB2  )   ( resid  21  and name HA   ) 3.6 1.8 1.8 volume=56952.688 peak=1045 ppm1=1.491 ppm2=3.272

assign ( resid  57  and name HA  )   ( resid  58  and name H   ) 3.0 1.3 1.5 volume=3167614.000 peak=1046 ppm1=5.275 ppm2=9.255

assign ( resid  42  and name HB  )   ( resid  42  and name HG2#   ) 2.9 1.1 1.4 volume=3614528.875 peak=1047 ppm1=2.238 ppm2=0.851

assign ( resid  12  and name HB  )   ( resid  12  and name H   ) 3.6 1.8 1.8 volume=848201.750 peak=1048 ppm1=3.970 ppm2=8.171

assign ( resid  66  and name HB3  )   ( resid  66  and name HD2   ) 3.1 1.4 1.5 volume=2153408.625 peak=1049 ppm1=1.695 ppm2=3.089

assign ( resid  43  and name HA  )   ( resid  43  and name HB2   ) 3.2 1.5 1.6 volume=1300636.750 peak=1050 ppm1=5.348 ppm2=1.906

assign ( resid  52  and name HB  )   ( resid  52  and name HG1   ) 2.9 1.1 1.4 volume=4587412.375 peak=1051 ppm1=4.086 ppm2=1.056

assign ( resid  75  and name HB3  )   ( resid  75  and name HA   ) 3.3 1.6 1.6 volume=1618481.375 peak=1052 ppm1=2.575 ppm2=3.738

assign ( resid  4  and name HD#  )   ( resid  4  and name HB2   ) 3.4 1.7 1.7 volume=1837417.062 peak=1053 ppm1=7.063 ppm2=2.564

assign ( resid  60  and name HB3  )   ( resid  60  and name HA   ) 3.3 1.6 1.7 volume=9088.750 peak=1054 ppm1=1.561 ppm2=4.664

assign ( resid  66  and name HA  )   ( resid  57  and name HA   ) 3.1 1.4 1.6 volume=81272.000 peak=1055 ppm1=5.494 ppm2=5.274

assign ( resid  76  and name HA  )   ( resid  79  and name HB2   ) 3.1 1.4 1.5 volume=2656552.500 peak=1056 ppm1=4.149 ppm2=2.958

assign ( resid  51  and name HA  )   ( resid  52  and name H   ) 2.8 1.1 1.4 volume=4516238.750 peak=1057 ppm1=4.543 ppm2=8.054

assign ( resid  44  and name HA  )   ( resid  44  and name HG1#   ) 2.8 1.0 1.4 volume=5028384.250 peak=1058 ppm1=5.013 ppm2=0.787

assign ( resid  94  and name HB  )   ( resid  94  and name H   ) 3.7 1.9 1.9 volume=968341.875 peak=1059 ppm1=4.318 ppm2=7.906

assign ( resid  64  and name HG2#  )   ( resid  64  and name HB   ) 2.9 1.2 1.5 volume=113056.875 peak=1060 ppm1=0.936 ppm2=3.878

assign ( resid  82  and name HB3  )   ( resid  82  and name HB2   ) 2.8 1.1 1.4 volume=5160950.875 peak=1061 ppm1=3.041 ppm2=2.532

assign ( resid  78  and name HB  )   ( resid  75  and name HD#   ) 3.5 1.7 1.7 volume=24253.000 peak=1062 ppm1=2.329 ppm2=6.849

assign ( resid  46  and name HB  )   ( resid  51  and name HB#   ) 2.9 1.1 1.4 volume=3937153.000 peak=1063 ppm1=4.146 ppm2=1.228

assign ( resid  74  and name HD2#  )   ( resid  74  and name HB2   ) 3.3 1.6 1.7 volume=2062633.000 peak=1064 ppm1=0.728 ppm2=1.202

assign ( resid  55  and name HB2  )   ( resid  55  and name HB3   ) 2.3 0.6 1.1 volume=5856502.750 peak=1065 ppm1=1.960 ppm2=2.116

assign ( resid  38  and name HB#  )   ( resid  39  and name H   ) 3.0 1.3 1.5 volume=2742804.250 peak=1066 ppm1=1.142 ppm2=8.213

assign ( resid  2  and name HD1#  )   ( resid  2  and name HB   ) 2.4 0.7 1.2 volume=2455213.250 peak=1067 ppm1=0.671 ppm2=1.464

assign ( resid  73  and name HB2  )   ( resid  73  and name HB3   ) 2.9 1.2 1.5 volume=3376100.500 peak=1068 ppm1=2.488 ppm2=2.912

assign ( resid  66  and name HA  )   ( resid  66  and name HG2   ) 3.4 1.7 1.7 volume=1565246.625 peak=1069 ppm1=5.501 ppm2=1.438

assign ( resid  71  and name HB3  )   ( resid  77  and name HA3   ) 3.5 1.7 1.7 volume=4801.562 peak=1070 ppm1=2.508 ppm2=3.637

assign ( resid  62  and name HB3  )   ( resid  62  and name HA   ) 2.8 1.1 1.4 volume=4280657.000 peak=1071 ppm1=2.950 ppm2=4.750

assign ( resid  81  and name HA  )   ( resid  84  and name H   ) 3.6 1.8 1.8 volume=912562.000 peak=1072 ppm1=3.672 ppm2=7.857

assign ( resid  56  and name HA  )   ( resid  56  and name HB   ) 3.5 1.8 1.8 volume=1351735.250 peak=1073 ppm1=5.338 ppm2=1.870

assign ( resid  86  and name HA  )   ( resid  86  and name H   ) 3.2 1.5 1.6 volume=1731804.000 peak=1074 ppm1=3.665 ppm2=8.662

assign ( resid  74  and name HA  )   ( resid  73  and name HA   ) 3.9 1.9 1.9 volume=605683.375 peak=1075 ppm1=3.831 ppm2=4.797

assign ( resid  66  and name HB3  )   ( resid  67  and name H   ) 3.4 1.7 1.7 volume=1682102.875 peak=1076 ppm1=1.700 ppm2=8.846

assign ( resid  57  and name HB  )   ( resid  57  and name HA   ) 3.3 1.6 1.7 volume=1841953.750 peak=1077 ppm1=3.973 ppm2=5.280

assign ( resid  16  and name HA  )   ( resid  19  and name HB3   ) 3.2 1.4 1.6 volume=1993658.750 peak=1078 ppm1=4.173 ppm2=2.844

assign ( resid  54  and name HG2#  )   ( resid  54  and name HB   ) 2.8 1.0 1.4 volume=290954.375 peak=1079 ppm1=0.776 ppm2=1.570

assign ( resid  17  and name HB  )   ( resid  17  and name HA   ) 3.5 1.8 1.8 volume=612440.375 peak=1080 ppm1=1.808 ppm2=3.759

assign ( resid  57  and name HG1  )   ( resid  57  and name HA   ) 2.9 1.2 1.5 volume=3050227.750 peak=1081 ppm1=1.130 ppm2=5.267

assign ( resid  79  and name HB3  )   ( resid  79  and name H   ) 3.7 1.8 1.8 volume=839607.375 peak=1082 ppm1=2.725 ppm2=8.428

assign ( resid  49  and name HA  )   ( resid  49  and name HB3   ) 2.7 0.9 1.3 volume=5648918.250 peak=1083 ppm1=4.777 ppm2=2.905

assign ( resid  58  and name HA  )   ( resid  41  and name H   ) 2.8 1.1 1.4 volume=3913952.625 peak=1084 ppm1=5.068 ppm2=9.051

assign ( resid  13  and name HA  )   ( resid  13  and name HG13   ) 3.2 1.5 1.6 volume=1911161.500 peak=1085 ppm1=3.973 ppm2=1.270

assign ( resid  85  and name HB3  )   ( resid  85  and name HA   ) 3.2 1.5 1.6 volume=1956466.625 peak=1086 ppm1=1.265 ppm2=3.959

assign ( resid  87  and name HA  )   ( resid  87  and name HB2   ) 3.0 1.3 1.5 volume=87597.938 peak=1087 ppm1=3.929 ppm2=1.981

assign ( resid  39  and name HG1#  )   ( resid  5  and name H   ) 4.5 2.2 1.5 volume=246055.875 peak=1088 ppm1=0.376 ppm2=8.784

assign ( resid  74  and name HA  )   ( resid  74  and name HB3   ) 3.1 1.4 1.6 volume=1826195.312 peak=1089 ppm1=3.824 ppm2=1.472

assign ( resid  57  and name HG1  )   ( resid  41  and name HB2   ) 3.5 1.8 1.8 volume=470874.875 peak=1090 ppm1=1.138 ppm2=3.297

assign ( resid  6  and name HA  )   ( resid  42  and name HB   ) 3.2 1.4 1.6 volume=253280.938 peak=1091 ppm1=4.920 ppm2=2.240

assign ( resid  92  and name HA  )   ( resid  92  and name HB2   ) 3.0 1.3 1.5 volume=2694901.875 peak=1092 ppm1=4.506 ppm2=3.074

assign ( resid  65  and name HB3  )   ( resid  65  and name HB2   ) 2.9 1.2 1.4 volume=3949835.750 peak=1093 ppm1=1.796 ppm2=1.380

assign ( resid  2  and name HB  )   ( resid  2  and name HA   ) 3.2 1.5 1.6 volume=1411571.562 peak=1094 ppm1=1.490 ppm2=4.326

assign ( resid  32  and name HB2  )   ( resid  33  and name HA   ) 3.5 1.8 1.8 volume=1059633.750 peak=1095 ppm1=3.268 ppm2=4.527

assign ( resid  7  and name HB2  )   ( resid  7  and name H   ) 3.5 1.8 1.8 volume=1296060.500 peak=1096 ppm1=3.074 ppm2=9.141

assign ( resid  74  and name HA  )   ( resid  77  and name HA3   ) 3.8 1.9 1.9 volume=968332.062 peak=1097 ppm1=3.827 ppm2=3.660

assign ( resid  30  and name HA  )   ( resid  30  and name H   ) 3.3 1.6 1.7 volume=1469324.000 peak=1098 ppm1=4.071 ppm2=7.233

assign ( resid  17  and name HB  )   ( resid  18  and name HA   ) 3.3 1.6 1.7 volume=674151.250 peak=1099 ppm1=1.804 ppm2=3.554

assign ( resid  65  and name HB2  )   ( resid  65  and name H   ) 3.9 2.0 2.0 volume=492343.750 peak=1100 ppm1=1.372 ppm2=8.273

assign ( resid  65  and name HD2#  )   ( resid  65  and name HA   ) 3.0 1.3 1.5 volume=2334744.000 peak=1101 ppm1=0.748 ppm2=4.557

assign ( resid  38  and name HB#  )   ( resid  2  and name HD1#   ) 2.8 1.1 1.4 volume=1765775.062 peak=1102 ppm1=1.147 ppm2=0.674

assign ( resid  33  and name HB3  )   ( resid  33  and name HA   ) 2.7 1.0 1.4 volume=4837516.250 peak=1103 ppm1=2.808 ppm2=4.538

assign ( resid  10  and name HA  )   ( resid  10  and name HB2   ) 3.0 1.3 1.5 volume=2778054.250 peak=1104 ppm1=4.386 ppm2=2.955

assign ( resid  37  and name HA  )   ( resid  37  and name HB3   ) 3.1 1.3 1.5 volume=2829625.875 peak=1105 ppm1=4.880 ppm2=2.711

assign ( resid  16  and name HA  )   ( resid  16  and name HB#   ) 2.6 0.9 1.3 volume=8858010.438 peak=1106 ppm1=4.167 ppm2=1.460

assign ( resid  76  and name HB#  )   ( resid  73  and name HB2   ) 3.6 1.8 1.8 volume=1304396.750 peak=1107 ppm1=1.428 ppm2=2.493

assign ( resid  61  and name HA  )   ( resid  61  and name H   ) 3.9 2.0 2.0 volume=554288.000 peak=1108 ppm1=3.995 ppm2=8.108

assign ( resid  53  and name HA  )   ( resid  70  and name HB3   ) 3.4 1.7 1.7 volume=1537012.500 peak=1109 ppm1=5.178 ppm2=1.607

assign ( resid  75  and name HB2  )   ( resid  76  and name H   ) 3.7 1.8 1.8 volume=842364.625 peak=1110 ppm1=2.896 ppm2=7.589

assign ( resid  76  and name HA  )   ( resid  76  and name HB#   ) 2.7 1.0 1.3 volume=157702.125 peak=1111 ppm1=4.145 ppm2=1.441

assign ( resid  75  and name HB2  )   ( resid  75  and name HB3   ) 2.4 0.7 1.2 volume=4228132.562 peak=1112 ppm1=2.899 ppm2=2.577

assign ( resid  44  and name HA  )   ( resid  44  and name HB   ) 3.5 1.8 1.8 volume=1293419.125 peak=1113 ppm1=5.010 ppm2=1.886

assign ( resid  22  and name HA  )   ( resid  21  and name H   ) 4.0 2.0 2.0 volume=465637.500 peak=1114 ppm1=2.925 ppm2=8.155

assign ( resid  12  and name HG1  )   ( resid  12  and name HB   ) 2.2 0.5 1.1 volume=476990.625 peak=1115 ppm1=1.124 ppm2=3.965

assign ( resid  42  and name HA  )   ( resid  42  and name HB   ) 3.9 2.0 2.0 volume=91541.250 peak=1116 ppm1=5.122 ppm2=2.235

assign ( resid  17  and name HA  )   ( resid  17  and name HB   ) 3.5 1.8 1.8 volume=33864.250 peak=1117 ppm1=3.759 ppm2=1.808

assign ( resid  7  and name HB2  )   ( resid  43  and name HG3   ) 4.2 2.1 1.8 volume=356717.875 peak=1118 ppm1=3.068 ppm2=1.374

assign ( resid  65  and name HB3  )   ( resid  56  and name HG2#   ) 3.2 1.5 1.6 volume=1752970.750 peak=1119 ppm1=1.795 ppm2=0.874

assign ( resid  52  and name HG1  )   ( resid  74  and name HA   ) 4.0 2.0 2.0 volume=719714.625 peak=1120 ppm1=1.052 ppm2=3.829

assign ( resid  68  and name HA  )   ( resid  68  and name HB3   ) 3.0 1.3 1.5 volume=3214291.375 peak=1121 ppm1=5.587 ppm2=1.960

assign ( resid  29  and name HB3  )   ( resid  29  and name HA   ) 3.5 1.7 1.7 volume=15321.688 peak=1122 ppm1=2.043 ppm2=3.224

assign ( resid  63  and name HB  )   ( resid  63  and name H   ) 3.9 2.0 2.0 volume=530671.375 peak=1123 ppm1=1.825 ppm2=7.138

assign ( resid  2  and name HB  )   ( resid  38  and name HB#   ) 4.0 2.0 2.0 volume=175892.500 peak=1124 ppm1=1.520 ppm2=1.158

assign ( resid  31  and name HA  )   ( resid  31  and name HB3   ) 3.4 1.7 1.7 volume=852456.500 peak=1125 ppm1=4.496 ppm2=2.631

assign ( resid  1  and name HB3  )   ( resid  1  and name HG2   ) 3.4 1.6 1.7 volume=1125947.375 peak=1126 ppm1=2.189 ppm2=2.578

assign ( resid  41  and name HB2  )   ( resid  41  and name HA   ) 3.5 1.7 1.7 volume=1575166.750 peak=1127 ppm1=3.256 ppm2=5.085

assign ( resid  75  and name HB3  )   ( resid  76  and name H   ) 3.8 1.9 1.9 volume=629451.875 peak=1128 ppm1=2.577 ppm2=7.596

assign ( resid  26  and name HA3  )   ( resid  25  and name HG2#   ) 4.0 2.0 2.0 volume=639509.750 peak=1129 ppm1=4.323 ppm2=0.993

assign ( resid  38  and name HA  )   ( resid  39  and name H   ) 2.7 1.0 1.3 volume=5787624.750 peak=1130 ppm1=4.265 ppm2=8.236

assign ( resid  23  and name HG2  )   ( resid  23  and name H   ) 3.7 1.9 1.9 volume=758250.375 peak=1131 ppm1=2.235 ppm2=8.159

assign ( resid  17  and name HA  )   ( resid  20  and name HB2   ) 3.7 1.9 1.9 volume=583392.625 peak=1132 ppm1=3.767 ppm2=3.024

assign ( resid  79  and name HA  )   ( resid  79  and name H   ) 3.0 1.3 1.5 volume=1683377.000 peak=1133 ppm1=4.327 ppm2=8.428

assign ( resid  17  and name HG13  )   ( resid  17  and name H   ) 3.7 1.8 1.8 volume=988446.875 peak=1134 ppm1=0.947 ppm2=7.362

assign ( resid  65  and name HG  )   ( resid  66  and name H   ) 3.5 1.7 1.7 volume=1099441.750 peak=1135 ppm1=1.851 ppm2=8.694

assign ( resid  31  and name HB3  )   ( resid  32  and name HD#   ) 3.0 1.3 1.5 volume=1120317.625 peak=1136 ppm1=2.635 ppm2=7.180

assign ( resid  4  and name HB3  )   ( resid  4  and name HA   ) 3.4 1.7 1.7 volume=135526.688 peak=1137 ppm1=3.047 ppm2=4.952

assign ( resid  74  and name HA  )   ( resid  52  and name HG1   ) 4.0 2.0 2.0 volume=456235.000 peak=1138 ppm1=3.829 ppm2=1.052

assign ( resid  96  and name HB  )   ( resid  96  and name HD1#   ) 2.8 1.0 1.4 volume=5265094.000 peak=1139 ppm1=1.833 ppm2=0.857

assign ( resid  73  and name HB2  )   ( resid  73  and name HA   ) 3.1 1.4 1.6 volume=1513347.375 peak=1140 ppm1=2.493 ppm2=4.798

assign ( resid  70  and name HA  )   ( resid  53  and name HA   ) 2.7 0.9 1.3 volume=2495258.125 peak=1141 ppm1=5.462 ppm2=5.177

assign ( resid  42  and name HG1#  )   ( resid  6  and name HA   ) 3.9 2.0 2.0 volume=752730.938 peak=1142 ppm1=1.014 ppm2=4.909

assign ( resid  77  and name HA3  )   ( resid  77  and name H   ) 3.0 1.2 1.5 volume=2920769.125 peak=1143 ppm1=3.645 ppm2=8.479

assign ( resid  31  and name HB2  )   ( resid  31  and name HB3   ) 2.6 0.9 1.3 volume=2866171.625 peak=1144 ppm1=3.089 ppm2=2.638

assign ( resid  6  and name HA  )   ( resid  6  and name HD1#   ) 3.2 1.5 1.6 volume=2544906.062 peak=1145 ppm1=4.919 ppm2=0.834

assign ( resid  76  and name HB#  )   ( resid  77  and name H   ) 3.1 1.4 1.6 volume=2203703.625 peak=1146 ppm1=1.432 ppm2=8.497

assign ( resid  78  and name HB  )   ( resid  75  and name HD#   ) 3.5 1.8 1.8 volume=1328025.750 peak=1147 ppm1=2.329 ppm2=6.849

assign ( resid  81  and name HA  )   ( resid  80  and name HB2   ) 3.1 1.4 1.5 volume=488788.000 peak=1148 ppm1=3.673 ppm2=1.561

assign ( resid  66  and name HG2  )   ( resid  66  and name HB3   ) 2.9 1.2 1.4 volume=1118901.375 peak=1149 ppm1=1.469 ppm2=1.704

assign ( resid  55  and name HB3  )   ( resid  68  and name HA   ) 3.4 1.7 1.7 volume=1746333.312 peak=1150 ppm1=2.114 ppm2=5.586

assign ( resid  55  and name HA  )   ( resid  68  and name HA   ) 2.5 0.8 1.3 volume=3556253.500 peak=1151 ppm1=5.251 ppm2=5.585

assign ( resid  11  and name HB3  )   ( resid  11  and name H   ) 3.9 2.0 2.0 volume=320489.625 peak=1152 ppm1=1.678 ppm2=7.573

assign ( resid  45  and name HA  )   ( resid  45  and name H   ) 3.7 1.8 1.8 volume=649130.000 peak=1153 ppm1=4.918 ppm2=9.148

assign ( resid  68  and name HA  )   ( resid  55  and name HA   ) 1.9 0.2 1.0 volume=6603120.750 peak=1154 ppm1=5.576 ppm2=5.242

assign ( resid  55  and name HB3  )   ( resid  55  and name HA   ) 3.2 1.5 1.6 volume=94995.875 peak=1155 ppm1=2.134 ppm2=5.249

assign ( resid  6  and name HA  )   ( resid  6  and name HB   ) 3.5 1.7 1.7 volume=688443.500 peak=1156 ppm1=4.907 ppm2=1.724

assign ( resid  32  and name HA  )   ( resid  32  and name HD#   ) 3.2 1.5 1.6 volume=2285440.875 peak=1157 ppm1=5.026 ppm2=7.187

assign ( resid  1  and name HB3  )   ( resid  1  and name HA   ) 3.2 1.5 1.6 volume=2510533.812 peak=1158 ppm1=2.186 ppm2=4.232

assign ( resid  75  and name HB3  )   ( resid  75  and name H   ) 3.5 1.7 1.7 volume=1132632.250 peak=1159 ppm1=2.580 ppm2=7.466

assign ( resid  50  and name HB3  )   ( resid  50  and name HA   ) 3.3 1.6 1.7 volume=1291190.750 peak=1160 ppm1=3.773 ppm2=4.419

assign ( resid  7  and name HA  )   ( resid  8  and name H   ) 3.4 1.6 1.7 volume=1768696.125 peak=1161 ppm1=4.981 ppm2=8.681

assign ( resid  4  and name HA  )   ( resid  4  and name HB3   ) 3.4 1.7 1.7 volume=1650775.000 peak=1162 ppm1=4.939 ppm2=3.036

assign ( resid  7  and name HA  )   ( resid  7  and name H   ) 3.6 1.8 1.8 volume=821953.375 peak=1163 ppm1=4.982 ppm2=9.135

assign ( resid  7  and name HA  )   ( resid  7  and name HB2   ) 3.2 1.5 1.6 volume=2642192.312 peak=1164 ppm1=4.950 ppm2=3.038

assign ( resid  85  and name HA  )   ( resid  85  and name H   ) 3.5 1.7 1.7 volume=1141958.875 peak=1165 ppm1=3.973 ppm2=8.691

assign ( resid  4  and name HA  )   ( resid  4  and name HB2   ) 3.3 1.6 1.7 volume=109555.250 peak=1166 ppm1=4.938 ppm2=2.557

assign ( resid  10  and name HA  )   ( resid  11  and name H   ) 4.0 2.0 2.0 volume=644111.625 peak=1167 ppm1=4.382 ppm2=7.570

assign ( resid  12  and name HA  )   ( resid  13  and name HG2#   ) 3.7 1.8 1.8 volume=603984.000 peak=1168 ppm1=4.181 ppm2=0.755

assign ( resid  53  and name HA  )   ( resid  53  and name HB3   ) 3.8 1.9 1.9 volume=461731.875 peak=1169 ppm1=5.181 ppm2=2.041

assign ( resid  86  and name HA  )   ( resid  28  and name HD1#   ) 3.2 1.5 1.6 volume=2266623.250 peak=1170 ppm1=3.665 ppm2=0.949

assign ( resid  20  and name HA  )   ( resid  21  and name H   ) 3.5 1.7 1.7 volume=1145311.125 peak=1171 ppm1=4.110 ppm2=8.155

assign ( resid  90  and name HA  )   ( resid  90  and name H   ) 3.3 1.6 1.6 volume=1595583.000 peak=1172 ppm1=3.866 ppm2=7.815

assign ( resid  41  and name HA  )   ( resid  5  and name HB2   ) 3.6 1.8 1.8 volume=885537.250 peak=1173 ppm1=5.087 ppm2=1.712

assign ( resid  75  and name HA  )   ( resid  78  and name H   ) 3.7 1.9 1.9 volume=934469.250 peak=1174 ppm1=3.740 ppm2=8.422

assign ( resid  35  and name HB  )   ( resid  35  and name HG1#   ) 2.7 1.0 1.3 volume=6254938.625 peak=1175 ppm1=2.239 ppm2=0.917

assign ( resid  66  and name HD2  )   ( resid  66  and name HB3   ) 3.2 1.5 1.6 volume=359375.875 peak=1176 ppm1=3.089 ppm2=1.695

assign ( resid  74  and name HB2  )   ( resid  74  and name H   ) 3.5 1.8 1.8 volume=1217188.125 peak=1177 ppm1=1.197 ppm2=8.503

assign ( resid  12  and name HB  )   ( resid  12  and name HA   ) 2.8 1.1 1.4 volume=2507975.125 peak=1178 ppm1=3.963 ppm2=4.179

assign ( resid  35  and name HG1#  )   ( resid  35  and name HB   ) 2.9 1.2 1.4 volume=4933718.000 peak=1179 ppm1=0.917 ppm2=2.239

assign ( resid  8  and name HA2  )   ( resid  44  and name HG1#   ) 3.6 1.8 1.8 volume=859145.625 peak=1180 ppm1=3.752 ppm2=0.760

assign ( resid  36  and name HA  )   ( resid  35  and name HG1#   ) 4.3 2.2 1.7 volume=308295.875 peak=1181 ppm1=4.431 ppm2=0.910

assign ( resid  23  and name HA  )   ( resid  23  and name H   ) 3.1 1.4 1.5 volume=2800356.875 peak=1182 ppm1=3.884 ppm2=8.173

assign ( resid  44  and name HA  )   ( resid  45  and name HB3   ) 3.8 1.9 1.9 volume=655767.250 peak=1183 ppm1=5.005 ppm2=1.694

assign ( resid  38  and name HB#  )   ( resid  38  and name HA   ) 2.7 1.0 1.4 volume=3773666.000 peak=1184 ppm1=1.144 ppm2=4.270

assign ( resid  32  and name HB3  )   ( resid  32  and name HD#   ) 3.4 1.7 1.7 volume=1258087.250 peak=1185 ppm1=3.127 ppm2=7.190

assign ( resid  31  and name HB2  )   ( resid  31  and name H   ) 3.7 1.8 1.8 volume=834348.375 peak=1186 ppm1=3.089 ppm2=7.727

assign ( resid  13  and name HA  )   ( resid  13  and name HD1#   ) 3.1 1.3 1.5 volume=3108078.000 peak=1187 ppm1=3.971 ppm2=0.505

assign ( resid  37  and name HA  )   ( resid  37  and name H   ) 3.1 1.4 1.6 volume=2191692.250 peak=1188 ppm1=4.882 ppm2=8.118

assign ( resid  18  and name HA  )   ( resid  18  and name H   ) 3.4 1.7 1.7 volume=1547477.000 peak=1189 ppm1=3.563 ppm2=8.340

assign ( resid  78  and name HA  )   ( resid  78  and name H   ) 3.3 1.6 1.7 volume=1290025.125 peak=1190 ppm1=3.680 ppm2=8.423

assign ( resid  92  and name HB2  )   ( resid  89  and name HA   ) 3.7 1.9 1.9 volume=58399.000 peak=1191 ppm1=3.031 ppm2=3.781

assign ( resid  92  and name HA  )   ( resid  92  and name HB3   ) 3.3 1.6 1.7 volume=1042854.000 peak=1192 ppm1=4.511 ppm2=3.231

assign ( resid  89  and name HB  )   ( resid  88  and name H   ) 3.5 1.7 1.7 volume=1180259.625 peak=1193 ppm1=2.030 ppm2=7.798

assign ( resid  4  and name HB2  )   ( resid  4  and name HD#   ) 3.1 1.4 1.6 volume=2837712.000 peak=1194 ppm1=2.560 ppm2=7.062

assign ( resid  91  and name HA  )   ( resid  91  and name H   ) 3.0 1.3 1.5 volume=3148181.375 peak=1195 ppm1=4.074 ppm2=7.655

assign ( resid  41  and name HB2  )   ( resid  41  and name H   ) 3.6 1.8 1.8 volume=906422.250 peak=1196 ppm1=3.278 ppm2=9.072

assign ( resid  76  and name HB#  )   ( resid  77  and name HA3   ) 3.7 1.9 1.9 volume=736829.250 peak=1197 ppm1=1.431 ppm2=3.634

assign ( resid  51  and name HA  )   ( resid  51  and name H   ) 3.8 1.9 1.9 volume=895084.500 peak=1198 ppm1=4.545 ppm2=7.886

assign ( resid  68  and name HA  )   ( resid  55  and name HB3   ) 3.3 1.6 1.6 volume=2050507.250 peak=1199 ppm1=5.586 ppm2=2.114

assign ( resid  67  and name HA  )   ( resid  68  and name H   ) 2.8 1.0 1.4 volume=5368486.375 peak=1200 ppm1=4.793 ppm2=8.560

assign ( resid  19  and name HB2  )   ( resid  16  and name HA   ) 3.3 1.6 1.7 volume=623725.125 peak=1201 ppm1=2.785 ppm2=4.162

assign ( resid  32  and name HA  )   ( resid  32  and name HB3   ) 3.4 1.7 1.7 volume=1016818.062 peak=1202 ppm1=5.020 ppm2=3.128

assign ( resid  35  and name HG1#  )   ( resid  32  and name HB3   ) 3.9 2.0 2.0 volume=740923.625 peak=1203 ppm1=0.956 ppm2=3.124

assign ( resid  76  and name HB#  )   ( resid  71  and name HD21   ) 3.5 1.8 1.8 volume=1037211.250 peak=1204 ppm1=1.428 ppm2=7.087

assign ( resid  54  and name HB  )   ( resid  54  and name HG2#   ) 2.6 0.9 1.3 volume=6631170.875 peak=1205 ppm1=1.570 ppm2=0.776

assign ( resid  17  and name HA  )   ( resid  20  and name HB3   ) 3.5 1.8 1.8 volume=861264.625 peak=1206 ppm1=3.767 ppm2=3.262

assign ( resid  7  and name HB2  )   ( resid  7  and name HA   ) 3.3 1.6 1.6 volume=1603033.125 peak=1207 ppm1=3.061 ppm2=4.970

assign ( resid  35  and name HB  )   ( resid  32  and name HB2   ) 3.7 1.9 1.9 volume=1014773.562 peak=1208 ppm1=2.234 ppm2=3.262

assign ( resid  25  and name HA  )   ( resid  28  and name HG   ) 3.1 1.4 1.6 volume=941880.688 peak=1209 ppm1=4.091 ppm2=1.526

assign ( resid  28  and name HB3  )   ( resid  32  and name HD#   ) 4.1 2.0 1.9 volume=451981.250 peak=1210 ppm1=1.957 ppm2=7.171

assign ( resid  38  and name HB#  )   ( resid  39  and name HG1#   ) 2.9 1.2 1.5 volume=1435901.000 peak=1211 ppm1=1.146 ppm2=0.351

assign ( resid  6  and name HA  )   ( resid  42  and name HG1#   ) 3.4 1.7 1.7 volume=784535.500 peak=1212 ppm1=4.909 ppm2=1.014

assign ( resid  18  and name HA  )   ( resid  17  and name HG2#   ) 3.0 1.3 1.5 volume=2798689.625 peak=1213 ppm1=3.561 ppm2=0.727

assign ( resid  7  and name HB2  )   ( resid  8  and name HA3   ) 4.2 2.1 1.8 volume=379129.625 peak=1214 ppm1=3.055 ppm2=4.687

assign ( resid  12  and name HA  )   ( resid  13  and name H   ) 3.3 1.6 1.6 volume=1548442.875 peak=1215 ppm1=4.185 ppm2=8.536

assign ( resid  31  and name HB3  )   ( resid  31  and name H   ) 3.5 1.8 1.8 volume=744186.000 peak=1216 ppm1=2.638 ppm2=7.725

assign ( resid  6  and name HB  )   ( resid  6  and name H   ) 3.5 1.8 1.8 volume=1332417.375 peak=1217 ppm1=1.735 ppm2=8.598

assign ( resid  83  and name HA  )   ( resid  86  and name H   ) 3.7 1.9 1.9 volume=968639.500 peak=1218 ppm1=4.493 ppm2=8.668

assign ( resid  14  and name HG2#  )   ( resid  14  and name HB   ) 2.8 1.0 1.4 volume=4567820.000 peak=1219 ppm1=1.221 ppm2=4.135

assign ( resid  78  and name HB  )   ( resid  78  and name HA   ) 3.3 1.6 1.7 volume=1452477.250 peak=1220 ppm1=2.326 ppm2=3.711

assign ( resid  39  and name HG2#  )   ( resid  39  and name HG1#   ) 2.5 0.7 1.2 volume=9116244.500 peak=1221 ppm1=0.732 ppm2=0.383

assign ( resid  4  and name HA  )   ( resid  6  and name HD1#   ) 4.1 2.1 1.9 volume=403445.750 peak=1222 ppm1=4.942 ppm2=0.817

assign ( resid  82  and name HB3  )   ( resid  82  and name HD21   ) 3.9 1.9 1.9 volume=602968.250 peak=1223 ppm1=3.028 ppm2=7.320

assign ( resid  55  and name HB2  )   ( resid  55  and name H   ) 3.5 1.8 1.8 volume=1084007.625 peak=1224 ppm1=1.956 ppm2=9.030

assign ( resid  53  and name HA  )   ( resid  54  and name HG2#   ) 3.7 1.9 1.9 volume=969687.875 peak=1225 ppm1=5.176 ppm2=0.792

assign ( resid  71  and name HB2  )   ( resid  71  and name HA   ) 3.3 1.6 1.7 volume=1443007.500 peak=1226 ppm1=2.571 ppm2=4.617

assign ( resid  29  and name HA  )   ( resid  29  and name HB2   ) 3.5 1.7 1.7 volume=39385.562 peak=1227 ppm1=3.224 ppm2=1.988

assign ( resid  38  and name HA  )   ( resid  39  and name HB   ) 3.8 1.9 1.9 volume=626097.875 peak=1228 ppm1=4.269 ppm2=1.751

assign ( resid  3  and name HA  )   ( resid  4  and name H   ) 2.8 1.0 1.4 volume=4432538.750 peak=1229 ppm1=4.541 ppm2=8.910

assign ( resid  5  and name HG2  )   ( resid  5  and name HA   ) 3.6 1.8 1.8 volume=974767.125 peak=1230 ppm1=2.001 ppm2=4.565

assign ( resid  79  and name HA  )   ( resid  79  and name HB3   ) 2.8 1.1 1.4 volume=2995945.500 peak=1231 ppm1=4.326 ppm2=2.708

assign ( resid  13  and name HG2#  )   ( resid  14  and name H   ) 3.1 1.4 1.5 volume=2357666.000 peak=1232 ppm1=0.757 ppm2=6.995

assign ( resid  20  and name HB3  )   ( resid  20  and name HA   ) 3.2 1.4 1.6 volume=1979856.000 peak=1233 ppm1=3.275 ppm2=4.112

assign ( resid  39  and name HB  )   ( resid  39  and name HG2#   ) 2.5 0.8 1.3 volume=7312418.000 peak=1234 ppm1=1.755 ppm2=0.732

assign ( resid  68  and name HB3  )   ( resid  68  and name HA   ) 3.1 1.4 1.5 volume=156280.875 peak=1235 ppm1=1.960 ppm2=5.587

assign ( resid  67  and name HA  )   ( resid  67  and name HB#   ) 2.7 1.0 1.4 volume=4868637.000 peak=1236 ppm1=4.797 ppm2=1.370

assign ( resid  72  and name HA  )   ( resid  51  and name HA   ) 3.2 1.5 1.6 volume=300000.000 peak=1237 ppm1=4.643 ppm2=4.505

assign ( resid  13  and name HA  )   ( resid  13  and name HG2#   ) 2.8 1.0 1.4 volume=4544576.750 peak=1238 ppm1=3.973 ppm2=0.771

assign ( resid  55  and name HA  )   ( resid  55  and name HB2   ) 3.1 1.4 1.5 volume=218516.375 peak=1239 ppm1=5.249 ppm2=1.960

assign ( resid  27  and name HA  )   ( resid  27  and name HB2   ) 2.7 1.0 1.4 volume=5025970.000 peak=1240 ppm1=4.254 ppm2=1.950

assign ( resid  55  and name H  )   ( resid  54  and name HA   ) 3.4 1.7 1.7 volume=51755.625 peak=1241 ppm1=9.047 ppm2=5.070

assign ( resid  52  and name HG1  )   ( resid  52  and name HA   ) 2.8 1.1 1.4 volume=3933625.000 peak=1242 ppm1=1.057 ppm2=4.704

assign ( resid  23  and name HB2  )   ( resid  23  and name H   ) 3.4 1.7 1.7 volume=1270297.250 peak=1243 ppm1=2.038 ppm2=8.163

assign ( resid  24  and name HB2  )   ( resid  25  and name HB   ) 4.0 2.0 2.0 volume=454345.875 peak=1244 ppm1=1.484 ppm2=2.073

assign ( resid  8  and name HA2  )   ( resid  44  and name HB   ) 3.9 2.0 2.0 volume=452928.250 peak=1245 ppm1=3.759 ppm2=1.877

assign ( resid  18  and name HD2  )   ( resid  18  and name HB2   ) 2.9 1.2 1.4 volume=1515716.812 peak=1246 ppm1=3.268 ppm2=1.835

assign ( resid  92  and name HB2  )   ( resid  92  and name HA   ) 3.2 1.5 1.6 volume=273864.188 peak=1247 ppm1=3.074 ppm2=4.506

assign ( resid  78  and name HB  )   ( resid  78  and name H   ) 3.1 1.4 1.6 volume=2483059.125 peak=1248 ppm1=2.320 ppm2=8.416

assign ( resid  83  and name HB2  )   ( resid  80  and name HA   ) 3.2 1.5 1.6 volume=1503426.500 peak=1249 ppm1=3.019 ppm2=4.156

assign ( resid  60  and name HB3  )   ( resid  60  and name HA   ) 3.1 1.4 1.6 volume=1505727.000 peak=1250 ppm1=1.561 ppm2=4.664

assign ( resid  35  and name HG1#  )   ( resid  35  and name HA   ) 3.0 1.3 1.5 volume=283211.125 peak=1251 ppm1=0.934 ppm2=4.455

assign ( resid  40  and name HA  )   ( resid  41  and name H   ) 3.0 1.3 1.5 volume=2503484.125 peak=1252 ppm1=4.814 ppm2=9.079

assign ( resid  68  and name HA  )   ( resid  67  and name HB#   ) 4.0 2.0 2.0 volume=678804.625 peak=1253 ppm1=5.589 ppm2=1.380

assign ( resid  60  and name HB3  )   ( resid  60  and name HB2   ) 2.4 0.7 1.2 volume=4627577.562 peak=1254 ppm1=1.547 ppm2=1.813

assign ( resid  34  and name HA  )   ( resid  35  and name H   ) 3.4 1.7 1.7 volume=1224613.375 peak=1255 ppm1=4.594 ppm2=7.765

assign ( resid  55  and name HB3  )   ( resid  55  and name HB2   ) 2.0 0.2 1.0 volume=6873036.688 peak=1256 ppm1=2.118 ppm2=1.953

assign ( resid  17  and name HD1#  )   ( resid  17  and name H   ) 3.8 1.9 1.9 volume=617771.500 peak=1257 ppm1=0.637 ppm2=7.366

assign ( resid  56  and name HG1#  )   ( resid  56  and name HA   ) 3.1 1.4 1.6 volume=49197.750 peak=1258 ppm1=1.028 ppm2=5.340

assign ( resid  76  and name HB#  )   ( resid  76  and name HA   ) 2.6 0.8 1.3 volume=6393775.125 peak=1259 ppm1=1.432 ppm2=4.144

assign ( resid  24  and name HB2  )   ( resid  25  and name H   ) 3.2 1.5 1.6 volume=1663654.000 peak=1260 ppm1=1.481 ppm2=8.277

assign ( resid  2  and name HB  )   ( resid  2  and name HG2#   ) 3.1 1.4 1.6 volume=2562405.750 peak=1261 ppm1=1.512 ppm2=0.211

assign ( resid  75  and name HB2  )   ( resid  75  and name HA   ) 3.5 1.8 1.8 volume=37384.688 peak=1262 ppm1=2.906 ppm2=3.736

assign ( resid  75  and name HA  )   ( resid  78  and name HB   ) 3.5 1.8 1.8 volume=1326911.250 peak=1263 ppm1=3.740 ppm2=2.319

assign ( resid  7  and name HB3  )   ( resid  7  and name HB2   ) 2.4 0.6 1.2 volume=4976136.250 peak=1264 ppm1=3.210 ppm2=3.045

assign ( resid  77  and name HA3  )   ( resid  54  and name HB   ) 4.0 2.0 2.0 volume=710872.500 peak=1265 ppm1=3.642 ppm2=1.548

assign ( resid  92  and name HB3  )   ( resid  91  and name HB2   ) 4.3 2.1 1.7 volume=331138.750 peak=1266 ppm1=3.263 ppm2=1.827

assign ( resid  28  and name HB3  )   ( resid  28  and name HD1#   ) 2.7 0.9 1.3 volume=2487880.875 peak=1267 ppm1=1.963 ppm2=0.933

assign ( resid  42  and name HA  )   ( resid  43  and name HB3   ) 4.2 2.1 1.8 volume=357191.750 peak=1268 ppm1=5.126 ppm2=1.742

assign ( resid  54  and name HG2#  )   ( resid  77  and name HA3   ) 3.5 1.7 1.7 volume=1576583.938 peak=1269 ppm1=0.827 ppm2=3.643

assign ( resid  55  and name HA  )   ( resid  55  and name H   ) 4.0 2.0 2.0 volume=725188.500 peak=1270 ppm1=5.246 ppm2=9.013

assign ( resid  58  and name HB  )   ( resid  58  and name H   ) 3.9 2.0 2.0 volume=718268.750 peak=1271 ppm1=1.899 ppm2=9.256

assign ( resid  8  and name HA2  )   ( resid  44  and name HG1#   ) 3.3 1.6 1.6 volume=697854.625 peak=1272 ppm1=3.734 ppm2=0.764

assign ( resid  59  and name HB2  )   ( resid  64  and name HG2#   ) 3.0 1.2 1.5 volume=4102718.938 peak=1273 ppm1=2.231 ppm2=0.940

assign ( resid  66  and name HA  )   ( resid  67  and name H   ) 2.8 1.1 1.4 volume=4209088.125 peak=1274 ppm1=5.488 ppm2=8.853

assign ( resid  55  and name HB2  )   ( resid  55  and name HA   ) 3.1 1.3 1.5 volume=3040140.375 peak=1275 ppm1=1.960 ppm2=5.249

assign ( resid  28  and name HA  )   ( resid  28  and name HG   ) 2.9 1.2 1.5 volume=3228105.500 peak=1276 ppm1=4.190 ppm2=1.556

assign ( resid  40  and name HB#  )   ( resid  40  and name HA   ) 3.0 1.3 1.5 volume=13815.125 peak=1277 ppm1=0.685 ppm2=4.821

assign ( resid  6  and name HG2#  )   ( resid  42  and name HB   ) 3.3 1.5 1.6 volume=1688605.000 peak=1278 ppm1=0.700 ppm2=2.253

assign ( resid  13  and name HG12  )   ( resid  13  and name HD1#   ) 2.8 1.0 1.4 volume=4585246.125 peak=1279 ppm1=1.410 ppm2=0.491

assign ( resid  57  and name HB  )   ( resid  41  and name HB3   ) 3.6 1.8 1.8 volume=23685.562 peak=1280 ppm1=3.970 ppm2=3.047

assign ( resid  46  and name HA  )   ( resid  46  and name HB   ) 3.0 1.3 1.5 volume=2681354.250 peak=1281 ppm1=4.797 ppm2=4.153

assign ( resid  71  and name HB3  )   ( resid  73  and name H   ) 3.4 1.7 1.7 volume=1350155.500 peak=1282 ppm1=2.504 ppm2=9.118

assign ( resid  64  and name HG2#  )   ( resid  57  and name HB   ) 3.6 1.8 1.8 volume=112304.250 peak=1283 ppm1=0.942 ppm2=3.972

assign ( resid  77  and name HA3  )   ( resid  71  and name HB3   ) 3.3 1.6 1.7 volume=1891903.500 peak=1284 ppm1=3.636 ppm2=2.527

assign ( resid  32  and name HA  )   ( resid  35  and name HG1#   ) 3.6 1.8 1.8 volume=1112057.500 peak=1285 ppm1=5.026 ppm2=0.962

assign ( resid  32  and name HB3  )   ( resid  32  and name H   ) 3.5 1.8 1.8 volume=1003977.625 peak=1286 ppm1=3.125 ppm2=7.686

assign ( resid  66  and name HA  )   ( resid  57  and name HG1   ) 3.6 1.8 1.8 volume=1242773.125 peak=1287 ppm1=5.496 ppm2=1.126

assign ( resid  4  and name HA  )   ( resid  39  and name HG2#   ) 3.0 1.3 1.5 volume=1179661.625 peak=1288 ppm1=4.951 ppm2=0.683

assign ( resid  17  and name HG13  )   ( resid  17  and name HB   ) 3.1 1.4 1.5 volume=998230.625 peak=1289 ppm1=0.945 ppm2=1.812

assign ( resid  56  and name HA  )   ( resid  40  and name HB#   ) 3.6 1.8 1.8 volume=1148005.000 peak=1290 ppm1=5.341 ppm2=0.718

assign ( resid  21  and name HA  )   ( resid  17  and name HG2#   ) 3.0 1.3 1.5 volume=2720632.250 peak=1291 ppm1=3.268 ppm2=0.743

assign ( resid  78  and name HA  )   ( resid  81  and name H   ) 3.4 1.7 1.7 volume=1354938.250 peak=1292 ppm1=3.672 ppm2=8.614

assign ( resid  6  and name HG2#  )   ( resid  42  and name HB   ) 2.9 1.2 1.4 volume=1521932.250 peak=1293 ppm1=0.700 ppm2=2.253

assign ( resid  21  and name HA  )   ( resid  17  and name HG2#   ) 2.8 1.0 1.4 volume=1952785.062 peak=1294 ppm1=3.268 ppm2=0.743

assign ( resid  13  and name HA  )   ( resid  13  and name HD1#   ) 2.7 1.0 1.4 volume=14129.375 peak=1295 ppm1=3.969 ppm2=0.508

assign ( resid  60  and name HB2  )   ( resid  60  and name HB3   ) 2.8 1.1 1.4 volume=2430708.000 peak=1296 ppm1=1.801 ppm2=1.556

assign ( resid  74  and name HB2  )   ( resid  75  and name H   ) 3.9 2.0 2.0 volume=703126.250 peak=1297 ppm1=1.202 ppm2=7.465

assign ( resid  20  and name HA  )   ( resid  20  and name HB2   ) 3.0 1.3 1.5 volume=1277365.188 peak=1298 ppm1=4.105 ppm2=3.027

assign ( resid  75  and name HB3  )   ( resid  75  and name HE#   ) 3.7 1.8 1.8 volume=831189.750 peak=1299 ppm1=2.571 ppm2=6.295

assign ( resid  65  and name HB2  )   ( resid  58  and name HB   ) 3.3 1.6 1.7 volume=514353.312 peak=1300 ppm1=1.403 ppm2=1.897

assign ( resid  57  and name HG1  )   ( resid  57  and name H   ) 3.6 1.8 1.8 volume=949268.000 peak=1301 ppm1=1.130 ppm2=8.859

assign ( resid  6  and name HA  )   ( resid  6  and name HB   ) 3.5 1.8 1.8 volume=1438514.812 peak=1302 ppm1=4.919 ppm2=1.715

assign ( resid  13  and name HA  )   ( resid  13  and name HG13   ) 3.0 1.3 1.5 volume=1105008.500 peak=1303 ppm1=3.976 ppm2=1.268

assign ( resid  39  and name HG1#  )   ( resid  40  and name H   ) 3.2 1.5 1.6 volume=1741574.875 peak=1304 ppm1=0.378 ppm2=8.389

assign ( resid  13  and name HD1#  )   ( resid  13  and name HB   ) 3.4 1.7 1.7 volume=588455.938 peak=1305 ppm1=0.503 ppm2=2.109

assign ( resid  60  and name HB3  )   ( resid  61  and name H   ) 3.2 1.4 1.6 volume=1670574.750 peak=1306 ppm1=1.542 ppm2=8.109

assign ( resid  65  and name HA  )   ( resid  65  and name HD2#   ) 2.7 1.0 1.4 volume=2064738.125 peak=1307 ppm1=4.583 ppm2=0.764

assign ( resid  65  and name HB2  )   ( resid  56  and name HG2#   ) 3.3 1.6 1.6 volume=1548980.250 peak=1308 ppm1=1.365 ppm2=0.869

assign ( resid  53  and name HB2  )   ( resid  53  and name HA   ) 3.4 1.7 1.7 volume=1581856.375 peak=1309 ppm1=1.780 ppm2=5.165

assign ( resid  32  and name HD#  )   ( resid  32  and name HB3   ) 3.6 1.8 1.8 volume=59807.375 peak=1310 ppm1=7.190 ppm2=3.127

assign ( resid  20  and name HA  )   ( resid  20  and name H   ) 3.2 1.5 1.6 volume=1726175.125 peak=1311 ppm1=4.111 ppm2=7.844

assign ( resid  42  and name HA  )   ( resid  56  and name HA   ) 2.8 1.1 1.4 volume=1915872.812 peak=1312 ppm1=5.125 ppm2=5.340

assign ( resid  28  and name HA  )   ( resid  28  and name HD1#   ) 2.5 0.7 1.2 volume=3915876.438 peak=1313 ppm1=4.187 ppm2=0.926

assign ( resid  83  and name HA  )   ( resid  83  and name H   ) 3.1 1.4 1.6 volume=2536842.750 peak=1314 ppm1=4.488 ppm2=7.613

assign ( resid  73  and name HB2  )   ( resid  73  and name H   ) 3.4 1.7 1.7 volume=1216961.750 peak=1315 ppm1=2.489 ppm2=9.139

assign ( resid  4  and name HB3  )   ( resid  4  and name HB2   ) 2.5 0.7 1.2 volume=4016175.125 peak=1316 ppm1=3.047 ppm2=2.557

assign ( resid  20  and name HB2  )   ( resid  17  and name HG13   ) 3.6 1.8 1.8 volume=981741.000 peak=1317 ppm1=3.026 ppm2=0.955

assign ( resid  41  and name HA  )   ( resid  41  and name H   ) 3.6 1.8 1.8 volume=876901.625 peak=1318 ppm1=5.090 ppm2=9.087

assign ( resid  17  and name HD1#  )   ( resid  17  and name HB   ) 3.0 1.3 1.5 volume=2839944.875 peak=1319 ppm1=0.637 ppm2=1.808

assign ( resid  58  and name HB  )   ( resid  56  and name HG2#   ) 3.3 1.6 1.7 volume=384314.688 peak=1320 ppm1=1.903 ppm2=0.858

assign ( resid  81  and name HA  )   ( resid  81  and name H   ) 3.1 1.4 1.6 volume=1955788.750 peak=1321 ppm1=3.674 ppm2=8.618

assign ( resid  57  and name HA  )   ( resid  57  and name HG1   ) 3.4 1.7 1.7 volume=163228.250 peak=1322 ppm1=5.276 ppm2=1.130

assign ( resid  65  and name HB3  )   ( resid  65  and name HA   ) 3.6 1.8 1.8 volume=843729.875 peak=1323 ppm1=1.800 ppm2=4.584

assign ( resid  75  and name HD#  )   ( resid  75  and name HA   ) 3.6 1.8 1.8 volume=1222943.625 peak=1324 ppm1=6.843 ppm2=3.736

assign ( resid  74  and name HA  )   ( resid  77  and name HA3   ) 3.7 1.8 1.8 volume=792171.875 peak=1325 ppm1=3.827 ppm2=3.660

assign ( resid  4  and name HB2  )   ( resid  6  and name HD1#   ) 3.3 1.5 1.6 volume=1641171.250 peak=1326 ppm1=2.563 ppm2=0.819

assign ( resid  90  and name HA  )   ( resid  93  and name HB2   ) 3.1 1.4 1.5 volume=3353046.938 peak=1327 ppm1=3.867 ppm2=2.003

assign ( resid  56  and name HG2#  )   ( resid  56  and name HA   ) 3.1 1.4 1.6 volume=3061917.688 peak=1328 ppm1=0.876 ppm2=5.338

assign ( resid  23  and name HG2  )   ( resid  23  and name HA   ) 3.4 1.7 1.7 volume=1001932.625 peak=1329 ppm1=2.238 ppm2=3.893

assign ( resid  92  and name HB3  )   ( resid  92  and name H   ) 3.0 1.3 1.5 volume=2493690.125 peak=1330 ppm1=3.269 ppm2=7.840

assign ( resid  40  and name HA  )   ( resid  57  and name H   ) 4.0 2.0 2.0 volume=656003.000 peak=1331 ppm1=4.814 ppm2=8.843

assign ( resid  39  and name HG1#  )   ( resid  39  and name H   ) 3.7 1.9 1.9 volume=728387.875 peak=1332 ppm1=0.384 ppm2=8.235

assign ( resid  75  and name HA  )   ( resid  74  and name HB2   ) 3.9 1.9 1.9 volume=847792.625 peak=1333 ppm1=3.738 ppm2=1.185

assign ( resid  35  and name HG1#  )   ( resid  32  and name HB2   ) 3.6 1.8 1.8 volume=13711.438 peak=1334 ppm1=0.959 ppm2=3.268

assign ( resid  58  and name HA  )   ( resid  39  and name HG2#   ) 2.8 1.1 1.4 volume=4646197.375 peak=1335 ppm1=5.056 ppm2=0.726

assign ( resid  89  and name HB  )   ( resid  89  and name HA   ) 3.2 1.5 1.6 volume=2151293.750 peak=1336 ppm1=2.029 ppm2=3.781

assign ( resid  66  and name HB3  )   ( resid  66  and name HA   ) 3.0 1.2 1.5 volume=1792974.125 peak=1337 ppm1=1.700 ppm2=5.494

assign ( resid  75  and name HA  )   ( resid  74  and name HD2#   ) 3.4 1.7 1.7 volume=1728575.000 peak=1338 ppm1=3.740 ppm2=0.725

assign ( resid  73  and name HA  )   ( resid  73  and name HB2   ) 3.2 1.5 1.6 volume=393105.375 peak=1339 ppm1=4.796 ppm2=2.494

assign ( resid  41  and name HB3  )   ( resid  41  and name H   ) 3.6 1.8 1.8 volume=990461.875 peak=1340 ppm1=3.075 ppm2=9.080

assign ( resid  56  and name HB  )   ( resid  56  and name H   ) 3.4 1.7 1.7 volume=1281915.125 peak=1341 ppm1=1.862 ppm2=8.995

assign ( resid  25  and name HG2#  )   ( resid  25  and name HA   ) 3.1 1.4 1.6 volume=2938351.000 peak=1342 ppm1=1.011 ppm2=4.096

assign ( resid  80  and name HA  )   ( resid  80  and name HB3   ) 3.2 1.5 1.6 volume=2453872.750 peak=1343 ppm1=4.166 ppm2=1.962

assign ( resid  66  and name HB3  )   ( resid  64  and name HG2#   ) 3.4 1.6 1.7 volume=1750908.250 peak=1344 ppm1=1.702 ppm2=0.938

assign ( resid  45  and name HB3  )   ( resid  45  and name H   ) 3.5 1.8 1.8 volume=1307248.750 peak=1345 ppm1=1.714 ppm2=9.141

assign ( resid  41  and name HA  )   ( resid  42  and name HG1#   ) 3.6 1.8 1.8 volume=1089820.500 peak=1346 ppm1=5.088 ppm2=1.025

assign ( resid  74  and name HB3  )   ( resid  74  and name HD2#   ) 3.2 1.4 1.6 volume=2787865.875 peak=1347 ppm1=1.479 ppm2=0.737

assign ( resid  31  and name HB2  )   ( resid  31  and name HA   ) 3.3 1.6 1.7 volume=630374.500 peak=1348 ppm1=3.087 ppm2=4.506

assign ( resid  7  and name HB2  )   ( resid  7  and name HB3   ) 2.6 0.9 1.3 volume=5260043.250 peak=1349 ppm1=3.065 ppm2=3.267

assign ( resid  34  and name HA  )   ( resid  34  and name HB3   ) 2.7 1.0 1.4 volume=3662420.875 peak=1350 ppm1=4.585 ppm2=2.686

assign ( resid  19  and name HA  )   ( resid  19  and name HB2   ) 3.3 1.5 1.6 volume=2354595.188 peak=1351 ppm1=4.309 ppm2=2.784

assign ( resid  60  and name HB3  )   ( resid  60  and name H   ) 3.4 1.7 1.7 volume=559293.875 peak=1352 ppm1=1.561 ppm2=8.509

assign ( resid  57  and name HG1  )   ( resid  66  and name HB3   ) 3.4 1.7 1.7 volume=1702035.438 peak=1353 ppm1=1.141 ppm2=1.700

assign ( resid  76  and name HA  )   ( resid  80  and name H   ) 4.1 2.1 1.9 volume=412418.750 peak=1354 ppm1=4.144 ppm2=8.112

assign ( resid  75  and name HA  )   ( resid  76  and name H   ) 3.8 1.9 1.9 volume=797431.250 peak=1355 ppm1=3.737 ppm2=7.606

assign ( resid  76  and name HA  )   ( resid  79  and name HB3   ) 3.4 1.6 1.7 volume=1695562.625 peak=1356 ppm1=4.146 ppm2=2.715

assign ( resid  21  and name HB  )   ( resid  18  and name HA   ) 3.1 1.4 1.5 volume=3236534.125 peak=1357 ppm1=1.805 ppm2=3.558

assign ( resid  89  and name HB  )   ( resid  89  and name HA   ) 3.5 1.7 1.7 volume=1646486.000 peak=1358 ppm1=2.021 ppm2=3.782

assign ( resid  90  and name HA  )   ( resid  90  and name HB3   ) 3.0 1.3 1.5 volume=3607746.000 peak=1359 ppm1=3.867 ppm2=1.835

assign ( resid  78  and name HA  )   ( resid  81  and name HB   ) 3.0 1.3 1.5 volume=2642919.000 peak=1360 ppm1=3.675 ppm2=2.170

assign ( resid  14  and name HA  )   ( resid  14  and name H   ) 3.4 1.7 1.7 volume=1620485.625 peak=1361 ppm1=4.421 ppm2=6.990

assign ( resid  82  and name HB2  )   ( resid  82  and name H   ) 3.1 1.4 1.6 volume=2096395.875 peak=1362 ppm1=2.527 ppm2=8.684

assign ( resid  18  and name HA  )   ( resid  21  and name HB   ) 2.9 1.2 1.5 volume=3313054.625 peak=1363 ppm1=3.558 ppm2=1.805

assign ( resid  25  and name HG2#  )   ( resid  4  and name HD#   ) 2.9 1.2 1.5 volume=3223429.875 peak=1364 ppm1=0.999 ppm2=7.048

assign ( resid  2  and name HG2#  )   ( resid  25  and name HG2#   ) 3.4 1.7 1.7 volume=1293635.625 peak=1365 ppm1=0.209 ppm2=0.992

assign ( resid  60  and name HB3  )   ( resid  35  and name HG1#   ) 2.7 1.0 1.4 volume=4931017.625 peak=1366 ppm1=1.543 ppm2=0.912

assign ( resid  6  and name HA  )   ( resid  6  and name H   ) 3.9 1.9 1.9 volume=370033.625 peak=1367 ppm1=4.913 ppm2=8.592

assign ( resid  88  and name HB3  )   ( resid  65  and name HD2#   ) 3.5 1.7 1.7 volume=1647401.438 peak=1368 ppm1=2.237 ppm2=0.750

assign ( resid  20  and name HB3  )   ( resid  20  and name H   ) 3.0 1.3 1.5 volume=3142668.375 peak=1369 ppm1=3.272 ppm2=7.830

assign ( resid  2  and name HA  )   ( resid  2  and name HG2#   ) 3.0 1.2 1.5 volume=1834170.125 peak=1370 ppm1=4.325 ppm2=0.210

assign ( resid  83  and name HB2  )   ( resid  84  and name H   ) 3.0 1.3 1.5 volume=2532094.750 peak=1371 ppm1=3.019 ppm2=7.855

assign ( resid  10  and name HA  )   ( resid  10  and name H   ) 4.1 2.1 1.9 volume=340134.750 peak=1372 ppm1=4.383 ppm2=8.426

assign ( resid  6  and name HG2#  )   ( resid  6  and name HA   ) 3.0 1.3 1.5 volume=2570576.000 peak=1373 ppm1=0.701 ppm2=4.913

assign ( resid  6  and name HA  )   ( resid  7  and name HB2   ) 4.0 2.0 2.0 volume=504639.250 peak=1374 ppm1=4.901 ppm2=3.054

assign ( resid  27  and name HD3  )   ( resid  27  and name HA   ) 3.2 1.5 1.6 volume=92626.000 peak=1375 ppm1=1.725 ppm2=4.252

assign ( resid  63  and name HB  )   ( resid  63  and name HG1#   ) 3.1 1.4 1.6 volume=2151747.125 peak=1376 ppm1=1.828 ppm2=0.414

assign ( resid  75  and name HA  )   ( resid  75  and name HE#   ) 3.6 1.8 1.8 volume=904871.250 peak=1377 ppm1=3.737 ppm2=6.291

assign ( resid  58  and name HA  )   ( resid  58  and name H   ) 3.7 1.9 1.9 volume=965183.000 peak=1378 ppm1=5.047 ppm2=9.253

assign ( resid  19  and name HB2  )   ( resid  19  and name H   ) 3.4 1.6 1.7 volume=1386744.375 peak=1379 ppm1=2.789 ppm2=8.611

assign ( resid  45  and name HA  )   ( resid  46  and name H   ) 3.0 1.3 1.5 volume=3208756.500 peak=1380 ppm1=4.917 ppm2=8.275

assign ( resid  78  and name HA  )   ( resid  54  and name HG2#   ) 2.9 1.2 1.5 volume=3222420.375 peak=1381 ppm1=3.672 ppm2=0.751

assign ( resid  20  and name HB2  )   ( resid  17  and name HA   ) 3.2 1.5 1.6 volume=763201.750 peak=1382 ppm1=3.031 ppm2=3.746

assign ( resid  4  and name HB2  )   ( resid  4  and name H   ) 3.7 1.8 1.8 volume=810712.375 peak=1383 ppm1=2.557 ppm2=8.908

assign ( resid  3  and name HA  )   ( resid  3  and name HB2   ) 3.2 1.4 1.6 volume=2002270.250 peak=1384 ppm1=4.539 ppm2=1.707

assign ( resid  19  and name HA  )   ( resid  19  and name H   ) 3.2 1.5 1.6 volume=1855958.250 peak=1385 ppm1=4.312 ppm2=8.609

assign ( resid  86  and name HA  )   ( resid  87  and name H   ) 3.8 1.9 1.9 volume=827249.125 peak=1386 ppm1=3.666 ppm2=7.634

assign ( resid  40  and name HB#  )   ( resid  40  and name H   ) 3.2 1.5 1.6 volume=1882048.125 peak=1387 ppm1=0.678 ppm2=8.397

assign ( resid  61  and name HB3  )   ( resid  62  and name HA   ) 3.2 1.5 1.6 volume=1941818.125 peak=1388 ppm1=1.818 ppm2=4.700

assign ( resid  35  and name HA  )   ( resid  35  and name HG1#   ) 2.7 1.0 1.4 volume=5367303.125 peak=1389 ppm1=4.455 ppm2=0.934

assign ( resid  64  and name HB  )   ( resid  63  and name HA   ) 4.3 2.2 1.7 volume=208897.125 peak=1390 ppm1=3.882 ppm2=4.294

assign ( resid  21  and name HB  )   ( resid  21  and name HA   ) 3.5 1.8 1.8 volume=32410.688 peak=1391 ppm1=1.804 ppm2=3.274

assign ( resid  12  and name HA  )   ( resid  12  and name HG1   ) 2.8 1.1 1.4 volume=3552952.000 peak=1392 ppm1=4.183 ppm2=1.115

assign ( resid  39  and name HA  )   ( resid  39  and name HG1#   ) 3.0 1.3 1.5 volume=2624067.250 peak=1393 ppm1=4.494 ppm2=0.382

assign ( resid  4  and name HB2  )   ( resid  4  and name HB3   ) 3.1 1.4 1.6 volume=2669867.500 peak=1394 ppm1=2.562 ppm2=3.042

assign ( resid  26  and name HA3  )   ( resid  26  and name HA2   ) 2.4 0.7 1.2 volume=4575400.000 peak=1395 ppm1=4.321 ppm2=3.944

assign ( resid  36  and name HA  )   ( resid  36  and name HG2   ) 2.8 1.1 1.4 volume=4077936.750 peak=1396 ppm1=4.428 ppm2=1.900

assign ( resid  2  and name HA  )   ( resid  2  and name HD1#   ) 3.0 1.3 1.5 volume=3336888.625 peak=1397 ppm1=4.322 ppm2=0.676

assign ( resid  70  and name HA  )   ( resid  70  and name H   ) 3.7 1.8 1.8 volume=1003918.500 peak=1398 ppm1=5.463 ppm2=8.549

assign ( resid  18  and name HA  )   ( resid  6  and name HD1#   ) 3.0 1.3 1.5 volume=2817263.000 peak=1399 ppm1=3.561 ppm2=0.795

assign ( resid  81  and name HA  )   ( resid  80  and name HB3   ) 3.7 1.9 1.9 volume=104448.562 peak=1400 ppm1=3.656 ppm2=1.951

assign ( resid  57  and name HA  )   ( resid  56  and name HG2#   ) 3.6 1.8 1.8 volume=1200864.000 peak=1401 ppm1=5.275 ppm2=0.893

assign ( resid  75  and name HE#  )   ( resid  75  and name HB2   ) 3.9 1.9 1.9 volume=52097.312 peak=1402 ppm1=6.288 ppm2=2.897

assign ( resid  75  and name HB2  )   ( resid  75  and name HE#   ) 3.7 1.9 1.9 volume=710236.750 peak=1403 ppm1=2.897 ppm2=6.288

assign ( resid  74  and name HB3  )   ( resid  74  and name HB2   ) 2.3 0.6 1.1 volume=6428777.125 peak=1404 ppm1=1.471 ppm2=1.204

assign ( resid  42  and name HG1#  )   ( resid  42  and name HB   ) 3.0 1.3 1.5 volume=2743053.500 peak=1405 ppm1=1.010 ppm2=2.234

assign ( resid  82  and name HB2  )   ( resid  82  and name HD21   ) 3.9 1.9 1.9 volume=480005.625 peak=1406 ppm1=2.529 ppm2=7.317

assign ( resid  86  and name HB3  )   ( resid  83  and name HA   ) 3.4 1.7 1.7 volume=1790378.312 peak=1407 ppm1=2.113 ppm2=4.488

assign ( resid  60  and name HB2  )   ( resid  60  and name H   ) 3.7 1.9 1.9 volume=975491.625 peak=1408 ppm1=1.797 ppm2=8.496

assign ( resid  13  and name HG12  )   ( resid  13  and name HD1#   ) 2.6 0.9 1.3 volume=2644194.875 peak=1409 ppm1=1.411 ppm2=0.505

assign ( resid  89  and name HB  )   ( resid  89  and name H   ) 3.4 1.6 1.7 volume=1404486.875 peak=1410 ppm1=2.028 ppm2=8.561

assign ( resid  66  and name HB3  )   ( resid  66  and name HG2   ) 2.8 1.1 1.4 volume=4346544.250 peak=1411 ppm1=1.704 ppm2=1.469

assign ( resid  79  and name HB3  )   ( resid  79  and name HA   ) 3.0 1.3 1.5 volume=125172.938 peak=1412 ppm1=2.708 ppm2=4.326

assign ( resid  8  and name HA2  )   ( resid  9  and name H   ) 3.6 1.8 1.8 volume=849039.000 peak=1413 ppm1=3.757 ppm2=8.672

assign ( resid  65  and name HB2  )   ( resid  81  and name HD1#   ) 3.1 1.4 1.6 volume=2144857.500 peak=1414 ppm1=1.370 ppm2=0.720

assign ( resid  75  and name HA  )   ( resid  74  and name HD2#   ) 3.3 1.6 1.7 volume=1812306.375 peak=1415 ppm1=3.740 ppm2=0.725

assign ( resid  4  and name HA  )   ( resid  4  and name HB2   ) 3.3 1.5 1.6 volume=2143078.875 peak=1416 ppm1=4.937 ppm2=2.555

assign ( resid  13  and name HG2#  )   ( resid  13  and name HD1#   ) 2.6 0.8 1.3 volume=902.688 peak=1417 ppm1=0.761 ppm2=0.505

assign ( resid  39  and name HB  )   ( resid  39  and name HG1#   ) 2.6 0.9 1.3 volume=6486229.500 peak=1418 ppm1=1.754 ppm2=0.396

assign ( resid  70  and name HA  )   ( resid  70  and name HB3   ) 3.1 1.4 1.5 volume=2327501.000 peak=1419 ppm1=5.465 ppm2=1.603

assign ( resid  74  and name HB3  )   ( resid  75  and name H   ) 3.7 1.9 1.9 volume=938269.375 peak=1420 ppm1=1.474 ppm2=7.465

assign ( resid  13  and name HD1#  )   ( resid  13  and name HG13   ) 2.7 1.0 1.4 volume=2036683.000 peak=1421 ppm1=0.503 ppm2=1.230

assign ( resid  67  and name HA  )   ( resid  68  and name HG2   ) 3.9 1.9 1.9 volume=572103.750 peak=1422 ppm1=4.792 ppm2=1.945

assign ( resid  92  and name HB3  )   ( resid  92  and name HA   ) 3.6 1.8 1.8 volume=167224.625 peak=1423 ppm1=3.231 ppm2=4.511

assign ( resid  21  and name HB  )   ( resid  21  and name H   ) 3.2 1.5 1.6 volume=2191940.250 peak=1424 ppm1=1.806 ppm2=8.156

assign ( resid  11  and name HB2  )   ( resid  11  and name HA   ) 3.1 1.3 1.5 volume=2339053.750 peak=1425 ppm1=1.505 ppm2=4.408

assign ( resid  84  and name HB3  )   ( resid  84  and name H   ) 3.5 1.8 1.8 volume=1350184.125 peak=1426 ppm1=2.045 ppm2=7.852

assign ( resid  57  and name HG1  )   ( resid  66  and name HA   ) 3.7 1.9 1.9 volume=54954.000 peak=1427 ppm1=1.126 ppm2=5.496

assign ( resid  87  and name HA  )   ( resid  87  and name H   ) 3.1 1.4 1.6 volume=2457346.625 peak=1428 ppm1=3.933 ppm2=7.649

assign ( resid  22  and name HA  )   ( resid  4  and name HD#   ) 3.3 1.6 1.7 volume=98886.000 peak=1429 ppm1=2.923 ppm2=7.047

assign ( resid  81  and name HA  )   ( resid  81  and name HB   ) 3.0 1.2 1.5 volume=2824156.250 peak=1430 ppm1=3.674 ppm2=2.183

assign ( resid  28  and name HB3  )   ( resid  28  and name HA   ) 3.0 1.2 1.5 volume=1300741.875 peak=1431 ppm1=1.966 ppm2=4.182

assign ( resid  90  and name HA  )   ( resid  90  and name HB3   ) 2.9 1.2 1.5 volume=3129806.625 peak=1432 ppm1=3.867 ppm2=1.835

assign ( resid  17  and name HG2#  )   ( resid  17  and name H   ) 3.5 1.7 1.7 volume=1138046.375 peak=1433 ppm1=0.762 ppm2=7.372

assign ( resid  58  and name HA  )   ( resid  58  and name HB   ) 3.6 1.8 1.8 volume=639558.625 peak=1434 ppm1=5.052 ppm2=1.896

assign ( resid  58  and name HB  )   ( resid  57  and name HA   ) 4.2 2.1 1.8 volume=43564.562 peak=1435 ppm1=1.889 ppm2=5.272

assign ( resid  57  and name HB  )   ( resid  64  and name HG2#   ) 3.4 1.6 1.7 volume=1769002.000 peak=1436 ppm1=3.972 ppm2=0.942

assign ( resid  22  and name HB2  )   ( resid  22  and name HA   ) 3.4 1.7 1.7 volume=50792.125 peak=1437 ppm1=1.763 ppm2=2.927

assign ( resid  11  and name HB3  )   ( resid  11  and name HA   ) 3.1 1.4 1.5 volume=2199278.125 peak=1438 ppm1=1.673 ppm2=4.408

assign ( resid  82  and name HA  )   ( resid  28  and name HD1#   ) 3.3 1.5 1.6 volume=1691191.000 peak=1439 ppm1=4.321 ppm2=0.946

assign ( resid  80  and name HA  )   ( resid  83  and name H   ) 3.6 1.8 1.8 volume=866748.625 peak=1440 ppm1=4.168 ppm2=7.608

assign ( resid  44  and name HA  )   ( resid  44  and name HG1#   ) 2.9 1.2 1.4 volume=179876.625 peak=1441 ppm1=5.013 ppm2=0.787

assign ( resid  77  and name HA3  )   ( resid  80  and name H   ) 3.8 1.9 1.9 volume=459270.500 peak=1442 ppm1=3.638 ppm2=8.103

assign ( resid  34  and name HA  )   ( resid  34  and name HB2   ) 2.7 1.0 1.4 volume=3179699.375 peak=1443 ppm1=4.586 ppm2=2.737

assign ( resid  19  and name HA  )   ( resid  22  and name H   ) 3.5 1.7 1.7 volume=1098083.875 peak=1444 ppm1=4.307 ppm2=7.857

assign ( resid  26  and name HA2  )   ( resid  25  and name H   ) 3.9 2.0 2.0 volume=155346.000 peak=1445 ppm1=3.946 ppm2=8.269

assign ( resid  86  and name HA  )   ( resid  86  and name HB3   ) 2.8 1.1 1.4 volume=4342913.250 peak=1446 ppm1=3.670 ppm2=2.110

assign ( resid  68  and name HA  )   ( resid  67  and name HB#   ) 3.7 1.8 1.8 volume=1022698.750 peak=1447 ppm1=5.589 ppm2=1.380

assign ( resid  39  and name HA  )   ( resid  39  and name HG2#   ) 3.1 1.4 1.6 volume=2088087.625 peak=1448 ppm1=4.493 ppm2=0.715

assign ( resid  51  and name HB#  )   ( resid  52  and name HA   ) 2.9 1.2 1.5 volume=3285561.000 peak=1449 ppm1=1.229 ppm2=4.689

assign ( resid  11  and name HA  )   ( resid  11  and name HB3   ) 3.1 1.4 1.6 volume=51527.125 peak=1450 ppm1=4.408 ppm2=1.673

assign ( resid  56  and name HA  )   ( resid  56  and name HG2#   ) 2.9 1.2 1.5 volume=3474161.500 peak=1451 ppm1=5.338 ppm2=0.876

assign ( resid  63  and name HB  )   ( resid  63  and name HG2#   ) 3.0 1.3 1.5 volume=2745154.625 peak=1452 ppm1=1.829 ppm2=0.648

assign ( resid  27  and name HA  )   ( resid  27  and name HD3   ) 3.0 1.3 1.5 volume=1753485.625 peak=1453 ppm1=4.252 ppm2=1.725

assign ( resid  1  and name HA  )   ( resid  2  and name H   ) 3.3 1.6 1.6 volume=1358157.375 peak=1454 ppm1=4.235 ppm2=8.796

assign ( resid  84  and name HB3  )   ( resid  81  and name HA   ) 3.7 1.8 1.8 volume=988978.625 peak=1455 ppm1=2.045 ppm2=3.669

assign ( resid  27  and name HA  )   ( resid  27  and name H   ) 3.2 1.5 1.6 volume=1753878.000 peak=1456 ppm1=4.257 ppm2=7.080

assign ( resid  65  and name HB2  )   ( resid  65  and name HA   ) 3.5 1.7 1.7 volume=1331838.625 peak=1457 ppm1=1.374 ppm2=4.591

assign ( resid  75  and name HB3  )   ( resid  75  and name HD#   ) 4.2 2.1 1.8 volume=476362.750 peak=1458 ppm1=2.573 ppm2=6.857

assign ( resid  22  and name HA  )   ( resid  26  and name H   ) 3.9 1.9 1.9 volume=752743.250 peak=1459 ppm1=2.921 ppm2=7.664

assign ( resid  71  and name HB2  )   ( resid  71  and name HD21   ) 3.3 1.5 1.6 volume=1627283.250 peak=1460 ppm1=2.570 ppm2=7.088

assign ( resid  39  and name HB  )   ( resid  39  and name HG2#   ) 2.6 0.9 1.3 volume=2971439.625 peak=1461 ppm1=1.755 ppm2=0.732

assign ( resid  17  and name HD1#  )   ( resid  14  and name H   ) 3.1 1.4 1.6 volume=2132962.375 peak=1462 ppm1=0.642 ppm2=6.999

assign ( resid  83  and name HA  )   ( resid  86  and name HB3   ) 3.1 1.4 1.6 volume=2499303.250 peak=1463 ppm1=4.488 ppm2=2.113

assign ( resid  26  and name HA3  )   ( resid  26  and name H   ) 3.2 1.5 1.6 volume=1822391.250 peak=1464 ppm1=4.319 ppm2=7.663

assign ( resid  80  and name HB2  )   ( resid  80  and name HA   ) 3.0 1.3 1.5 volume=2491116.625 peak=1465 ppm1=1.541 ppm2=4.173

assign ( resid  92  and name HB2  )   ( resid  89  and name HA   ) 3.5 1.7 1.7 volume=916514.250 peak=1466 ppm1=3.041 ppm2=3.773

assign ( resid  26  and name HA3  )   ( resid  27  and name H   ) 4.1 2.0 1.9 volume=199343.000 peak=1467 ppm1=4.325 ppm2=7.059

assign ( resid  88  and name HB3  )   ( resid  89  and name H   ) 3.6 1.8 1.8 volume=1093261.625 peak=1468 ppm1=2.246 ppm2=8.564

assign ( resid  89  and name HA  )   ( resid  90  and name H   ) 3.4 1.7 1.7 volume=1630558.750 peak=1469 ppm1=3.782 ppm2=7.822

assign ( resid  6  and name HB  )   ( resid  6  and name HG2#   ) 2.7 1.0 1.3 volume=3954006.625 peak=1470 ppm1=1.732 ppm2=0.716

assign ( resid  29  and name HA  )   ( resid  32  and name H   ) 3.7 1.8 1.8 volume=1032937.125 peak=1471 ppm1=3.226 ppm2=7.683

assign ( resid  53  and name HA  )   ( resid  53  and name H   ) 3.7 1.8 1.8 volume=680002.375 peak=1472 ppm1=5.175 ppm2=9.159

assign ( resid  29  and name HA  )   ( resid  29  and name HB2   ) 3.1 1.4 1.6 volume=2320336.750 peak=1473 ppm1=3.224 ppm2=1.988

assign ( resid  91  and name HA  )   ( resid  91  and name HB2   ) 2.7 1.0 1.4 volume=5094329.125 peak=1474 ppm1=4.074 ppm2=1.815

assign ( resid  25  and name HA  )   ( resid  25  and name HG2#   ) 3.0 1.3 1.5 volume=2806845.625 peak=1475 ppm1=4.096 ppm2=1.011

assign ( resid  56  and name HA  )   ( resid  57  and name H   ) 2.9 1.2 1.4 volume=3755056.125 peak=1476 ppm1=5.333 ppm2=8.854

assign ( resid  22  and name HA  )   ( resid  4  and name HD#   ) 3.5 1.8 1.8 volume=1025845.250 peak=1477 ppm1=2.927 ppm2=7.046

assign ( resid  23  and name HB2  )   ( resid  23  and name HA   ) 2.9 1.2 1.4 volume=1491226.312 peak=1478 ppm1=2.034 ppm2=3.891

assign ( resid  62  and name HB2  )   ( resid  62  and name HA   ) 2.6 0.9 1.3 volume=6012825.875 peak=1479 ppm1=2.872 ppm2=4.749

assign ( resid  31  and name HA  )   ( resid  32  and name HD#   ) 3.1 1.3 1.5 volume=2440109.250 peak=1480 ppm1=4.505 ppm2=7.180

assign ( resid  2  and name HB  )   ( resid  2  and name HD1#   ) 2.7 1.0 1.4 volume=3326548.500 peak=1481 ppm1=1.511 ppm2=0.670

assign ( resid  57  and name HB  )   ( resid  57  and name HA   ) 3.5 1.8 1.8 volume=1310034.312 peak=1482 ppm1=3.973 ppm2=5.280

assign ( resid  73  and name HA  )   ( resid  74  and name HB2   ) 3.4 1.7 1.7 volume=1681147.875 peak=1483 ppm1=4.794 ppm2=1.218

assign ( resid  70  and name HB2  )   ( resid  70  and name HA   ) 3.2 1.5 1.6 volume=75758.875 peak=1484 ppm1=1.664 ppm2=5.469

assign ( resid  77  and name HA3  )   ( resid  54  and name HB   ) 3.6 1.8 1.8 volume=720363.500 peak=1485 ppm1=3.642 ppm2=1.548

assign ( resid  12  and name HA  )   ( resid  13  and name HG2#   ) 4.0 2.0 2.0 volume=732468.688 peak=1486 ppm1=4.181 ppm2=0.755

assign ( resid  35  and name HA  )   ( resid  35  and name HB   ) 2.8 1.1 1.4 volume=1532788.875 peak=1487 ppm1=4.454 ppm2=2.241

assign ( resid  76  and name HB#  )   ( resid  76  and name H   ) 2.8 1.1 1.4 volume=3845827.375 peak=1488 ppm1=1.428 ppm2=7.601

assign ( resid  64  and name HB  )   ( resid  64  and name H   ) 3.4 1.7 1.7 volume=1247701.875 peak=1489 ppm1=3.892 ppm2=8.391

assign ( resid  65  and name HG  )   ( resid  63  and name HG2#   ) 3.3 1.5 1.6 volume=1652664.750 peak=1490 ppm1=1.846 ppm2=0.663

assign ( resid  24  and name HA  )   ( resid  24  and name H   ) 3.3 1.6 1.7 volume=1517308.875 peak=1491 ppm1=4.020 ppm2=7.893

assign ( resid  27  and name H  )   ( resid  26  and name HA2   ) 3.8 1.9 1.9 volume=28232.812 peak=1492 ppm1=7.049 ppm2=3.942

assign ( resid  17  and name HB  )   ( resid  18  and name HA   ) 3.9 1.9 1.9 volume=595634.625 peak=1493 ppm1=1.804 ppm2=3.554

assign ( resid  13  and name HG2#  )   ( resid  13  and name HB   ) 3.0 1.3 1.5 volume=3952498.812 peak=1494 ppm1=0.766 ppm2=2.118

assign ( resid  65  and name HB3  )   ( resid  66  and name H   ) 3.9 2.0 2.0 volume=687980.250 peak=1495 ppm1=1.801 ppm2=8.654

assign ( resid  43  and name HB3  )   ( resid  43  and name HA   ) 3.3 1.6 1.7 volume=1375355.625 peak=1496 ppm1=1.743 ppm2=5.340

assign ( resid  25  and name HG2#  )   ( resid  25  and name H   ) 3.7 1.8 1.8 volume=785021.125 peak=1497 ppm1=0.998 ppm2=8.269

assign ( resid  7  and name HB3  )   ( resid  43  and name HA   ) 3.7 1.8 1.8 volume=611211.125 peak=1498 ppm1=3.233 ppm2=5.338

assign ( resid  17  and name HA  )   ( resid  20  and name H   ) 3.7 1.9 1.9 volume=742267.500 peak=1499 ppm1=3.762 ppm2=7.862

assign ( resid  39  and name HB  )   ( resid  39  and name HG1#   ) 2.6 0.9 1.3 volume=2737427.438 peak=1500 ppm1=1.754 ppm2=0.396

assign ( resid  83  and name HA  )   ( resid  83  and name HB3   ) 3.0 1.3 1.5 volume=2695149.000 peak=1501 ppm1=4.486 ppm2=2.940

assign ( resid  18  and name HA  )   ( resid  6  and name HD1#   ) 2.7 1.0 1.4 volume=2077190.125 peak=1502 ppm1=3.561 ppm2=0.795

assign ( resid  13  and name HD1#  )   ( resid  13  and name HG13   ) 3.0 1.3 1.5 volume=2751342.375 peak=1503 ppm1=0.503 ppm2=1.230

assign ( resid  67  and name HA  )   ( resid  68  and name HG3   ) 4.6 2.3 1.4 volume=208319.000 peak=1504 ppm1=4.793 ppm2=2.090

assign ( resid  14  and name H  )   ( resid  13  and name HB   ) 3.4 1.6 1.7 volume=1921687.750 peak=1505 ppm1=7.030 ppm2=2.115

assign ( resid  51  and name HB#  )   ( resid  52  and name H   ) 3.1 1.4 1.5 volume=2316933.750 peak=1506 ppm1=1.235 ppm2=8.052

assign ( resid  7  and name HB3  )   ( resid  8  and name HA3   ) 3.9 1.9 1.9 volume=594404.125 peak=1507 ppm1=3.237 ppm2=4.697

assign ( resid  74  and name HA  )   ( resid  54  and name HG2#   ) 3.0 1.3 1.5 volume=2588895.500 peak=1508 ppm1=3.830 ppm2=0.797

assign ( resid  57  and name HA  )   ( resid  57  and name H   ) 3.6 1.8 1.8 volume=1254559.750 peak=1509 ppm1=5.273 ppm2=8.852

assign ( resid  70  and name HA  )   ( resid  70  and name HB2   ) 3.2 1.5 1.6 volume=1910336.000 peak=1510 ppm1=5.469 ppm2=1.664

assign ( resid  8  and name HA2  )   ( resid  8  and name HA3   ) 2.9 1.2 1.5 volume=3151217.500 peak=1511 ppm1=3.758 ppm2=4.692

assign ( resid  52  and name HB  )   ( resid  54  and name HG2#   ) 3.6 1.8 1.8 volume=857699.625 peak=1512 ppm1=4.086 ppm2=0.793

assign ( resid  19  and name HB2  )   ( resid  20  and name H   ) 4.0 2.0 2.0 volume=484590.500 peak=1513 ppm1=2.788 ppm2=7.841

assign ( resid  33  and name HA  )   ( resid  33  and name HB3   ) 2.5 0.8 1.3 volume=3532495.625 peak=1514 ppm1=4.534 ppm2=2.803

assign ( resid  68  and name HA  )   ( resid  55  and name HA   ) 3.0 1.3 1.5 volume=3078820.000 peak=1515 ppm1=5.587 ppm2=5.247

assign ( resid  41  and name HB2  )   ( resid  57  and name HB   ) 3.4 1.7 1.7 volume=1782599.875 peak=1516 ppm1=3.277 ppm2=3.972

assign ( resid  85  and name HB3  )   ( resid  85  and name H   ) 3.5 1.8 1.8 volume=1187797.000 peak=1517 ppm1=1.264 ppm2=8.678

assign ( resid  13  and name HA  )   ( resid  14  and name H   ) 3.1 1.3 1.5 volume=2415644.375 peak=1518 ppm1=3.975 ppm2=6.998

assign ( resid  59  and name HB2  )   ( resid  60  and name H   ) 3.5 1.8 1.8 volume=425313.250 peak=1519 ppm1=2.228 ppm2=8.497

assign ( resid  66  and name HA  )   ( resid  57  and name HA   ) 3.1 1.4 1.6 volume=2073329.750 peak=1520 ppm1=5.494 ppm2=5.274

assign ( resid  54  and name HB  )   ( resid  54  and name H   ) 3.5 1.7 1.7 volume=1108931.625 peak=1521 ppm1=1.565 ppm2=9.012

assign ( resid  35  and name HA  )   ( resid  35  and name H   ) 3.6 1.8 1.8 volume=918484.000 peak=1522 ppm1=4.453 ppm2=7.749

assign ( resid  31  and name HB2  )   ( resid  32  and name HD#   ) 3.2 1.5 1.6 volume=1954899.250 peak=1523 ppm1=3.081 ppm2=7.180

assign ( resid  51  and name HA  )   ( resid  52  and name HG1   ) 3.9 1.9 1.9 volume=747673.000 peak=1524 ppm1=4.546 ppm2=1.073

assign ( resid  29  and name HA  )   ( resid  29  and name H   ) 3.4 1.7 1.7 volume=1330072.500 peak=1525 ppm1=3.226 ppm2=7.399

assign ( resid  46  and name HB  )   ( resid  52  and name H   ) 4.2 2.1 1.8 volume=110022.500 peak=1526 ppm1=4.152 ppm2=8.062

assign ( resid  41  and name HA  )   ( resid  41  and name HB3   ) 3.3 1.6 1.6 volume=1491922.500 peak=1527 ppm1=5.085 ppm2=3.074

assign ( resid  57  and name HG1  )   ( resid  57  and name HB   ) 2.9 1.2 1.4 volume=4737713.500 peak=1528 ppm1=1.130 ppm2=3.972

assign ( resid  29  and name HA  )   ( resid  28  and name HA   ) 4.8 2.4 1.2 volume=260.125 peak=1529 ppm1=3.224 ppm2=4.200

assign ( resid  30  and name HA  )   ( resid  30  and name HG3   ) 2.9 1.1 1.4 volume=3694920.875 peak=1530 ppm1=4.068 ppm2=1.530

assign ( resid  60  and name HA  )   ( resid  60  and name HB2   ) 3.6 1.8 1.8 volume=198.062 peak=1531 ppm1=4.661 ppm2=1.804

assign ( resid  66  and name HB3  )   ( resid  57  and name HG1   ) 3.3 1.6 1.6 volume=1164220.125 peak=1532 ppm1=1.700 ppm2=1.141

assign ( resid  57  and name HB  )   ( resid  57  and name HG1   ) 2.6 0.9 1.3 volume=6611589.375 peak=1533 ppm1=3.972 ppm2=1.130

assign ( resid  4  and name HA  )   ( resid  39  and name HG2#   ) 3.5 1.7 1.7 volume=1119438.750 peak=1534 ppm1=4.946 ppm2=0.682

assign ( resid  52  and name HB  )   ( resid  53  and name H   ) 4.0 2.0 2.0 volume=385151.500 peak=1535 ppm1=4.088 ppm2=9.157

assign ( resid  54  and name HG2#  )   ( resid  54  and name H   ) 3.0 1.3 1.5 volume=2882136.750 peak=1536 ppm1=0.770 ppm2=9.024

assign ( resid  44  and name HA  )   ( resid  44  and name H   ) 3.8 1.9 1.9 volume=510046.625 peak=1537 ppm1=5.014 ppm2=8.504

assign ( resid  20  and name HB3  )   ( resid  17  and name HG13   ) 3.7 1.9 1.9 volume=753272.375 peak=1538 ppm1=3.276 ppm2=0.965

assign ( resid  83  and name HB2  )   ( resid  83  and name HA   ) 3.0 1.2 1.5 volume=3727006.250 peak=1539 ppm1=3.014 ppm2=4.496

assign ( resid  2  and name HA  )   ( resid  2  and name HD1#   ) 3.1 1.4 1.6 volume=2927459.812 peak=1540 ppm1=4.322 ppm2=0.676

assign ( resid  74  and name HA  )   ( resid  74  and name HD2#   ) 3.0 1.3 1.5 volume=2532139.875 peak=1541 ppm1=3.830 ppm2=0.697

assign ( resid  73  and name HB2  )   ( resid  76  and name HB#   ) 3.0 1.3 1.5 volume=1564321.750 peak=1542 ppm1=2.493 ppm2=1.428

assign ( resid  17  and name HA  )   ( resid  17  and name H   ) 3.7 1.8 1.8 volume=824707.625 peak=1543 ppm1=3.759 ppm2=7.373

assign ( resid  67  and name HB#  )   ( resid  81  and name HA   ) 3.4 1.7 1.7 volume=1841482.625 peak=1544 ppm1=1.375 ppm2=3.674

assign ( resid  2  and name HG2#  )   ( resid  2  and name HD1#   ) 2.4 0.7 1.2 volume=3477883.625 peak=1545 ppm1=0.214 ppm2=0.672

assign ( resid  19  and name HB2  )   ( resid  19  and name HA   ) 3.2 1.5 1.6 volume=2486952.750 peak=1546 ppm1=2.784 ppm2=4.309

assign ( resid  36  and name HA  )   ( resid  36  and name HB3   ) 2.7 1.0 1.4 volume=4909188.125 peak=1547 ppm1=4.431 ppm2=2.242

assign ( resid  19  and name HB3  )   ( resid  19  and name H   ) 3.5 1.7 1.7 volume=1124124.500 peak=1548 ppm1=2.845 ppm2=8.612

assign ( resid  76  and name HB#  )   ( resid  75  and name H   ) 3.6 1.8 1.8 volume=852418.625 peak=1549 ppm1=1.429 ppm2=7.468

assign ( resid  42  and name HG1#  )   ( resid  56  and name HB   ) 4.3 2.1 1.7 volume=332948.125 peak=1550 ppm1=1.018 ppm2=1.889

assign ( resid  66  and name HA  )   ( resid  57  and name HA   ) 2.1 0.3 1.0 volume=4500000.000 peak=1551 ppm1=5.488 ppm2=5.274

assign ( resid  20  and name HB2  )   ( resid  20  and name HA   ) 3.3 1.6 1.6 volume=1630065.500 peak=1552 ppm1=3.024 ppm2=4.117

assign ( resid  66  and name HB3  )   ( resid  65  and name HA   ) 4.0 2.0 2.0 volume=495284.500 peak=1553 ppm1=1.703 ppm2=4.571

assign ( resid  81  and name HA  )   ( resid  81  and name HD1#   ) 3.0 1.3 1.5 volume=3592427.438 peak=1554 ppm1=3.673 ppm2=0.767

assign ( resid  57  and name HG1  )   ( resid  58  and name H   ) 3.2 1.5 1.6 volume=1765667.500 peak=1555 ppm1=1.129 ppm2=9.261

assign ( resid  67  and name HA  )   ( resid  67  and name H   ) 3.4 1.7 1.7 volume=993738.500 peak=1556 ppm1=4.789 ppm2=8.855

assign ( resid  84  and name HA  )   ( resid  87  and name H   ) 3.3 1.5 1.6 volume=2090761.125 peak=1557 ppm1=4.034 ppm2=7.637

assign ( resid  20  and name HA  )   ( resid  23  and name HB2   ) 3.1 1.4 1.6 volume=936091.062 peak=1558 ppm1=4.110 ppm2=2.042

assign ( resid  82  and name HB2  )   ( resid  82  and name HD22   ) 3.8 1.9 1.9 volume=545709.625 peak=1559 ppm1=2.527 ppm2=6.226

assign ( resid  20  and name HB3  )   ( resid  21  and name H   ) 3.5 1.7 1.7 volume=1434361.250 peak=1560 ppm1=3.266 ppm2=8.148

assign ( resid  18  and name HA  )   ( resid  21  and name H   ) 4.0 2.0 2.0 volume=593346.500 peak=1561 ppm1=3.563 ppm2=8.147

assign ( resid  42  and name HB  )   ( resid  40  and name HB#   ) 3.3 1.6 1.6 volume=1216122.500 peak=1562 ppm1=2.247 ppm2=0.695

assign ( resid  19  and name HA  )   ( resid  19  and name HB3   ) 3.0 1.3 1.5 volume=1942933.375 peak=1563 ppm1=4.308 ppm2=2.820

assign ( resid  82  and name HB2  )   ( resid  83  and name H   ) 3.8 1.9 1.9 volume=574933.625 peak=1564 ppm1=2.529 ppm2=7.616

assign ( resid  26  and name HA2  )   ( resid  27  and name H   ) 3.4 1.7 1.7 volume=1690195.125 peak=1565 ppm1=3.946 ppm2=7.055

assign ( resid  82  and name HB2  )   ( resid  82  and name HB3   ) 2.3 0.6 1.1 volume=6401169.562 peak=1566 ppm1=2.531 ppm2=3.030

assign ( resid  40  and name HA  )   ( resid  58  and name HA   ) 3.6 1.8 1.8 volume=990409.125 peak=1567 ppm1=4.816 ppm2=5.053

assign ( resid  41  and name HB2  )   ( resid  41  and name HA   ) 3.3 1.6 1.7 volume=1790606.875 peak=1568 ppm1=3.280 ppm2=5.078

assign ( resid  26  and name HA3  )   ( resid  27  and name H   ) 3.6 1.8 1.8 volume=941535.750 peak=1569 ppm1=4.327 ppm2=7.050

assign ( resid  66  and name HB3  )   ( resid  57  and name HA   ) 3.8 1.9 1.9 volume=980360.750 peak=1570 ppm1=1.693 ppm2=5.269

assign ( resid  96  and name HA  )   ( resid  96  and name HD1#   ) 2.9 1.2 1.5 volume=3353480.625 peak=1571 ppm1=4.060 ppm2=0.830

assign ( resid  38  and name HB#  )   ( resid  39  and name HG1#   ) 3.1 1.4 1.6 volume=2056396.625 peak=1572 ppm1=1.142 ppm2=0.361

assign ( resid  35  and name HB  )   ( resid  32  and name HD#   ) 4.1 2.0 1.9 volume=422560.875 peak=1573 ppm1=2.235 ppm2=7.177

assign ( resid  41  and name HA  )   ( resid  5  and name H   ) 3.8 1.9 1.9 volume=694404.625 peak=1574 ppm1=5.090 ppm2=8.786

assign ( resid  51  and name HA  )   ( resid  51  and name HB#   ) 2.7 1.0 1.4 volume=128687.688 peak=1575 ppm1=4.557 ppm2=1.237

assign ( resid  28  and name HA  )   ( resid  28  and name HD1#   ) 2.7 0.9 1.3 volume=5648844.000 peak=1576 ppm1=4.187 ppm2=0.926

assign ( resid  25  and name HA  )   ( resid  25  and name HB   ) 3.3 1.5 1.6 volume=1649567.625 peak=1577 ppm1=4.090 ppm2=2.121

assign ( resid  78  and name HA  )   ( resid  78  and name HB   ) 3.4 1.7 1.7 volume=158777.312 peak=1578 ppm1=3.711 ppm2=2.326

assign ( resid  2  and name HB  )   ( resid  38  and name H   ) 3.9 2.0 2.0 volume=548737.625 peak=1579 ppm1=1.516 ppm2=8.130

assign ( resid  68  and name HA  )   ( resid  55  and name HB2   ) 3.1 1.4 1.6 volume=2900119.938 peak=1580 ppm1=5.586 ppm2=1.966

assign ( resid  68  and name HA  )   ( resid  69  and name H   ) 2.8 1.1 1.4 volume=3747747.125 peak=1581 ppm1=5.583 ppm2=8.903

assign ( resid  77  and name HA3  )   ( resid  71  and name HB2   ) 3.6 1.8 1.8 volume=1375653.875 peak=1582 ppm1=3.646 ppm2=2.569

assign ( resid  25  and name HG2#  )   ( resid  25  and name HB   ) 2.8 1.0 1.4 volume=4452327.875 peak=1583 ppm1=0.998 ppm2=2.109

assign ( resid  87  and name HA  )   ( resid  88  and name H   ) 3.4 1.7 1.7 volume=1513576.250 peak=1584 ppm1=3.933 ppm2=7.800

assign ( resid  57  and name HB  )   ( resid  58  and name H   ) 3.6 1.8 1.8 volume=1225201.375 peak=1585 ppm1=3.971 ppm2=9.255

assign ( resid  8  and name HA2  )   ( resid  44  and name H   ) 3.9 2.0 2.0 volume=543359.500 peak=1586 ppm1=3.759 ppm2=8.491

assign ( resid  13  and name HA  )   ( resid  13  and name HG2#   ) 2.8 1.1 1.4 volume=5708554.500 peak=1587 ppm1=3.971 ppm2=0.763

assign ( resid  43  and name HA  )   ( resid  44  and name HG1#   ) 3.5 1.7 1.7 volume=1120690.625 peak=1588 ppm1=5.344 ppm2=0.765

assign ( resid  69  and name HA  )   ( resid  70  and name H   ) 2.7 1.0 1.4 volume=4945341.625 peak=1589 ppm1=4.596 ppm2=8.560

assign ( resid  76  and name HA  )   ( resid  79  and name H   ) 3.4 1.7 1.7 volume=1655493.250 peak=1590 ppm1=4.146 ppm2=8.441

assign ( resid  43  and name HB2  )   ( resid  43  and name H   ) 3.8 1.9 1.9 volume=674462.500 peak=1591 ppm1=1.900 ppm2=9.383

assign ( resid  7  and name HB2  )   ( resid  43  and name HA   ) 3.6 1.8 1.8 volume=537452.875 peak=1592 ppm1=3.058 ppm2=5.342

assign ( resid  81  and name HA  )   ( resid  81  and name HB   ) 3.0 1.3 1.5 volume=111324.125 peak=1593 ppm1=3.674 ppm2=2.183

assign ( resid  77  and name HA3  )   ( resid  71  and name HD21   ) 4.2 2.1 1.8 volume=120994.000 peak=1594 ppm1=3.640 ppm2=7.088

assign ( resid  25  and name HA  )   ( resid  25  and name H   ) 3.5 1.7 1.7 volume=1103076.875 peak=1595 ppm1=4.088 ppm2=8.266

assign ( resid  71  and name HA  )   ( resid  71  and name HB2   ) 3.5 1.7 1.7 volume=1651287.312 peak=1596 ppm1=4.617 ppm2=2.571

assign ( resid  12  and name HB  )   ( resid  12  and name HA   ) 2.9 1.1 1.4 volume=4519118.812 peak=1597 ppm1=3.963 ppm2=4.179

assign ( resid  66  and name HA  )   ( resid  58  and name H   ) 3.6 1.8 1.8 volume=1120663.500 peak=1598 ppm1=5.492 ppm2=9.253

assign ( resid  43  and name HA  )   ( resid  7  and name H   ) 3.6 1.8 1.8 volume=882978.000 peak=1599 ppm1=5.344 ppm2=9.133

assign ( resid  79  and name HA  )   ( resid  82  and name HB2   ) 3.3 1.5 1.6 volume=95238.312 peak=1600 ppm1=4.327 ppm2=2.535

assign ( resid  56  and name HA  )   ( resid  56  and name HG1#   ) 3.0 1.3 1.5 volume=3092527.000 peak=1601 ppm1=5.340 ppm2=1.028

assign ( resid  10  and name HB3  )   ( resid  10  and name HA   ) 3.2 1.5 1.6 volume=2528204.938 peak=1602 ppm1=2.876 ppm2=4.370

assign ( resid  25  and name HA  )   ( resid  28  and name HG   ) 3.3 1.6 1.7 volume=1446049.375 peak=1603 ppm1=4.091 ppm2=1.526

assign ( resid  40  and name HB#  )   ( resid  56  and name HA   ) 3.9 1.9 1.9 volume=817079.562 peak=1604 ppm1=0.718 ppm2=5.341

assign ( resid  88  and name HA  )   ( resid  88  and name HB3   ) 2.9 1.2 1.4 volume=2442369.875 peak=1605 ppm1=4.022 ppm2=2.250

assign ( resid  16  and name HB#  )   ( resid  17  and name HB   ) 3.5 1.8 1.8 volume=1018349.125 peak=1606 ppm1=1.463 ppm2=1.808

assign ( resid  7  and name HA  )   ( resid  7  and name HB3   ) 3.2 1.5 1.6 volume=1445930.000 peak=1607 ppm1=4.981 ppm2=3.230

assign ( resid  70  and name HB3  )   ( resid  70  and name HA   ) 3.2 1.5 1.6 volume=2584604.188 peak=1608 ppm1=1.603 ppm2=5.465

assign ( resid  79  and name HB3  )   ( resid  80  and name H   ) 3.5 1.8 1.8 volume=1074380.375 peak=1609 ppm1=2.725 ppm2=8.120

assign ( resid  79  and name HB2  )   ( resid  80  and name H   ) 4.2 2.1 1.8 volume=390845.875 peak=1610 ppm1=2.957 ppm2=8.118

assign ( resid  53  and name HA  )   ( resid  54  and name HG2#   ) 4.1 2.0 1.9 volume=14044.812 peak=1611 ppm1=5.176 ppm2=0.792

assign ( resid  84  and name HA  )   ( resid  84  and name H   ) 3.0 1.2 1.5 volume=3687409.000 peak=1612 ppm1=4.040 ppm2=7.855

assign ( resid  20  and name HA  )   ( resid  20  and name HB3   ) 3.0 1.3 1.5 volume=1191021.688 peak=1613 ppm1=4.105 ppm2=3.268

assign ( resid  57  and name HB  )   ( resid  41  and name HB2   ) 3.3 1.6 1.7 volume=1792994.250 peak=1614 ppm1=3.972 ppm2=3.277

assign ( resid  71  and name HB2  )   ( resid  73  and name H   ) 3.6 1.8 1.8 volume=564460.625 peak=1615 ppm1=2.564 ppm2=9.117

assign ( resid  40  and name HA  )   ( resid  40  and name HB#   ) 3.0 1.2 1.5 volume=2776043.875 peak=1616 ppm1=4.821 ppm2=0.685

assign ( resid  51  and name HA  )   ( resid  51  and name HB#   ) 2.6 0.9 1.3 volume=4068746.375 peak=1617 ppm1=4.545 ppm2=1.237

assign ( resid  17  and name HA  )   ( resid  17  and name HG2#   ) 2.9 1.1 1.4 volume=3646549.250 peak=1618 ppm1=3.752 ppm2=0.760

assign ( resid  71  and name HB2  )   ( resid  71  and name HD22   ) 3.5 1.8 1.8 volume=1283876.750 peak=1619 ppm1=2.573 ppm2=7.806

assign ( resid  3  and name HA  )   ( resid  3  and name H   ) 3.5 1.8 1.8 volume=1018702.500 peak=1620 ppm1=4.540 ppm2=8.130

assign ( resid  41  and name HA  )   ( resid  5  and name HB3   ) 3.2 1.4 1.6 volume=883659.125 peak=1621 ppm1=5.090 ppm2=1.939

assign ( resid  6  and name HG2#  )   ( resid  7  and name H   ) 3.3 1.6 1.6 volume=1574671.500 peak=1622 ppm1=0.699 ppm2=9.137

assign ( resid  16  and name HB#  )   ( resid  17  and name H   ) 3.1 1.3 1.5 volume=1878078.375 peak=1623 ppm1=1.463 ppm2=7.369

assign ( resid  4  and name HA  )   ( resid  4  and name HD#   ) 3.5 1.7 1.7 volume=1044601.000 peak=1624 ppm1=4.938 ppm2=7.060

assign ( resid  12  and name HB  )   ( resid  12  and name HG1   ) 2.5 0.8 1.2 volume=8441002.625 peak=1625 ppm1=3.965 ppm2=1.124

assign ( resid  67  and name HB#  )   ( resid  77  and name HA2   ) 3.3 1.6 1.7 volume=1458613.875 peak=1626 ppm1=1.370 ppm2=3.986

assign ( resid  42  and name HG1#  )   ( resid  57  and name H   ) 4.2 2.1 1.8 volume=371795.500 peak=1627 ppm1=1.014 ppm2=8.835

assign ( resid  6  and name HG2#  )   ( resid  8  and name HA3   ) 3.1 1.4 1.6 volume=2063257.125 peak=1628 ppm1=0.759 ppm2=4.690

assign ( resid  32  and name HB2  )   ( resid  32  and name H   ) 3.4 1.7 1.7 volume=817021.625 peak=1629 ppm1=3.270 ppm2=7.681

assign ( resid  11  and name HB2  )   ( resid  11  and name HA   ) 3.1 1.4 1.6 volume=13939.500 peak=1630 ppm1=1.507 ppm2=4.406

assign ( resid  71  and name HB3  )   ( resid  71  and name HA   ) 3.2 1.5 1.6 volume=2021528.625 peak=1631 ppm1=2.512 ppm2=4.616

assign ( resid  1  and name HA  )   ( resid  1  and name HB3   ) 2.9 1.2 1.5 volume=1476046.875 peak=1632 ppm1=4.231 ppm2=2.190

assign ( resid  24  and name HB2  )   ( resid  21  and name HA   ) 3.5 1.7 1.7 volume=902447.375 peak=1633 ppm1=1.483 ppm2=3.272

assign ( resid  75  and name HA  )   ( resid  74  and name HB2   ) 4.0 2.0 2.0 volume=267581.500 peak=1634 ppm1=3.738 ppm2=1.185

assign ( resid  2  and name HG2#  )   ( resid  3  and name H   ) 3.2 1.4 1.6 volume=1999276.000 peak=1635 ppm1=0.211 ppm2=8.131

assign ( resid  74  and name HB3  )   ( resid  74  and name HA   ) 3.0 1.3 1.5 volume=1511405.875 peak=1636 ppm1=1.472 ppm2=3.824

assign ( resid  75  and name HB2  )   ( resid  75  and name HB3   ) 2.8 1.1 1.4 volume=4192065.625 peak=1637 ppm1=2.901 ppm2=2.575

assign ( resid  57  and name HB  )   ( resid  41  and name H   ) 3.6 1.8 1.8 volume=1074312.500 peak=1638 ppm1=3.973 ppm2=9.064

assign ( resid  38  and name HB#  )   ( resid  2  and name HD1#   ) 3.1 1.4 1.6 volume=2116073.500 peak=1639 ppm1=1.136 ppm2=0.680

assign ( resid  74  and name HB2  )   ( resid  74  and name HB3   ) 2.6 0.9 1.3 volume=6006911.000 peak=1640 ppm1=1.204 ppm2=1.471

assign ( resid  82  and name HB3  )   ( resid  82  and name H   ) 3.3 1.5 1.6 volume=1648811.375 peak=1641 ppm1=3.035 ppm2=8.676

assign ( resid  6  and name HA  )   ( resid  7  and name H   ) 3.1 1.4 1.6 volume=2217917.625 peak=1642 ppm1=4.907 ppm2=9.141

assign ( resid  6  and name HB  )   ( resid  6  and name HD1#   ) 2.9 1.2 1.4 volume=3525523.375 peak=1643 ppm1=1.732 ppm2=0.806

assign ( resid  64  and name HB  )   ( resid  64  and name HA   ) 3.0 1.3 1.5 volume=2578156.375 peak=1644 ppm1=3.879 ppm2=4.687

assign ( resid  28  and name HB3  )   ( resid  28  and name H   ) 3.1 1.4 1.6 volume=2090286.250 peak=1645 ppm1=1.962 ppm2=8.103

assign ( resid  89  and name HA  )   ( resid  89  and name H   ) 3.4 1.7 1.7 volume=1161743.875 peak=1646 ppm1=3.780 ppm2=8.555

assign ( resid  25  and name HG2#  )   ( resid  40  and name HB#   ) 2.8 1.1 1.4 volume=4058369.500 peak=1647 ppm1=0.999 ppm2=0.684

assign ( resid  64  and name HB  )   ( resid  64  and name HG2#   ) 2.9 1.2 1.4 volume=3448841.375 peak=1648 ppm1=3.878 ppm2=0.936

assign ( resid  59  and name HB3  )   ( resid  59  and name HA   ) 3.3 1.6 1.7 volume=675442.812 peak=1649 ppm1=2.087 ppm2=4.715

assign ( resid  58  and name HB  )   ( resid  58  and name HA   ) 3.5 1.8 1.8 volume=1448555.375 peak=1650 ppm1=1.895 ppm2=5.049

assign ( resid  13  and name HG12  )   ( resid  13  and name HG2#   ) 2.6 0.9 1.3 volume=6626441.000 peak=1651 ppm1=1.412 ppm2=0.728

assign ( resid  31  and name HB3  )   ( resid  32  and name HD#   ) 3.3 1.6 1.7 volume=1353662.750 peak=1652 ppm1=2.635 ppm2=7.180

assign ( resid  22  and name HA  )   ( resid  22  and name HB2   ) 3.2 1.5 1.6 volume=2142270.375 peak=1653 ppm1=2.927 ppm2=1.763

assign ( resid  73  and name HA  )   ( resid  73  and name H   ) 3.5 1.8 1.8 volume=1291971.750 peak=1654 ppm1=4.798 ppm2=9.120

assign ( resid  52  and name HB  )   ( resid  52  and name H   ) 3.3 1.6 1.7 volume=1526966.375 peak=1655 ppm1=4.089 ppm2=8.055

assign ( resid  24  and name HA  )   ( resid  24  and name HB2   ) 3.1 1.4 1.6 volume=147382.812 peak=1656 ppm1=4.027 ppm2=1.484

assign ( resid  88  and name HB3  )   ( resid  87  and name H   ) 3.9 1.9 1.9 volume=319852.000 peak=1657 ppm1=2.242 ppm2=7.645

assign ( resid  12  and name HA  )   ( resid  12  and name H   ) 3.8 1.9 1.9 volume=671175.500 peak=1658 ppm1=4.182 ppm2=8.166

assign ( resid  63  and name HA  )   ( resid  64  and name H   ) 3.0 1.3 1.5 volume=2787223.375 peak=1659 ppm1=4.296 ppm2=8.391

assign ( resid  75  and name HA  )   ( resid  75  and name H   ) 3.4 1.7 1.7 volume=1498989.750 peak=1660 ppm1=3.738 ppm2=7.461

assign ( resid  57  and name HA  )   ( resid  56  and name HG2#   ) 3.8 1.9 1.9 volume=17228.750 peak=1661 ppm1=5.275 ppm2=0.893

assign ( resid  41  and name HA  )   ( resid  42  and name H   ) 2.9 1.2 1.5 volume=3766695.750 peak=1662 ppm1=5.091 ppm2=9.315

assign ( resid  57  and name HG1  )   ( resid  66  and name HD2   ) 3.7 1.9 1.9 volume=777761.875 peak=1663 ppm1=1.133 ppm2=3.101

assign ( resid  53  and name HA  )   ( resid  54  and name H   ) 3.0 1.3 1.5 volume=2515209.125 peak=1664 ppm1=5.175 ppm2=9.001

assign ( resid  19  and name HB3  )   ( resid  20  and name H   ) 4.2 2.1 1.8 volume=356739.250 peak=1665 ppm1=2.849 ppm2=7.834

assign ( resid  91  and name HA  )   ( resid  92  and name H   ) 3.4 1.7 1.7 volume=1217590.125 peak=1666 ppm1=4.072 ppm2=7.833

assign ( resid  6  and name HA  )   ( resid  6  and name HD1#   ) 3.2 1.5 1.6 volume=1887990.000 peak=1667 ppm1=4.908 ppm2=0.839

assign ( resid  60  and name HB2  )   ( resid  60  and name HA   ) 3.3 1.6 1.6 volume=1923827.375 peak=1668 ppm1=1.804 ppm2=4.661

assign ( resid  81  and name HA  )   ( resid  81  and name HD1#   ) 2.9 1.1 1.4 volume=3660990.000 peak=1669 ppm1=3.673 ppm2=0.767

assign ( resid  12  and name HB  )   ( resid  13  and name H   ) 3.9 1.9 1.9 volume=759267.375 peak=1670 ppm1=3.970 ppm2=8.535

assign ( resid  63  and name HA  )   ( resid  63  and name HG1#   ) 3.3 1.6 1.7 volume=1092884.500 peak=1671 ppm1=4.297 ppm2=0.417

assign ( resid  32  and name HA  )   ( resid  35  and name HG1#   ) 3.7 1.9 1.9 volume=29496.875 peak=1672 ppm1=5.026 ppm2=0.962

assign ( resid  93  and name HG3  )   ( resid  93  and name HA   ) 3.7 1.9 1.9 volume=748311.000 peak=1673 ppm1=1.574 ppm2=4.020

assign ( resid  21  and name HA  )   ( resid  21  and name HB   ) 3.5 1.7 1.7 volume=1437041.000 peak=1674 ppm1=3.273 ppm2=1.805

assign ( resid  89  and name HA  )   ( resid  65  and name HD2#   ) 3.3 1.6 1.6 volume=1627465.750 peak=1675 ppm1=3.783 ppm2=0.767

assign ( resid  58  and name H  )   ( resid  57  and name HA   ) 4.3 2.1 1.7 volume=102196.375 peak=1676 ppm1=9.255 ppm2=5.275

assign ( resid  17  and name HG13  )   ( resid  17  and name HD1#   ) 3.1 1.4 1.6 volume=2576059.250 peak=1677 ppm1=0.950 ppm2=0.667

assign ( resid  80  and name HB3  )   ( resid  81  and name HA   ) 3.5 1.8 1.8 volume=849335.875 peak=1678 ppm1=1.951 ppm2=3.656

assign ( resid  51  and name HB#  )   ( resid  51  and name H   ) 3.3 1.5 1.6 volume=1684427.500 peak=1679 ppm1=1.231 ppm2=7.874

assign ( resid  31  and name HB3  )   ( resid  31  and name HB2   ) 3.2 1.5 1.6 volume=2373611.125 peak=1680 ppm1=2.638 ppm2=3.089

assign ( resid  38  and name HB#  )   ( resid  35  and name HG1#   ) 3.4 1.7 1.7 volume=1277931.000 peak=1681 ppm1=1.143 ppm2=0.906

assign ( resid  38  and name HB#  )   ( resid  32  and name HD#   ) 3.8 1.9 1.9 volume=658733.250 peak=1682 ppm1=1.139 ppm2=7.183

assign ( resid  20  and name HB2  )   ( resid  17  and name HG2#   ) 3.6 1.8 1.8 volume=863604.375 peak=1683 ppm1=3.030 ppm2=0.753

assign ( resid  40  and name HA  )   ( resid  58  and name HA   ) 3.1 1.3 1.5 volume=1075930.750 peak=1684 ppm1=4.816 ppm2=5.053

assign ( resid  42  and name HA  )   ( resid  43  and name H   ) 2.9 1.2 1.5 volume=3069705.625 peak=1685 ppm1=5.122 ppm2=9.376

assign ( resid  16  and name HB#  )   ( resid  18  and name H   ) 4.3 2.2 1.7 volume=306681.625 peak=1686 ppm1=1.463 ppm2=8.338

assign ( resid  28  and name HA  )   ( resid  28  and name H   ) 3.2 1.5 1.6 volume=1743863.375 peak=1687 ppm1=4.192 ppm2=8.093

assign ( resid  11  and name HA  )   ( resid  12  and name H   ) 3.4 1.7 1.7 volume=1191336.000 peak=1688 ppm1=4.404 ppm2=8.177

assign ( resid  54  and name HA  )   ( resid  55  and name H   ) 2.8 1.1 1.4 volume=4942527.500 peak=1689 ppm1=5.070 ppm2=9.047

assign ( resid  20  and name HA  )   ( resid  23  and name HB2   ) 3.4 1.6 1.7 volume=1395361.250 peak=1690 ppm1=4.110 ppm2=2.042

assign ( resid  80  and name HA  )   ( resid  80  and name H   ) 3.2 1.5 1.6 volume=2324236.500 peak=1691 ppm1=4.164 ppm2=8.105

assign ( resid  17  and name HB  )   ( resid  17  and name H   ) 3.3 1.6 1.7 volume=1227839.250 peak=1692 ppm1=1.811 ppm2=7.367

assign ( resid  75  and name HA  )   ( resid  75  and name HD#   ) 3.6 1.8 1.8 volume=1179907.250 peak=1693 ppm1=3.736 ppm2=6.843

assign ( resid  59  and name HB2  )   ( resid  59  and name HA   ) 3.3 1.5 1.6 volume=741835.438 peak=1694 ppm1=2.230 ppm2=4.718

assign ( resid  93  and name HA  )   ( resid  93  and name HB2   ) 2.9 1.2 1.4 volume=3512113.500 peak=1695 ppm1=4.023 ppm2=1.980

assign ( resid  79  and name HA  )   ( resid  82  and name HB2   ) 3.1 1.4 1.6 volume=2246145.500 peak=1696 ppm1=4.331 ppm2=2.538

assign ( resid  11  and name HB3  )   ( resid  12  and name H   ) 3.8 1.9 1.9 volume=409441.750 peak=1697 ppm1=1.677 ppm2=8.169

assign ( resid  85  and name HB3  )   ( resid  65  and name HD2#   ) 3.4 1.7 1.7 volume=1248899.000 peak=1698 ppm1=1.265 ppm2=0.800

assign ( resid  94  and name HB  )   ( resid  90  and name HB3   ) 3.6 1.8 1.8 volume=1113639.500 peak=1699 ppm1=4.321 ppm2=1.823

assign ( resid  30  and name HA  )   ( resid  30  and name HB2   ) 2.8 1.1 1.4 volume=4159942.750 peak=1700 ppm1=4.070 ppm2=1.674

assign ( resid  54  and name HB  )   ( resid  54  and name HA   ) 3.2 1.5 1.6 volume=2285146.750 peak=1701 ppm1=1.562 ppm2=5.059

assign ( resid  32  and name HB2  )   ( resid  32  and name HA   ) 3.1 1.4 1.6 volume=1824572.250 peak=1702 ppm1=3.271 ppm2=5.025

assign ( resid  43  and name HB3  )   ( resid  43  and name H   ) 3.9 1.9 1.9 volume=586636.875 peak=1703 ppm1=1.746 ppm2=9.391

assign ( resid  88  and name HB3  )   ( resid  88  and name H   ) 3.3 1.6 1.7 volume=1845011.375 peak=1704 ppm1=2.242 ppm2=7.791

assign ( resid  43  and name HA  )   ( resid  44  and name H   ) 2.9 1.1 1.4 volume=3711807.375 peak=1705 ppm1=5.345 ppm2=8.498

assign ( resid  3  and name HA  )   ( resid  4  and name HD#   ) 3.6 1.8 1.8 volume=975764.625 peak=1706 ppm1=4.536 ppm2=7.063

assign ( resid  53  and name HA  )   ( resid  70  and name HA   ) 3.2 1.5 1.6 volume=1513716.125 peak=1707 ppm1=5.176 ppm2=5.462

assign ( resid  59  and name HB3  )   ( resid  59  and name HB2   ) 2.2 0.5 1.1 volume=6928275.688 peak=1708 ppm1=2.088 ppm2=2.235

assign ( resid  74  and name HB2  )   ( resid  74  and name HD2#   ) 3.1 1.4 1.5 volume=2479737.250 peak=1709 ppm1=1.202 ppm2=0.728

assign ( resid  83  and name HB2  )   ( resid  83  and name H   ) 3.0 1.3 1.5 volume=2588004.875 peak=1710 ppm1=3.017 ppm2=7.619

assign ( resid  4  and name HA  )   ( resid  40  and name H   ) 3.5 1.8 1.8 volume=899905.000 peak=1711 ppm1=4.935 ppm2=8.393

assign ( resid  32  and name HB2  )   ( resid  33  and name HA   ) 3.3 1.6 1.7 volume=657190.875 peak=1712 ppm1=3.268 ppm2=4.527

assign ( resid  57  and name HB  )   ( resid  57  and name H   ) 3.4 1.7 1.7 volume=1596272.375 peak=1713 ppm1=3.978 ppm2=8.863

assign ( resid  68  and name HA  )   ( resid  68  and name H   ) 3.6 1.8 1.8 volume=1222435.625 peak=1714 ppm1=5.584 ppm2=8.558

assign ( resid  17  and name HB  )   ( resid  14  and name H   ) 3.5 1.8 1.8 volume=778663.000 peak=1715 ppm1=1.816 ppm2=7.005

assign ( resid  41  and name HA  )   ( resid  5  and name HB3   ) 3.8 1.9 1.9 volume=661395.000 peak=1716 ppm1=5.090 ppm2=1.939

assign ( resid  32  and name HB2  )   ( resid  35  and name HB   ) 3.6 1.8 1.8 volume=229207.250 peak=1717 ppm1=3.262 ppm2=2.234

assign ( resid  58  and name HA  )   ( resid  40  and name HA   ) 2.4 0.6 1.2 volume=2000000.000 peak=1718 ppm1=5.045 ppm2=4.791

assign ( resid  96  and name HB  )   ( resid  96  and name HA   ) 3.1 1.3 1.5 volume=1889251.875 peak=1719 ppm1=1.834 ppm2=4.048

assign ( resid  2  and name HB  )   ( resid  38  and name HB#   ) 4.0 2.0 2.0 volume=601510.500 peak=1720 ppm1=1.520 ppm2=1.158

assign ( resid  42  and name HA  )   ( resid  42  and name HB   ) 3.8 1.9 1.9 volume=437789.250 peak=1721 ppm1=5.123 ppm2=2.236

assign ( resid  26  and name HA2  )   ( resid  26  and name H   ) 3.2 1.5 1.6 volume=1612640.000 peak=1722 ppm1=3.946 ppm2=7.679

assign ( resid  38  and name HB#  )   ( resid  38  and name H   ) 2.9 1.2 1.5 volume=3293899.375 peak=1723 ppm1=1.142 ppm2=8.129

assign ( resid  65  and name HB3  )   ( resid  65  and name HA   ) 3.6 1.8 1.8 volume=1211727.688 peak=1724 ppm1=1.800 ppm2=4.584

# Restraints file 2: dangle.tbl
Resonances	Value	Upper Limit	Lower Limit
2IleC-3ArgN-3ArgCa-3ArgC	-115.195	-90.000	-150.000
3ArgN-3ArgCa-3ArgC-4PheN	134.690	160.000	100.000
3ArgC-4PheN-4PheCa-4PheC	-113.699	-80.000	-160.000
4PheN-4PheCa-4PheC-5GluN	129.932	170.000	100.000
4PheC-5GluN-5GluCa-5GluC	-123.947	-80.000	-150.000
5GluN-5GluCa-5GluC-6IleN	131.475	160.000	100.000
5GluC-6IleN-6IleCa-6IleC	-123.772	-90.000	-150.000
6IleN-6IleCa-6IleC-7HisN	126.294	160.000	100.000
6IleC-7HisN-7HisCa-7HisC	-111.581	-70.000	-160.000
7HisN-7HisCa-7HisC-8GlyN	123.226	160.000	90.000
8GlyC-9AspN-9AspCa-9AspC	-86.620	-70.000	-160.000
9AspN-9AspCa-9AspC-10AsnN	80.478	60.000	150.000
11LeuC-12ThrN-12ThrCa-12ThrC	-97.588	-50.000	-150.000
12ThrN-12ThrCa-12ThrC-13IleN	127.234	160.000	100.000
12ThrC-13IleN-13IleCa-13IleC	-75.729	-50.000	-140.000
13IleN-13IleCa-13IleC-14ThrN	139.148	179.990	100.000
13IleC-14ThrN-14ThrCa-14ThrC	-84.524	-60.000	-110.000
14ThrN-14ThrCa-14ThrC-15AspN	164.989	179.990	140.000
14ThrC-15AspN-15AspCa-15AspC	-55.920	-40.000	-80.000
15AspN-15AspCa-15AspC-16AlaN	-39.035	-10.000	-70.000
15AspC-16AlaN-16AlaCa-16AlaC	-64.301	-40.000	-90.000
16AlaN-16AlaCa-16AlaC-17IleN	-40.776	-10.000	-70.000
16AlaC-17IleN-17IleCa-17IleC	-65.010	-40.000	-90.000
17IleN-17IleCa-17IleC-18ArgN	-44.993	-20.000	-70.000
17IleC-18ArgN-18ArgCa-18ArgC	-63.956	-40.000	-80.000
18ArgN-18ArgCa-18ArgC-19AsnN	-42.465	-20.000	-70.000
18ArgC-19AsnN-19AsnCa-19AsnC	-63.746	-40.000	-80.000
19AsnN-19AsnCa-19AsnC-20TyrN	-44.070	-20.000	-70.000
19AsnC-20TyrN-20TyrCa-20TyrC	-63.829	-40.000	-90.000
20TyrN-20TyrCa-20TyrC-21IleN	-44.863	-20.000	-70.000
20TyrC-21IleN-21IleCa-21IleC	-64.978	-40.000	-90.000
21IleN-21IleCa-21IleC-22GluN	-44.800	-20.000	-70.000
21IleC-22GluN-22GluCa-22GluC	-62.710	-40.000	-90.000
22GluN-22GluCa-22GluC-23GluN	-43.003	-20.000	-70.000
22GluC-23GluN-23GluCa-23GluC	-64.952	-40.000	-90.000
23GluN-23GluCa-23GluC-24LysN	-44.879	-20.000	-70.000
23GluC-24LysN-24LysCa-24LysC	-64.708	-40.000	-90.000
24LysN-24LysCa-24LysC-25IleN	-40.144	-10.000	-70.000
24LysC-25IleN-25IleCa-25IleC	-65.018	-40.000	-90.000
25IleN-25IleCa-25IleC-26GlyN	-44.902	-20.000	-60.000
25IleC-26GlyN-26GlyCa-26GlyC	-59.561	-40.000	-80.000
26GlyN-26GlyCa-26GlyC-27LysN	-41.513	-10.000	-70.000
26GlyC-27LysN-27LysCa-27LysC	-60.339	-40.000	-90.000
27LysN-27LysCa-27LysC-28LeuN	-39.282	0.000	-70.000
27LysC-28LeuN-28LeuCa-28LeuC	-64.888	-40.000	-90.000
28LeuN-28LeuCa-28LeuC-29GluN	-44.494	-20.000	-70.000
28LeuC-29GluN-29GluCa-29GluC	-64.754	-40.000	-90.000
29GluN-29GluCa-29GluC-30ArgN	-38.798	-10.000	-70.000
29GluC-30ArgN-30ArgCa-30ArgC	-66.234	-40.000	-90.000
30ArgN-30ArgCa-30ArgC-31TyrN	-31.863	0.000	-60.000
30ArgC-31TyrN-31TyrCa-31TyrC	-83.456	-50.000	-120.000
31TyrN-31TyrCa-31TyrC-32PheN	-27.199	20.000	-70.000
31TyrC-32PheN-32PheCa-32PheC	-114.881	-60.000	-160.000
32PheN-32PheCa-32PheC-33AsnN	164.027	90.000	179.900
36ProC-37AsnN-37AsnCa-37AsnC	-152.969	-60.000	-170.000
37AsnN-37AsnCa-37AsnC-38AlaN	123.481	90.000	179.900
37AsnC-38AlaN-38AlaCa-38AlaC	-120.206	-70.000	-180.000
38AlaN-38AlaCa-38AlaC-39ValN	126.336	179.990	100.000
38AlaC-39ValN-39ValCa-39ValC	-120.993	-90.000	-150.000
39ValN-39ValCa-39ValC-40AlaN	131.463	160.000	100.000
39ValC-40AlaN-40AlaCa-40AlaC	-125.014	-90.000	-160.000
40AlaN-40AlaCa-40AlaC-41HisN	136.207	170.000	100.000
40AlaC-41HisN-41HisCa-41HisC	-112.476	-70.000	-150.000
41HisN-41HisCa-41HisC-42ValN	125.212	160.000	90.000
41HisC-42ValN-42ValCa-42ValC	-124.730	-90.000	-140.000
42ValN-42ValCa-42ValC-43LysN	125.025	150.000	100.000
42ValC-43LysN-43LysCa-43LysC	-122.694	-90.000	-150.000
43LysN-43LysCa-43LysC-44ValN	127.072	170.000	100.000
43LysC-44ValN-44ValCa-44ValC	-123.431	-90.000	-150.000
44ValN-44ValCa-44ValC-45LysN	125.300	160.000	100.000
44ValC-45LysN-45LysCa-45LysC	-127.568	-90.000	-160.000
45LysN-45LysCa-45LysC-46ThrN	132.678	170.000	100.000
45LysC-46ThrN-46ThrCa-46ThrC	-115.093	-90.000	-150.000
46ThrN-46ThrCa-46ThrC-47TyrN	126.292	150.000	100.000
46ThrC-47TyrN-47TyrCa-47TyrC	-107.845	-60.000	-160.000
47TyrN-47TyrCa-47TyrC-48SerN	128.777	170.000	90.000
50SerC-51AlaN-51AlaCa-51AlaC	-77.521	-50.000	-160.000
51AlaN-51AlaCa-51AlaC-52ThrN	137.402	90.000	179.900
51AlaC-52ThrN-52ThrCa-52ThrC	-110.518	-60.000	-160.000
52ThrN-52ThrCa-52ThrC-53LysN	129.953	170.000	90.000
52ThrC-53LysN-53LysCa-53LysC	-111.568	-80.000	-150.000
53LysN-53LysCa-53LysC-54IleN	126.960	160.000	100.000
53LysC-54IleN-54IleCa-54IleC	-128.820	-100.000	-160.000
54IleN-54IleCa-54IleC-55GluN	130.274	170.000	100.000
54IleC-55GluN-55GluCa-55GluC	-123.191	-90.000	-160.000
55GluN-55GluCa-55GluC-56ValN	136.191	170.000	110.000
55GluC-56ValN-56ValCa-56ValC	-137.886	-90.000	-170.000
56ValN-56ValCa-56ValC-57ThrN	141.150	179.990	110.000
56ValC-57ThrN-57ThrCa-57ThrC	-115.409	-90.000	-150.000
57ThrN-57ThrCa-57ThrC-58IleN	134.431	160.000	100.000
57ThrC-58IleN-58IleCa-58IleC	-123.673	-80.000	-150.000
58IleN-58IleCa-58IleC-59ProN	125.135	160.000	100.000
58IleC-59ProN-59ProCa-59ProC	-105.741	-50.000	-150.000
59ProN-59ProCa-59ProC-60LeuN	127.441	170.000	100.000
59ProC-60LeuN-60LeuCa-60LeuC	-76.043	-40.000	-180.000
60LeuN-60LeuCa-60LeuC-61LysN	140.696	-170.000	90.000
60LeuC-61LysN-61LysCa-61LysC	-65.383	-40.000	-90.000
61LysN-61LysCa-61LysC-62AsnN	-24.965	0.000	-60.000
61LysC-62AsnN-62AsnCa-62AsnC	-88.975	-60.000	-140.000
62AsnN-62AsnCa-62AsnC-63ValN	-11.904	10.000	-60.000
62AsnC-63ValN-63ValCa-63ValC	-113.106	-70.000	-150.000
63ValN-63ValCa-63ValC-64ThrN	134.718	170.000	100.000
63ValC-64ThrN-64ThrCa-64ThrC	-114.577	-80.000	-140.000
64ThrN-64ThrCa-64ThrC-65LeuN	125.074	150.000	100.000
64ThrC-65LeuN-65LeuCa-65LeuC	-115.278	-60.000	-160.000
65LeuN-65LeuCa-65LeuC-66ArgN	133.586	170.000	100.000
65LeuC-66ArgN-66ArgCa-66ArgC	-130.021	-80.000	-160.000
66ArgN-66ArgCa-66ArgC-67AlaN	152.295	179.990	110.000
66ArgC-67AlaN-67AlaCa-67AlaC	-140.699	-100.000	-180.000
67AlaN-67AlaCa-67AlaC-68GluN	157.794	-170.000	110.000
67AlaC-68GluN-68GluCa-68GluC	-132.007	-80.000	-160.000
68GluN-68GluCa-68GluC-69GluN	135.723	170.000	100.000
68GluC-69GluN-69GluCa-69GluC	-141.459	-80.000	-180.000
69GluN-69GluCa-69GluC-70ArgN	139.234	179.990	100.000
69GluC-70ArgN-70ArgCa-70ArgC	-113.801	-70.000	-150.000
70ArgN-70ArgCa-70ArgC-71AsnN	129.472	170.000	100.000
73AspC-74LeuN-74LeuCa-74LeuC	-57.551	-40.000	-90.000
74LeuN-74LeuCa-74LeuC-75TyrN	-48.841	-20.000	-70.000
74LeuC-75TyrN-75TyrCa-75TyrC	-56.419	-40.000	-80.000
75TyrN-75TyrCa-75TyrC-76AlaN	-44.025	-20.000	-70.000
75TyrC-76AlaN-76AlaCa-76AlaC	-64.757	-40.000	-90.000
76AlaN-76AlaCa-76AlaC-77GlyN	-44.197	-20.000	-70.000
76AlaC-77GlyN-77GlyCa-77GlyC	-64.973	-40.000	-90.000
77GlyN-77GlyCa-77GlyC-78IleN	-44.311	-20.000	-70.000
77GlyC-78IleN-78IleCa-78IleC	-64.729	-40.000	-90.000
78IleN-78IleCa-78IleC-79AspN	-43.169	-20.000	-70.000
78IleC-79AspN-79AspCa-79AspC	-63.043	-40.000	-80.000
79AspN-79AspCa-79AspC-80LeuN	-44.357	-20.000	-70.000
79AspC-80LeuN-80LeuCa-80LeuC	-64.977	-40.000	-80.000
80LeuN-80LeuCa-80LeuC-81IleN	-44.881	-20.000	-60.000
80LeuC-81IleN-81IleCa-81IleC	-65.051	-40.000	-90.000
81IleN-81IleCa-81IleC-82AsnN	-44.951	-20.000	-60.000
81IleC-82AsnN-82AsnCa-82AsnC	-60.938	-40.000	-80.000
82AsnN-82AsnCa-82AsnC-83AsnN	-42.642	-20.000	-70.000
82AsnC-83AsnN-83AsnCa-83AsnC	-58.813	-40.000	-80.000
83AsnN-83AsnCa-83AsnC-84LysN	-43.752	-20.000	-70.000
83AsnC-84LysN-84LysCa-84LysC	-64.880	-40.000	-80.000
84LysN-84LysCa-84LysC-85LeuN	-44.091	-20.000	-70.000
84LysC-85LeuN-85LeuCa-85LeuC	-58.579	-40.000	-80.000
85LeuN-85LeuCa-85LeuC-86GluN	-44.069	-20.000	-70.000
85LeuC-86GluN-86GluCa-86GluC	-64.761	-40.000	-80.000
86GluN-86GluCa-86GluC-87ArgN	-44.929	-20.000	-70.000
86GluC-87ArgN-87ArgCa-87ArgC	-56.205	-40.000	-80.000
87ArgN-87ArgCa-87ArgC-88GlnN	-44.629	-20.000	-70.000
87ArgC-88GlnN-88GlnCa-88GlnC	-64.901	-40.000	-90.000
88GlnN-88GlnCa-88GlnC-89ValN	-44.757	-20.000	-70.000
88GlnC-89ValN-89ValCa-89ValC	-64.940	-40.000	-80.000
89ValN-89ValCa-89ValC-90ArgN	-44.813	-20.000	-70.000
89ValC-90ArgN-90ArgCa-90ArgC	-61.911	-40.000	-80.000
90ArgN-90ArgCa-90ArgC-91LysN	-44.498	-20.000	-70.000
90ArgC-91LysN-91LysCa-91LysC	-62.313	-40.000	-90.000
91LysN-91LysCa-91LysC-92TyrN	-40.592	-10.000	-70.000
91LysC-92TyrN-92TyrCa-92TyrC	-63.468	-40.000	-90.000
92TyrN-92TyrCa-92TyrC-93LysN	-44.824	-20.000	-70.000
92TyrC-93LysN-93LysCa-93LysC	-55.956	-40.000	-80.000
93LysN-93LysCa-93LysC-94ThrN	-36.168	0.000	-70.000
93LysC-94ThrN-94ThrCa-94ThrC	-65.080	-40.000	-90.000
94ThrN-94ThrCa-94ThrC-95ArgN	-43.443	-10.000	-70.000
94ThrC-95ArgN-95ArgCa-95ArgC	-64.338	-40.000	-90.000
95ArgN-95ArgCa-95ArgC-96IleN	-23.070	0.000	-50.000
95ArgC-96IleN-96IleCa-96IleC	-75.857	-40.000	-110.000
96IleN-96IleCa-96IleC-97AsnN	-23.970	10.000	-60.000
96IleC-97AsnN-97AsnCa-97AsnC	-73.913	-40.000	-100.000
97AsnN-97AsnCa-97AsnC-98ArgN	-30.348	10.000	-70.000
97AsnC-98ArgN-98ArgCa-98ArgC	-64.716	-40.000	-90.000
98ArgN-98ArgCa-98ArgC-99LysN	-35.926	0.000	-70.000
98ArgC-99LysN-99LysCa-99LysC	-62.985	-40.000	-90.000
99LysN-99LysCa-99LysC-100SerN	-35.542	0.000	-70.000
99LysC-100SerN-100SerCa-100SerC	-67.461	-30.000	-100.000
100SerN-100SerCa-100SerC-101ArgN	-25.603	10.000	-70.000
100SerC-101ArgN-101ArgCa-101ArgC	-71.082	-30.000	-110.000
101ArgN-101ArgCa-101ArgC-102AspN	-29.626	10.000	-70.000
102AspC-103ArgN-103ArgCa-103ArgC	-85.894	-50.000	-120.000
103ArgN-103ArgCa-103ArgC-104GlyN	-8.070	30.000	-40.000
104GlyC-105AspN-105AspCa-105AspC	-75.000	-50.000	-90.000
105AspN-105AspCa-105AspC-106GlnN	-15.000	0.000	-30.000
106GlnC-107GluN-107GluCa-107GluC	-71.966	-40.000	-120.000
107GluN-107GluCa-107GluC-108ValN	-21.953	20.000	-70.000
107GluC-108ValN-108ValCa-108ValC	-74.757	-40.000	-120.000
108ValN-108ValCa-108ValC-109PheN	-17.295	20.000	-70.000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1   0.588  14.638  -7.742
    2    H2   MET   1           HT2      MET   1   1.756  14.629  -6.521
    3    H3   MET   1           HT3      MET   1   1.001  16.080  -6.961
    4    HA   MET   1           HA       MET   1   0.117  15.252  -4.891
    5    HB2  MET   1           HB2      MET   1  -1.359  16.516  -6.384
    6    HB3  MET   1           HB1      MET   1  -1.799  15.035  -7.221
    7    HG2  MET   1           HG2      MET   1  -2.823  14.179  -5.177
    8    HG3  MET   1           HG1      MET   1  -2.377  15.661  -4.334
    9    HE1  MET   1           HE1      MET   1  -3.403  18.026  -4.842
   10    HE2  MET   1           HE2      MET   1  -4.585  18.343  -6.112
   11    HE3  MET   1           HE3      MET   1  -2.931  17.904  -6.537
   12    H    ILE   2           HN       ILE   2  -0.188  13.522  -3.650
   13    HA   ILE   2           HA       ILE   2  -0.002  10.881  -4.637
   14    HB   ILE   2           HB       ILE   2  -0.649  10.187  -2.346
   15   HG12  ILE   2          HG12      ILE   2  -0.933  13.161  -1.832
   16   HG13  ILE   2          HG11      ILE   2  -2.266  12.014  -1.894
   17   HG21  ILE   2          HG21      ILE   2   1.389  12.408  -2.461
   18   HG22  ILE   2          HG22      ILE   2   1.672  10.720  -2.878
   19   HG23  ILE   2          HG23      ILE   2   1.289  11.164  -1.215
   20   HD11  ILE   2          HD11      ILE   2  -0.024  12.028   0.111
   21   HD12  ILE   2          HD12      ILE   2  -1.335  10.850   0.047
   22   HD13  ILE   2          HD13      ILE   2  -1.685  12.544   0.391
   23    H    ARG   3           HN       ARG   3  -1.519   9.675  -5.592
   24    HA   ARG   3           HA       ARG   3  -4.276  10.593  -5.520
   25    HB2  ARG   3           HB2      ARG   3  -2.785   8.868  -7.464
   26    HB3  ARG   3           HB1      ARG   3  -4.431   9.356  -7.605
   27    HG2  ARG   3           HG2      ARG   3  -3.886  11.589  -8.033
   28    HG3  ARG   3           HG1      ARG   3  -2.230  11.357  -7.468
   29    HD2  ARG   3           HD2      ARG   3  -2.395  11.506  -9.927
   30    HD3  ARG   3           HD1      ARG   3  -1.722   9.976  -9.375
   31    HE   ARG   3           HE       ARG   3  -3.711   8.887 -10.027
   32   HH11  ARG   3          HH11      ARG   3  -3.748  12.314 -10.762
   33   HH12  ARG   3          HH12      ARG   3  -4.998  12.176 -11.953
   34   HH21  ARG   3          HH21      ARG   3  -5.355   8.696 -11.626
   35   HH22  ARG   3          HH22      ARG   3  -5.913  10.128 -12.436
   36    H    PHE   4           HN       PHE   4  -5.898   9.046  -5.474
   37    HA   PHE   4           HA       PHE   4  -5.174   6.319  -4.740
   38    HB2  PHE   4           HB2      PHE   4  -6.810   6.247  -2.992
   39    HB3  PHE   4           HB1      PHE   4  -5.828   7.683  -2.744
   40    HD1  PHE   4           HD1      PHE   4  -6.760   9.928  -3.399
   41    HD2  PHE   4           HD2      PHE   4  -9.137   6.404  -3.195
   42    HE1  PHE   4           HE1      PHE   4  -8.792  11.310  -3.265
   43    HE2  PHE   4           HE2      PHE   4 -11.169   7.777  -3.066
   44    HZ   PHE   4           HZ       PHE   4 -11.000  10.232  -3.101
   45    H    GLU   5           HN       GLU   5  -5.891   5.070  -6.309
   46    HA   GLU   5           HA       GLU   5  -8.288   5.930  -7.773
   47    HB2  GLU   5           HB2      GLU   5  -5.793   4.600  -8.861
   48    HB3  GLU   5           HB1      GLU   5  -7.241   4.945  -9.801
   49    HG2  GLU   5           HG2      GLU   5  -6.946   7.326  -9.419
   50    HG3  GLU   5           HG1      GLU   5  -5.532   7.005  -8.421
   51    H    ILE   6           HN       ILE   6  -9.591   4.750  -6.564
   52    HA   ILE   6           HA       ILE   6  -9.110   1.882  -6.243
   53    HB   ILE   6           HB       ILE   6 -11.090   3.765  -4.961
   54   HG12  ILE   6          HG12      ILE   6  -8.642   2.508  -3.730
   55   HG13  ILE   6          HG11      ILE   6  -8.672   4.133  -4.403
   56   HG21  ILE   6          HG21      ILE   6 -11.947   1.461  -5.011
   57   HG22  ILE   6          HG22      ILE   6 -11.540   1.949  -3.365
   58   HG23  ILE   6          HG23      ILE   6 -10.456   0.892  -4.262
   59   HD11  ILE   6          HD11      ILE   6 -10.273   3.111  -2.074
   60   HD12  ILE   6          HD12      ILE   6 -10.446   4.714  -2.790
   61   HD13  ILE   6          HD13      ILE   6  -8.927   4.249  -2.030
   62    H    HIS   7           HN       HIS   7 -10.449   0.408  -7.066
   63    HA   HIS   7           HA       HIS   7 -13.056   1.250  -8.195
   64    HB2  HIS   7           HB2      HIS   7 -11.144  -0.894  -9.040
   65    HB3  HIS   7           HB1      HIS   7 -12.863  -1.104  -9.305
   66    HD1  HIS   7           HD1      HIS   7  -9.939   0.210 -10.932
   67    HD2  HIS   7           HD2      HIS   7 -13.982   1.171 -10.870
   68    HE1  HIS   7           HE1      HIS   7 -10.336   1.605 -12.986
   69    HE2  HIS   7           HE2      HIS   7 -12.802   2.128 -12.959
   70    H    GLY   8           HN       GLY   8 -14.233   0.942  -6.260
   71    HA2  GLY   8           HA2      GLY   8 -13.717  -1.683  -5.119
   72    HA3  GLY   8           HA1      GLY   8 -14.261  -0.316  -4.153
   73    H    ASP   9           HN       ASP   9 -15.198  -3.091  -5.841
   74    HA   ASP   9           HA       ASP   9 -18.019  -2.295  -5.859
   75    HB2  ASP   9           HB2      ASP   9 -16.704  -4.851  -6.812
   76    HB3  ASP   9           HB1      ASP   9 -18.428  -4.532  -6.874
   77    H    ASN  10           HN       ASN  10 -18.142  -2.096  -3.601
   78    HA   ASN  10           HA       ASN  10 -18.442  -4.677  -2.222
   79    HB2  ASN  10           HB2      ASN  10 -17.708  -3.607  -0.126
   80    HB3  ASN  10           HB1      ASN  10 -16.441  -3.563  -1.343
   81   HD21  ASN  10          HD21      ASN  10 -17.163  -1.882   1.072
   82   HD22  ASN  10          HD22      ASN  10 -17.114  -0.258   0.480
   83    H    LEU  11           HN       LEU  11 -19.524  -3.564   0.164
   84    HA   LEU  11           HA       LEU  11 -22.189  -2.947  -0.760
   85    HB2  LEU  11           HB2      LEU  11 -21.072  -3.131   2.043
   86    HB3  LEU  11           HB1      LEU  11 -22.763  -2.890   1.658
   87    HG   LEU  11           HG       LEU  11 -22.611  -5.134   0.410
   88   HD11  LEU  11          HD11      LEU  11 -20.212  -5.367   0.339
   89   HD12  LEU  11          HD12      LEU  11 -20.906  -6.670   1.304
   90   HD13  LEU  11          HD13      LEU  11 -20.123  -5.307   2.098
   91   HD21  LEU  11          HD21      LEU  11 -22.353  -5.020   3.410
   92   HD22  LEU  11          HD22      LEU  11 -22.989  -6.382   2.488
   93   HD23  LEU  11          HD23      LEU  11 -23.839  -4.837   2.479
   94    H    THR  12           HN       THR  12 -19.767  -1.354   1.286
   95    HA   THR  12           HA       THR  12 -21.259   1.129   1.194
   96    HB   THR  12           HB       THR  12 -19.200   1.864   2.636
   97    HG1  THR  12           HG1      THR  12 -18.968  -0.692   3.563
   98   HG21  THR  12          HG21      THR  12 -21.453   1.615   3.519
   99   HG22  THR  12          HG22      THR  12 -20.283   0.932   4.647
  100   HG23  THR  12          HG23      THR  12 -21.244  -0.133   3.620
  101    H    ILE  13           HN       ILE  13 -20.949   1.423  -1.131
  102    HA   ILE  13           HA       ILE  13 -18.241   2.231  -1.918
  103    HB   ILE  13           HB       ILE  13 -20.679   2.165  -3.701
  104   HG12  ILE  13          HG12      ILE  13 -18.661  -0.050  -3.274
  105   HG13  ILE  13          HG11      ILE  13 -20.324  -0.070  -2.698
  106   HG21  ILE  13          HG21      ILE  13 -19.032   2.010  -5.494
  107   HG22  ILE  13          HG22      ILE  13 -17.727   2.028  -4.309
  108   HG23  ILE  13          HG23      ILE  13 -18.757   3.445  -4.507
  109   HD11  ILE  13          HD11      ILE  13 -20.063  -1.388  -4.720
  110   HD12  ILE  13          HD12      ILE  13 -19.462   0.031  -5.577
  111   HD13  ILE  13          HD13      ILE  13 -21.126  -0.008  -4.995
  112    H    THR  14           HN       THR  14 -18.246   4.171  -0.621
  113    HA   THR  14           HA       THR  14 -19.601   6.369  -1.936
  114    HB   THR  14           HB       THR  14 -21.291   5.672  -0.345
  115    HG1  THR  14           HG1      THR  14 -21.648   7.646   0.550
  116   HG21  THR  14          HG21      THR  14 -20.890   5.743   2.079
  117   HG22  THR  14          HG22      THR  14 -19.181   6.046   1.772
  118   HG23  THR  14          HG23      THR  14 -19.907   4.517   1.278
  119    H    ASP  15           HN       ASP  15 -19.145   8.396  -0.236
  120    HA   ASP  15           HA       ASP  15 -16.383   8.869  -0.683
  121    HB2  ASP  15           HB2      ASP  15 -16.720  11.019   0.383
  122    HB3  ASP  15           HB1      ASP  15 -18.085  10.674  -0.670
  123    H    ALA  16           HN       ALA  16 -18.141   7.579   1.964
  124    HA   ALA  16           HA       ALA  16 -16.695   8.017   4.218
  125    HB1  ALA  16           HB1      ALA  16 -18.683   6.568   4.056
  126    HB2  ALA  16           HB2      ALA  16 -17.373   5.812   4.964
  127    HB3  ALA  16           HB3      ALA  16 -17.684   5.325   3.294
  128    H    ILE  17           HN       ILE  17 -16.088   5.258   2.093
  129    HA   ILE  17           HA       ILE  17 -13.661   4.527   3.362
  130    HB   ILE  17           HB       ILE  17 -14.943   3.735   0.772
  131   HG12  ILE  17          HG12      ILE  17 -14.994   1.490   2.124
  132   HG13  ILE  17          HG11      ILE  17 -14.690   2.533   3.516
  133   HG21  ILE  17          HG21      ILE  17 -12.409   2.609   1.976
  134   HG22  ILE  17          HG22      ILE  17 -12.546   3.504   0.461
  135   HG23  ILE  17          HG23      ILE  17 -13.283   1.908   0.613
  136   HD11  ILE  17          HD11      ILE  17 -16.736   3.730   3.100
  137   HD12  ILE  17          HD12      ILE  17 -17.060   2.002   3.220
  138   HD13  ILE  17          HD13      ILE  17 -17.030   2.787   1.639
  139    H    ARG  18           HN       ARG  18 -14.473   6.254   0.404
  140    HA   ARG  18           HA       ARG  18 -11.934   6.324  -0.671
  141    HB2  ARG  18           HB2      ARG  18 -14.119   8.407  -0.892
  142    HB3  ARG  18           HB1      ARG  18 -12.696   8.342  -1.922
  143    HG2  ARG  18           HG2      ARG  18 -13.405   6.113  -2.709
  144    HG3  ARG  18           HG1      ARG  18 -14.867   6.264  -1.733
  145    HD2  ARG  18           HD2      ARG  18 -15.409   6.867  -3.981
  146    HD3  ARG  18           HD1      ARG  18 -15.418   8.332  -3.002
  147    HE   ARG  18           HE       ARG  18 -12.890   7.894  -4.247
  148   HH11  ARG  18          HH11      ARG  18 -16.116   9.126  -4.785
  149   HH12  ARG  18          HH12      ARG  18 -15.651  10.135  -6.117
  150   HH21  ARG  18          HH21      ARG  18 -12.263   9.225  -6.003
  151   HH22  ARG  18          HH22      ARG  18 -13.459  10.181  -6.818
  152    H    ASN  19           HN       ASN  19 -13.613   8.590   1.436
  153    HA   ASN  19           HA       ASN  19 -11.488  10.315   2.020
  154    HB2  ASN  19           HB2      ASN  19 -13.871  10.753   2.593
  155    HB3  ASN  19           HB1      ASN  19 -13.784   9.495   3.819
  156   HD21  ASN  19          HD21      ASN  19 -12.859   9.930   5.761
  157   HD22  ASN  19          HD22      ASN  19 -12.278  11.497   6.213
  158    H    TYR  20           HN       TYR  20 -12.652   7.405   3.699
  159    HA   TYR  20           HA       TYR  20 -10.905   7.164   5.797
  160    HB2  TYR  20           HB2      TYR  20 -12.833   5.596   5.000
  161    HB3  TYR  20           HB1      TYR  20 -11.588   4.799   4.056
  162    HD1  TYR  20           HD1      TYR  20  -9.388   4.205   5.548
  163    HD2  TYR  20           HD2      TYR  20 -13.362   4.639   7.004
  164    HE1  TYR  20           HE1      TYR  20  -8.838   2.767   7.465
  165    HE2  TYR  20           HE2      TYR  20 -12.820   3.210   8.928
  166    HH   TYR  20           HH       TYR  20  -9.600   2.281   9.691
  167    H    ILE  21           HN       ILE  21 -10.275   6.524   2.392
  168    HA   ILE  21           HA       ILE  21  -7.778   5.136   2.938
  169    HB   ILE  21           HB       ILE  21  -9.142   5.933   0.368
  170   HG12  ILE  21          HG12      ILE  21 -10.422   4.232   1.541
  171   HG13  ILE  21          HG11      ILE  21  -9.645   3.505   0.140
  172   HG21  ILE  21          HG21      ILE  21  -6.735   5.751   0.058
  173   HG22  ILE  21          HG22      ILE  21  -7.552   4.413  -0.747
  174   HG23  ILE  21          HG23      ILE  21  -6.743   4.148   0.794
  175   HD11  ILE  21          HD11      ILE  21  -7.896   2.602   1.618
  176   HD12  ILE  21          HD12      ILE  21  -9.510   2.017   2.021
  177   HD13  ILE  21          HD13      ILE  21  -8.757   3.272   3.004
  178    H    GLU  22           HN       GLU  22  -9.185   8.110   1.991
  179    HA   GLU  22           HA       GLU  22  -6.872   9.249   0.934
  180    HB2  GLU  22           HB2      GLU  22  -9.098  10.179   0.465
  181    HB3  GLU  22           HB1      GLU  22  -9.247  10.646   2.153
  182    HG2  GLU  22           HG2      GLU  22  -7.296  12.139   1.870
  183    HG3  GLU  22           HG1      GLU  22  -7.271  11.725   0.157
  184    H    GLU  23           HN       GLU  23  -8.274   8.974   4.055
  185    HA   GLU  23           HA       GLU  23  -6.473  10.645   5.495
  186    HB2  GLU  23           HB2      GLU  23  -7.937   8.286   6.657
  187    HB3  GLU  23           HB1      GLU  23  -7.491   9.790   7.449
  188    HG2  GLU  23           HG2      GLU  23  -9.133  10.989   6.117
  189    HG3  GLU  23           HG1      GLU  23  -9.574   9.480   5.284
  190    H    LYS  24           HN       LYS  24  -6.758   7.131   4.993
  191    HA   LYS  24           HA       LYS  24  -4.489   6.355   6.432
  192    HB2  LYS  24           HB2      LYS  24  -6.353   5.103   4.760
  193    HB3  LYS  24           HB1      LYS  24  -4.796   4.783   4.020
  194    HG2  LYS  24           HG2      LYS  24  -5.397   3.001   5.548
  195    HG3  LYS  24           HG1      LYS  24  -3.967   3.859   6.120
  196    HD2  LYS  24           HD2      LYS  24  -5.462   5.191   7.617
  197    HD3  LYS  24           HD1      LYS  24  -6.793   4.142   7.130
  198    HE2  LYS  24           HE2      LYS  24  -5.619   2.210   8.014
  199    HE3  LYS  24           HE1      LYS  24  -4.241   3.221   8.443
  200    HZ1  LYS  24           HZ1      LYS  24  -5.529   2.881  10.386
  201    HZ2  LYS  24           HZ2      LYS  24  -6.963   3.308   9.609
  202    HZ3  LYS  24           HZ3      LYS  24  -5.783   4.484   9.910
  203    H    ILE  25           HN       ILE  25  -4.661   6.485   2.900
  204    HA   ILE  25           HA       ILE  25  -1.926   6.428   2.411
  205    HB   ILE  25           HB       ILE  25  -4.283   7.295   0.807
  206   HG12  ILE  25          HG12      ILE  25  -3.452   5.555  -0.721
  207   HG13  ILE  25          HG11      ILE  25  -2.033   5.336   0.293
  208   HG21  ILE  25          HG21      ILE  25  -2.872   7.904  -1.104
  209   HG22  ILE  25          HG22      ILE  25  -1.442   7.784  -0.079
  210   HG23  ILE  25          HG23      ILE  25  -2.661   9.015   0.249
  211   HD11  ILE  25          HD11      ILE  25  -3.692   3.584   0.634
  212   HD12  ILE  25          HD12      ILE  25  -4.872   4.799   1.126
  213   HD13  ILE  25          HD13      ILE  25  -3.429   4.527   2.101
  214    H    GLY  26           HN       GLY  26  -4.047   9.220   2.933
  215    HA2  GLY  26           HA2      GLY  26  -2.178  11.239   2.501
  216    HA3  GLY  26           HA1      GLY  26  -3.529  11.339   3.622
  217    H    LYS  27           HN       LYS  27  -2.684   9.203   5.383
  218    HA   LYS  27           HA       LYS  27  -0.945  10.896   6.937
  219    HB2  LYS  27           HB2      LYS  27  -2.782   8.679   7.480
  220    HB3  LYS  27           HB1      LYS  27  -1.347   8.697   8.491
  221    HG2  LYS  27           HG2      LYS  27  -3.237   9.871   9.521
  222    HG3  LYS  27           HG1      LYS  27  -1.862  10.938   9.241
  223    HD2  LYS  27           HD2      LYS  27  -2.970  11.716   7.154
  224    HD3  LYS  27           HD1      LYS  27  -4.377  10.742   7.585
  225    HE2  LYS  27           HE2      LYS  27  -4.616  12.023   9.660
  226    HE3  LYS  27           HE1      LYS  27  -3.217  12.997   9.218
  227    HZ1  LYS  27           HZ1      LYS  27  -5.781  12.848   7.730
  228    HZ2  LYS  27           HZ2      LYS  27  -4.428  13.739   7.248
  229    HZ3  LYS  27           HZ3      LYS  27  -5.244  14.147   8.670
  230    H    LEU  28           HN       LEU  28  -0.865   7.979   5.125
  231    HA   LEU  28           HA       LEU  28   1.623   7.021   6.081
  232    HB2  LEU  28           HB2      LEU  28   0.392   6.563   3.381
  233    HB3  LEU  28           HB1      LEU  28   1.579   5.550   4.193
  234    HG   LEU  28           HG       LEU  28  -1.167   6.112   5.266
  235   HD11  LEU  28          HD11      LEU  28  -1.254   4.859   3.122
  236   HD12  LEU  28          HD12      LEU  28  -1.790   3.887   4.488
  237   HD13  LEU  28          HD13      LEU  28  -0.182   3.642   3.808
  238   HD21  LEU  28          HD21      LEU  28   0.973   4.128   6.039
  239   HD22  LEU  28          HD22      LEU  28  -0.667   4.139   6.683
  240   HD23  LEU  28          HD23      LEU  28   0.403   5.507   6.979
  241    H    GLU  29           HN       GLU  29   0.699   8.864   3.199
  242    HA   GLU  29           HA       GLU  29   3.387   9.184   2.328
  243    HB2  GLU  29           HB2      GLU  29   0.890  10.649   1.478
  244    HB3  GLU  29           HB1      GLU  29   2.440  10.709   0.647
  245    HG2  GLU  29           HG2      GLU  29   0.582   8.371   0.942
  246    HG3  GLU  29           HG1      GLU  29   1.104   9.172  -0.540
  247    H    ARG  30           HN       ARG  30   1.294  11.020   4.460
  248    HA   ARG  30           HA       ARG  30   2.962  13.319   4.420
  249    HB2  ARG  30           HB2      ARG  30   0.891  12.457   6.298
  250    HB3  ARG  30           HB1      ARG  30   1.812  13.910   6.575
  251    HG2  ARG  30           HG2      ARG  30   0.029  13.314   4.223
  252    HG3  ARG  30           HG1      ARG  30  -0.308  14.438   5.538
  253    HD2  ARG  30           HD2      ARG  30   1.491  15.871   4.843
  254    HD3  ARG  30           HD1      ARG  30   2.021  14.699   3.640
  255    HE   ARG  30           HE       ARG  30  -0.657  15.888   3.447
  256   HH11  ARG  30          HH11      ARG  30   2.565  15.456   2.147
  257   HH12  ARG  30          HH12      ARG  30   2.157  16.053   0.574
  258   HH21  ARG  30          HH21      ARG  30  -1.204  16.693   1.373
  259   HH22  ARG  30          HH22      ARG  30   0.005  16.763   0.132
  260    H    TYR  31           HN       TYR  31   3.544  10.274   5.624
  261    HA   TYR  31           HA       TYR  31   5.321  11.039   7.739
  262    HB2  TYR  31           HB2      TYR  31   5.263   8.570   5.987
  263    HB3  TYR  31           HB1      TYR  31   6.380   8.790   7.325
  264    HD1  TYR  31           HD1      TYR  31   3.964   6.760   6.653
  265    HD2  TYR  31           HD2      TYR  31   4.537   9.999   9.352
  266    HE1  TYR  31           HE1      TYR  31   2.299   5.782   8.170
  267    HE2  TYR  31           HE2      TYR  31   2.867   9.026  10.875
  268    HH   TYR  31           HH       TYR  31   0.988   7.494  10.819
  269    H    PHE  32           HN       PHE  32   5.366  11.062   4.321
  270    HA   PHE  32           HA       PHE  32   8.224  11.696   4.226
  271    HB2  PHE  32           HB2      PHE  32   6.533  11.375   1.797
  272    HB3  PHE  32           HB1      PHE  32   8.215  10.960   2.048
  273    HD1  PHE  32           HD1      PHE  32   5.482   9.418   1.024
  274    HD2  PHE  32           HD2      PHE  32   8.170   9.166   4.335
  275    HE1  PHE  32           HE1      PHE  32   4.900   7.052   1.335
  276    HE2  PHE  32           HE2      PHE  32   7.586   6.799   4.629
  277    HZ   PHE  32           HZ       PHE  32   5.949   5.740   3.130
  278    H    ASN  33           HN       ASN  33   8.792  13.574   2.873
  279    HA   ASN  33           HA       ASN  33   6.461  15.190   2.191
  280    HB2  ASN  33           HB2      ASN  33   7.687  17.246   2.578
  281    HB3  ASN  33           HB1      ASN  33   7.756  16.255   4.028
  282   HD21  ASN  33          HD21      ASN  33   9.490  18.411   2.977
  283   HD22  ASN  33          HD22      ASN  33  11.085  17.740   2.955
  284    H    ASP  34           HN       ASP  34   9.371  13.765   1.135
  285    HA   ASP  34           HA       ASP  34   9.514  15.298  -1.221
  286    HB2  ASP  34           HB2      ASP  34  11.556  14.559   0.022
  287    HB3  ASP  34           HB1      ASP  34  11.193  12.924  -0.514
  288    H    VAL  35           HN       VAL  35   7.218  13.610  -0.712
  289    HA   VAL  35           HA       VAL  35   7.419  11.723  -2.935
  290    HB   VAL  35           HB       VAL  35   6.792  10.734  -0.814
  291   HG11  VAL  35          HG11      VAL  35   4.668  11.215   0.281
  292   HG12  VAL  35          HG12      VAL  35   4.374  12.519  -0.869
  293   HG13  VAL  35          HG13      VAL  35   5.726  12.627   0.258
  294   HG21  VAL  35          HG21      VAL  35   4.529  10.775  -2.802
  295   HG22  VAL  35          HG22      VAL  35   4.751   9.565  -1.538
  296   HG23  VAL  35          HG23      VAL  35   5.937   9.713  -2.835
  297    HA   PRO  36           HA       PRO  36   4.758  14.835  -4.929
  298    HB2  PRO  36           HB2      PRO  36   5.884  13.786  -7.402
  299    HB3  PRO  36           HB1      PRO  36   5.991  15.418  -6.739
  300    HG2  PRO  36           HG2      PRO  36   8.127  13.756  -6.891
  301    HG3  PRO  36           HG1      PRO  36   7.948  14.977  -5.618
  302    HD2  PRO  36           HD2      PRO  36   7.392  12.032  -5.508
  303    HD3  PRO  36           HD1      PRO  36   8.203  13.070  -4.314
  304    H    ASN  37           HN       ASN  37   5.357  11.450  -5.833
  305    HA   ASN  37           HA       ASN  37   2.532  11.244  -6.614
  306    HB2  ASN  37           HB2      ASN  37   4.870  10.066  -8.130
  307    HB3  ASN  37           HB1      ASN  37   3.177   9.728  -8.471
  308   HD21  ASN  37          HD21      ASN  37   5.755  11.996  -8.757
  309   HD22  ASN  37          HD22      ASN  37   4.935  13.121  -9.785
  310    H    ALA  38           HN       ALA  38   1.608   9.923  -5.236
  311    HA   ALA  38           HA       ALA  38   2.660   7.183  -5.037
  312    HB1  ALA  38           HB1      ALA  38   1.559   8.734  -2.676
  313    HB2  ALA  38           HB2      ALA  38   3.260   8.340  -2.921
  314    HB3  ALA  38           HB3      ALA  38   2.081   7.051  -2.672
  315    H    VAL  39           HN       VAL  39   0.979   5.714  -5.438
  316    HA   VAL  39           HA       VAL  39  -1.699   6.868  -5.764
  317    HB   VAL  39           HB       VAL  39   0.073   5.197  -7.480
  318   HG11  VAL  39          HG11      VAL  39  -2.903   4.974  -7.712
  319   HG12  VAL  39          HG12      VAL  39  -1.879   3.790  -6.887
  320   HG13  VAL  39          HG13      VAL  39  -1.662   4.099  -8.619
  321   HG21  VAL  39          HG21      VAL  39  -0.846   6.506  -9.254
  322   HG22  VAL  39          HG22      VAL  39  -0.371   7.574  -7.934
  323   HG23  VAL  39          HG23      VAL  39  -2.074   7.177  -8.179
  324    H    ALA  40           HN       ALA  40  -3.476   5.438  -5.299
  325    HA   ALA  40           HA       ALA  40  -2.752   2.735  -4.303
  326    HB1  ALA  40           HB1      ALA  40  -4.632   2.869  -2.722
  327    HB2  ALA  40           HB2      ALA  40  -4.936   4.534  -3.219
  328    HB3  ALA  40           HB3      ALA  40  -3.429   4.119  -2.403
  329    H    HIS  41           HN       HIS  41  -3.131   1.888  -6.351
  330    HA   HIS  41           HA       HIS  41  -5.774   2.045  -7.550
  331    HB2  HIS  41           HB2      HIS  41  -3.648   1.791  -8.896
  332    HB3  HIS  41           HB1      HIS  41  -3.469   0.187  -8.210
  333    HD1  HIS  41           HD1      HIS  41  -5.324  -1.597  -8.914
  334    HD2  HIS  41           HD2      HIS  41  -5.306   1.953 -11.075
  335    HE1  HIS  41           HE1      HIS  41  -6.660  -2.063 -10.990
  336    HE2  HIS  41           HE2      HIS  41  -6.773   0.145 -12.196
  337    H    VAL  42           HN       VAL  42  -7.250   1.126  -6.118
  338    HA   VAL  42           HA       VAL  42  -6.599  -1.565  -5.042
  339    HB   VAL  42           HB       VAL  42  -7.616   0.975  -3.857
  340   HG11  VAL  42          HG11      VAL  42  -8.383  -1.718  -2.798
  341   HG12  VAL  42          HG12      VAL  42  -9.462  -0.615  -3.648
  342   HG13  VAL  42          HG13      VAL  42  -8.773  -0.147  -2.093
  343   HG21  VAL  42          HG21      VAL  42  -5.345   0.237  -3.453
  344   HG22  VAL  42          HG22      VAL  42  -5.976  -1.333  -2.904
  345   HG23  VAL  42          HG23      VAL  42  -6.293   0.123  -1.956
  346    H    LYS  43           HN       LYS  43  -8.303  -2.918  -4.864
  347    HA   LYS  43           HA       LYS  43 -10.898  -2.110  -5.921
  348    HB2  LYS  43           HB2      LYS  43  -9.765  -2.665  -7.973
  349    HB3  LYS  43           HB1      LYS  43  -9.216  -4.188  -7.323
  350    HG2  LYS  43           HG2      LYS  43 -11.762  -4.684  -7.065
  351    HG3  LYS  43           HG1      LYS  43 -11.921  -3.407  -8.273
  352    HD2  LYS  43           HD2      LYS  43 -10.301  -5.939  -8.533
  353    HD3  LYS  43           HD1      LYS  43 -11.813  -5.571  -9.363
  354    HE2  LYS  43           HE2      LYS  43 -10.814  -4.003 -10.752
  355    HE3  LYS  43           HE1      LYS  43  -9.443  -3.770  -9.670
  356    HZ1  LYS  43           HZ1      LYS  43  -8.637  -5.960 -10.242
  357    HZ2  LYS  43           HZ2      LYS  43  -8.841  -5.036 -11.647
  358    HZ3  LYS  43           HZ3      LYS  43  -9.972  -6.225 -11.252
  359    H    VAL  44           HN       VAL  44 -12.120  -2.704  -4.433
  360    HA   VAL  44           HA       VAL  44 -11.844  -5.310  -3.100
  361    HB   VAL  44           HB       VAL  44 -12.204  -3.083  -1.798
  362   HG11  VAL  44          HG11      VAL  44 -14.932  -3.520  -2.943
  363   HG12  VAL  44          HG12      VAL  44 -13.848  -2.165  -3.301
  364   HG13  VAL  44          HG13      VAL  44 -14.534  -2.346  -1.681
  365   HG21  VAL  44          HG21      VAL  44 -14.156  -5.349  -1.410
  366   HG22  VAL  44          HG22      VAL  44 -13.813  -4.089  -0.224
  367   HG23  VAL  44          HG23      VAL  44 -12.549  -5.216  -0.703
  368    H    LYS  45           HN       LYS  45 -13.785  -6.517  -2.895
  369    HA   LYS  45           HA       LYS  45 -15.876  -6.230  -4.887
  370    HB2  LYS  45           HB2      LYS  45 -13.886  -8.526  -4.936
  371    HB3  LYS  45           HB1      LYS  45 -15.304  -8.401  -5.965
  372    HG2  LYS  45           HG2      LYS  45 -12.944  -6.525  -6.031
  373    HG3  LYS  45           HG1      LYS  45 -13.141  -7.921  -7.086
  374    HD2  LYS  45           HD2      LYS  45 -14.980  -5.538  -6.944
  375    HD3  LYS  45           HD1      LYS  45 -13.785  -5.845  -8.200
  376    HE2  LYS  45           HE2      LYS  45 -15.025  -8.042  -8.592
  377    HE3  LYS  45           HE1      LYS  45 -16.319  -7.347  -7.618
  378    HZ1  LYS  45           HZ1      LYS  45 -16.261  -5.416  -9.200
  379    HZ2  LYS  45           HZ2      LYS  45 -16.819  -6.875  -9.855
  380    HZ3  LYS  45           HZ3      LYS  45 -15.252  -6.349 -10.192
  381    H    THR  46           HN       THR  46 -17.473  -6.546  -3.398
  382    HA   THR  46           HA       THR  46 -17.821  -9.193  -2.343
  383    HB   THR  46           HB       THR  46 -16.395  -8.412  -0.590
  384    HG1  THR  46           HG1      THR  46 -17.999  -8.443   1.183
  385   HG21  THR  46          HG21      THR  46 -16.925  -6.454   0.785
  386   HG22  THR  46          HG22      THR  46 -18.273  -6.072  -0.286
  387   HG23  THR  46          HG23      THR  46 -16.618  -6.002  -0.891
  388    H    TYR  47           HN       TYR  47 -19.944  -9.639  -1.970
  389    HA   TYR  47           HA       TYR  47 -21.751  -7.362  -1.541
  390    HB2  TYR  47           HB2      TYR  47 -21.925  -8.499  -3.869
  391    HB3  TYR  47           HB1      TYR  47 -22.624  -9.858  -2.997
  392    HD1  TYR  47           HD1      TYR  47 -23.050  -6.210  -3.573
  393    HD2  TYR  47           HD2      TYR  47 -24.919  -9.885  -2.528
  394    HE1  TYR  47           HE1      TYR  47 -25.248  -5.117  -3.692
  395    HE2  TYR  47           HE2      TYR  47 -27.124  -8.802  -2.642
  396    HH   TYR  47           HH       TYR  47 -28.090  -6.571  -2.497
  397    H    SER  48           HN       SER  48 -20.822  -8.143   0.552
  398    HA   SER  48           HA       SER  48 -22.720  -9.369   2.175
  399    HB2  SER  48           HB2      SER  48 -20.524 -11.170   1.176
  400    HB3  SER  48           HB1      SER  48 -21.167 -11.388   2.799
  401    HG   SER  48           HG       SER  48 -22.786 -11.302   0.467
  402    H    ASN  49           HN       ASN  49 -22.244  -8.812   4.278
  403    HA   ASN  49           HA       ASN  49 -19.927  -7.192   4.721
  404    HB2  ASN  49           HB2      ASN  49 -20.748  -6.873   6.971
  405    HB3  ASN  49           HB1      ASN  49 -22.100  -6.765   5.854
  406   HD21  ASN  49          HD21      ASN  49 -22.025  -7.357   8.710
  407   HD22  ASN  49          HD22      ASN  49 -22.807  -8.889   8.899
  408    H    SER  50           HN       SER  50 -20.535 -10.507   4.877
  409    HA   SER  50           HA       SER  50 -18.383 -11.020   6.744
  410    HB2  SER  50           HB2      SER  50 -20.144 -13.014   5.310
  411    HB3  SER  50           HB1      SER  50 -19.090 -13.346   6.684
  412    HG   SER  50           HG       SER  50 -20.420 -11.784   7.857
  413    H    ALA  51           HN       ALA  51 -18.275 -10.048   3.870
  414    HA   ALA  51           HA       ALA  51 -16.111 -11.849   3.014
  415    HB1  ALA  51           HB1      ALA  51 -17.109 -10.897   0.633
  416    HB2  ALA  51           HB2      ALA  51 -18.568 -11.317   1.560
  417    HB3  ALA  51           HB3      ALA  51 -17.328 -12.540   1.273
  418    H    THR  52           HN       THR  52 -14.496 -10.936   1.820
  419    HA   THR  52           HA       THR  52 -14.963  -8.606   0.466
  420    HB   THR  52           HB       THR  52 -12.787  -8.490   2.548
  421    HG1  THR  52           HG1      THR  52 -15.032  -7.894   3.121
  422   HG21  THR  52          HG21      THR  52 -12.491  -6.153   1.581
  423   HG22  THR  52          HG22      THR  52 -13.351  -6.772   0.176
  424   HG23  THR  52          HG23      THR  52 -11.832  -7.512   0.679
  425    H    LYS  53           HN       LYS  53 -13.944  -8.768  -1.481
  426    HA   LYS  53           HA       LYS  53 -11.358 -10.156  -1.452
  427    HB2  LYS  53           HB2      LYS  53 -12.824 -11.396  -2.889
  428    HB3  LYS  53           HB1      LYS  53 -13.413  -9.928  -3.652
  429    HG2  LYS  53           HG2      LYS  53 -11.143  -9.564  -4.584
  430    HG3  LYS  53           HG1      LYS  53 -10.668 -11.127  -3.919
  431    HD2  LYS  53           HD2      LYS  53 -12.292 -12.257  -5.287
  432    HD3  LYS  53           HD1      LYS  53 -12.932 -10.717  -5.865
  433    HE2  LYS  53           HE2      LYS  53 -10.779 -10.218  -6.911
  434    HE3  LYS  53           HE1      LYS  53 -10.141 -11.754  -6.331
  435    HZ1  LYS  53           HZ1      LYS  53 -11.715 -12.920  -7.686
  436    HZ2  LYS  53           HZ2      LYS  53 -10.868 -11.829  -8.658
  437    HZ3  LYS  53           HZ3      LYS  53 -12.449 -11.478  -8.171
  438    H    ILE  54           HN       ILE  54  -9.654  -8.950  -1.765
  439    HA   ILE  54           HA       ILE  54 -10.114  -6.306  -2.954
  440    HB   ILE  54           HB       ILE  54  -8.207  -5.604  -1.334
  441   HG12  ILE  54          HG12      ILE  54  -8.701  -6.814   0.924
  442   HG13  ILE  54          HG11      ILE  54  -9.223  -8.150  -0.095
  443   HG21  ILE  54          HG21      ILE  54  -9.952  -4.958   0.216
  444   HG22  ILE  54          HG22      ILE  54 -11.016  -6.169  -0.535
  445   HG23  ILE  54          HG23      ILE  54 -10.416  -4.786  -1.489
  446   HD11  ILE  54          HD11      ILE  54  -7.009  -8.214  -1.130
  447   HD12  ILE  54          HD12      ILE  54  -6.929  -8.445   0.616
  448   HD13  ILE  54          HD13      ILE  54  -6.490  -6.889  -0.089
  449    H    GLU  55           HN       GLU  55  -8.334  -5.279  -3.875
  450    HA   GLU  55           HA       GLU  55  -5.840  -6.653  -3.991
  451    HB2  GLU  55           HB2      GLU  55  -5.944  -6.125  -6.542
  452    HB3  GLU  55           HB1      GLU  55  -6.496  -7.656  -5.910
  453    HG2  GLU  55           HG2      GLU  55  -8.779  -6.864  -5.998
  454    HG3  GLU  55           HG1      GLU  55  -8.207  -5.310  -6.585
  455    H    VAL  56           HN       VAL  56  -4.583  -5.172  -3.354
  456    HA   VAL  56           HA       VAL  56  -5.078  -2.368  -4.053
  457    HB   VAL  56           HB       VAL  56  -4.582  -2.100  -1.809
  458   HG11  VAL  56          HG11      VAL  56  -3.260  -4.739  -1.868
  459   HG12  VAL  56          HG12      VAL  56  -4.957  -4.439  -1.507
  460   HG13  VAL  56          HG13      VAL  56  -3.705  -3.809  -0.442
  461   HG21  VAL  56          HG21      VAL  56  -2.436  -1.324  -2.877
  462   HG22  VAL  56          HG22      VAL  56  -1.762  -2.924  -2.584
  463   HG23  VAL  56          HG23      VAL  56  -2.216  -1.902  -1.230
  464    H    THR  57           HN       THR  57  -3.606  -1.266  -5.079
  465    HA   THR  57           HA       THR  57  -0.907  -2.294  -5.286
  466    HB   THR  57           HB       THR  57  -2.311  -1.390  -7.829
  467    HG1  THR  57           HG1      THR  57  -2.397  -3.806  -6.569
  468   HG21  THR  57          HG21      THR  57   0.332  -2.758  -7.330
  469   HG22  THR  57          HG22      THR  57   0.096  -1.087  -7.841
  470   HG23  THR  57          HG23      THR  57  -0.344  -2.411  -8.921
  471    H    ILE  58           HN       ILE  58   0.046  -0.705  -4.418
  472    HA   ILE  58           HA       ILE  58  -0.891   2.081  -4.772
  473    HB   ILE  58           HB       ILE  58   0.218   0.455  -2.482
  474   HG12  ILE  58          HG12      ILE  58  -2.174   2.287  -2.620
  475   HG13  ILE  58          HG11      ILE  58  -2.232   0.552  -2.896
  476   HG21  ILE  58          HG21      ILE  58   0.359   2.496  -1.103
  477   HG22  ILE  58          HG22      ILE  58   0.020   3.474  -2.531
  478   HG23  ILE  58          HG23      ILE  58   1.506   2.529  -2.442
  479   HD11  ILE  58          HD11      ILE  58  -1.450   0.186  -0.603
  480   HD12  ILE  58          HD12      ILE  58  -2.954   1.105  -0.654
  481   HD13  ILE  58          HD13      ILE  58  -1.426   1.930  -0.345
  482    HA   PRO  59           HA       PRO  59   3.457   2.073  -6.509
  483    HB2  PRO  59           HB2      PRO  59   2.196   4.152  -8.210
  484    HB3  PRO  59           HB1      PRO  59   3.156   2.737  -8.683
  485    HG2  PRO  59           HG2      PRO  59   0.533   2.805  -9.110
  486    HG3  PRO  59           HG1      PRO  59   1.319   1.308  -8.566
  487    HD2  PRO  59           HD2      PRO  59  -0.173   3.344  -6.944
  488    HD3  PRO  59           HD1      PRO  59  -0.349   1.578  -6.939
  489    H    LEU  60           HN       LEU  60   4.382   3.117  -4.722
  490    HA   LEU  60           HA       LEU  60   4.209   6.026  -4.591
  491    HB2  LEU  60           HB2      LEU  60   5.631   3.885  -3.056
  492    HB3  LEU  60           HB1      LEU  60   6.289   5.502  -3.034
  493    HG   LEU  60           HG       LEU  60   4.154   6.337  -2.101
  494   HD11  LEU  60          HD11      LEU  60   3.429   3.419  -1.963
  495   HD12  LEU  60          HD12      LEU  60   2.669   4.627  -2.999
  496   HD13  LEU  60          HD13      LEU  60   2.521   4.749  -1.245
  497   HD21  LEU  60          HD21      LEU  60   5.994   5.772  -0.624
  498   HD22  LEU  60          HD22      LEU  60   5.457   4.093  -0.570
  499   HD23  LEU  60          HD23      LEU  60   4.451   5.364   0.127
  500    H    LYS  61           HN       LYS  61   6.637   7.036  -4.507
  501    HA   LYS  61           HA       LYS  61   7.885   6.770  -7.004
  502    HB2  LYS  61           HB2      LYS  61   9.356   7.305  -4.461
  503    HB3  LYS  61           HB1      LYS  61   9.717   7.942  -6.061
  504    HG2  LYS  61           HG2      LYS  61   7.635   9.314  -5.907
  505    HG3  LYS  61           HG1      LYS  61   7.484   8.783  -4.228
  506    HD2  LYS  61           HD2      LYS  61   9.826  10.271  -5.419
  507    HD3  LYS  61           HD1      LYS  61   8.594  10.957  -4.362
  508    HE2  LYS  61           HE2      LYS  61   9.299   9.563  -2.537
  509    HE3  LYS  61           HE1      LYS  61  10.410   8.684  -3.584
  510    HZ1  LYS  61           HZ1      LYS  61  11.703  10.691  -3.861
  511    HZ2  LYS  61           HZ2      LYS  61  11.556  10.317  -2.220
  512    HZ3  LYS  61           HZ3      LYS  61  10.625  11.563  -2.891
  513    H    ASN  62           HN       ASN  62   8.548   5.489  -3.835
  514    HA   ASN  62           HA       ASN  62  10.957   4.310  -4.517
  515    HB2  ASN  62           HB2      ASN  62  10.465   5.112  -2.290
  516    HB3  ASN  62           HB1      ASN  62   9.284   3.843  -2.166
  517   HD21  ASN  62          HD21      ASN  62  12.508   3.661  -3.545
  518   HD22  ASN  62          HD22      ASN  62  13.104   2.493  -2.420
  519    H    VAL  63           HN       VAL  63   7.946   2.826  -3.436
  520    HA   VAL  63           HA       VAL  63   8.460   0.502  -5.130
  521    HB   VAL  63           HB       VAL  63   9.303   0.052  -2.863
  522   HG11  VAL  63          HG11      VAL  63   7.866   1.471  -1.562
  523   HG12  VAL  63          HG12      VAL  63   7.723  -0.192  -0.990
  524   HG13  VAL  63          HG13      VAL  63   6.459   0.505  -2.003
  525   HG21  VAL  63          HG21      VAL  63   8.120  -2.071  -2.482
  526   HG22  VAL  63          HG22      VAL  63   8.493  -1.815  -4.187
  527   HG23  VAL  63          HG23      VAL  63   6.854  -1.547  -3.593
  528    H    THR  64           HN       THR  64   6.601  -0.742  -5.603
  529    HA   THR  64           HA       THR  64   4.020   0.632  -5.225
  530    HB   THR  64           HB       THR  64   4.858  -1.360  -7.349
  531    HG1  THR  64           HG1      THR  64   5.801   0.743  -7.592
  532   HG21  THR  64          HG21      THR  64   2.308   0.222  -7.017
  533   HG22  THR  64          HG22      THR  64   2.487  -1.526  -6.864
  534   HG23  THR  64          HG23      THR  64   2.725  -0.749  -8.428
  535    H    LEU  65           HN       LEU  65   2.845  -0.376  -3.600
  536    HA   LEU  65           HA       LEU  65   3.360  -3.222  -3.176
  537    HB2  LEU  65           HB2      LEU  65   1.909  -1.221  -1.474
  538    HB3  LEU  65           HB1      LEU  65   1.782  -2.945  -1.212
  539    HG   LEU  65           HG       LEU  65   4.420  -2.831  -1.321
  540   HD11  LEU  65          HD11      LEU  65   5.288  -0.887  -0.094
  541   HD12  LEU  65          HD12      LEU  65   3.681  -0.148  -0.153
  542   HD13  LEU  65          HD13      LEU  65   4.575  -0.423  -1.646
  543   HD21  LEU  65          HD21      LEU  65   2.702  -2.277   1.079
  544   HD22  LEU  65          HD22      LEU  65   4.393  -2.773   1.148
  545   HD23  LEU  65          HD23      LEU  65   3.188  -3.848   0.443
  546    H    ARG  66           HN       ARG  66   2.117  -4.747  -3.656
  547    HA   ARG  66           HA       ARG  66  -0.658  -4.100  -4.369
  548    HB2  ARG  66           HB2      ARG  66   0.445  -4.581  -6.290
  549    HB3  ARG  66           HB1      ARG  66   1.290  -5.968  -5.663
  550    HG2  ARG  66           HG2      ARG  66  -0.620  -7.304  -5.791
  551    HG3  ARG  66           HG1      ARG  66  -1.699  -5.906  -5.891
  552    HD2  ARG  66           HD2      ARG  66  -1.487  -6.984  -8.064
  553    HD3  ARG  66           HD1      ARG  66  -0.794  -5.360  -8.074
  554    HE   ARG  66           HE       ARG  66   1.022  -7.604  -7.625
  555   HH11  ARG  66          HH11      ARG  66  -0.229  -5.203  -9.854
  556   HH12  ARG  66          HH12      ARG  66   1.130  -5.318 -10.926
  557   HH21  ARG  66          HH21      ARG  66   2.794  -7.759  -9.045
  558   HH22  ARG  66          HH22      ARG  66   2.839  -6.769 -10.471
  559    H    ALA  67           HN       ALA  67  -2.144  -5.224  -3.405
  560    HA   ALA  67           HA       ALA  67  -1.444  -7.842  -2.202
  561    HB1  ALA  67           HB1      ALA  67  -3.333  -6.331  -0.543
  562    HB2  ALA  67           HB2      ALA  67  -1.693  -5.702  -0.557
  563    HB3  ALA  67           HB3      ALA  67  -1.989  -7.377  -0.080
  564    H    GLU  68           HN       GLU  68  -2.678  -9.296  -3.053
  565    HA   GLU  68           HA       GLU  68  -5.457  -8.600  -3.733
  566    HB2  GLU  68           HB2      GLU  68  -5.110 -10.338  -5.610
  567    HB3  GLU  68           HB1      GLU  68  -4.394  -8.744  -5.816
  568    HG2  GLU  68           HG2      GLU  68  -2.246  -9.659  -4.978
  569    HG3  GLU  68           HG1      GLU  68  -2.984 -11.257  -4.949
  570    H    GLU  69           HN       GLU  69  -6.754  -9.648  -2.358
  571    HA   GLU  69           HA       GLU  69  -6.435 -12.482  -1.911
  572    HB2  GLU  69           HB2      GLU  69  -4.794 -11.561  -0.319
  573    HB3  GLU  69           HB1      GLU  69  -6.050 -10.565   0.401
  574    HG2  GLU  69           HG2      GLU  69  -7.230 -12.554   1.144
  575    HG3  GLU  69           HG1      GLU  69  -6.019 -13.576   0.377
  576    H    ARG  70           HN       ARG  70  -8.260 -13.452  -1.057
  577    HA   ARG  70           HA       ARG  70 -10.597 -11.743  -0.629
  578    HB2  ARG  70           HB2      ARG  70 -10.405 -14.762  -0.790
  579    HB3  ARG  70           HB1      ARG  70 -11.893 -13.831  -0.687
  580    HG2  ARG  70           HG2      ARG  70 -11.365 -12.789  -2.850
  581    HG3  ARG  70           HG1      ARG  70  -9.915 -13.784  -2.956
  582    HD2  ARG  70           HD2      ARG  70 -11.669 -14.783  -4.267
  583    HD3  ARG  70           HD1      ARG  70 -11.333 -15.801  -2.868
  584    HE   ARG  70           HE       ARG  70 -13.358 -14.521  -1.885
  585   HH11  ARG  70          HH11      ARG  70 -12.995 -15.528  -5.227
  586   HH12  ARG  70          HH12      ARG  70 -14.702 -15.690  -5.490
  587   HH21  ARG  70          HH21      ARG  70 -15.602 -14.737  -2.244
  588   HH22  ARG  70          HH22      ARG  70 -16.176 -15.244  -3.801
  589    H    ASN  71           HN       ASN  71 -10.925 -11.076   1.375
  590    HA   ASN  71           HA       ASN  71 -10.432 -12.834   3.643
  591    HB2  ASN  71           HB2      ASN  71  -8.273 -11.610   3.135
  592    HB3  ASN  71           HB1      ASN  71  -9.093 -10.118   3.489
  593   HD21  ASN  71          HD21      ASN  71  -6.869 -10.927   4.590
  594   HD22  ASN  71          HD22      ASN  71  -7.185 -11.125   6.243
  595    H    ASP  72           HN       ASP  72 -11.752 -12.339   5.375
  596    HA   ASP  72           HA       ASP  72 -14.243 -11.365   4.874
  597    HB2  ASP  72           HB2      ASP  72 -12.869 -11.222   7.566
  598    HB3  ASP  72           HB1      ASP  72 -14.605 -11.215   7.288
  599    H    ASP  73           HN       ASP  73 -11.633  -9.533   6.412
  600    HA   ASP  73           HA       ASP  73 -13.178  -7.042   6.073
  601    HB2  ASP  73           HB2      ASP  73 -10.899  -7.832   7.885
  602    HB3  ASP  73           HB1      ASP  73 -11.315  -6.152   7.598
  603    H    LEU  74           HN       LEU  74 -12.945  -6.307   4.317
  604    HA   LEU  74           HA       LEU  74 -11.067  -5.704   2.582
  605    HB2  LEU  74           HB2      LEU  74 -13.204  -4.659   2.579
  606    HB3  LEU  74           HB1      LEU  74 -12.918  -4.067   4.218
  607    HG   LEU  74           HG       LEU  74 -11.523  -2.308   3.446
  608   HD11  LEU  74          HD11      LEU  74 -11.004  -2.041   1.011
  609   HD12  LEU  74          HD12      LEU  74 -11.555  -3.705   0.788
  610   HD13  LEU  74          HD13      LEU  74 -10.169  -3.361   1.831
  611   HD21  LEU  74          HD21      LEU  74 -13.906  -1.902   3.175
  612   HD22  LEU  74          HD22      LEU  74 -13.849  -2.579   1.547
  613   HD23  LEU  74          HD23      LEU  74 -12.984  -1.086   1.912
  614    H    TYR  75           HN       TYR  75 -11.384  -4.301   5.768
  615    HA   TYR  75           HA       TYR  75  -9.387  -2.413   5.251
  616    HB2  TYR  75           HB2      TYR  75 -10.907  -3.081   7.771
  617    HB3  TYR  75           HB1      TYR  75  -9.696  -1.809   7.685
  618    HD1  TYR  75           HD1      TYR  75 -10.151  -0.790   5.075
  619    HD2  TYR  75           HD2      TYR  75 -12.751  -2.082   8.106
  620    HE1  TYR  75           HE1      TYR  75 -11.804   0.683   4.254
  621    HE2  TYR  75           HE2      TYR  75 -14.423  -0.617   7.317
  622    HH   TYR  75           HH       TYR  75 -14.337   0.912   4.290
  623    H    ALA  76           HN       ALA  76  -9.495  -5.588   6.274
  624    HA   ALA  76           HA       ALA  76  -6.991  -5.690   7.717
  625    HB1  ALA  76           HB1      ALA  76  -7.414  -8.056   7.838
  626    HB2  ALA  76           HB2      ALA  76  -8.680  -7.921   6.613
  627    HB3  ALA  76           HB3      ALA  76  -8.915  -7.201   8.211
  628    H    GLY  77           HN       GLY  77  -8.347  -6.297   4.554
  629    HA2  GLY  77           HA2      GLY  77  -6.033  -7.509   3.421
  630    HA3  GLY  77           HA1      GLY  77  -7.384  -6.771   2.563
  631    H    ILE  78           HN       ILE  78  -7.374  -4.220   3.234
  632    HA   ILE  78           HA       ILE  78  -5.154  -3.118   2.003
  633    HB   ILE  78           HB       ILE  78  -7.392  -1.886   3.620
  634   HG12  ILE  78          HG12      ILE  78  -6.718  -1.913   0.671
  635   HG13  ILE  78          HG11      ILE  78  -7.998  -2.833   1.454
  636   HG21  ILE  78          HG21      ILE  78  -6.646   0.316   2.827
  637   HG22  ILE  78          HG22      ILE  78  -5.199  -0.425   2.143
  638   HG23  ILE  78          HG23      ILE  78  -5.454  -0.434   3.888
  639   HD11  ILE  78          HD11      ILE  78  -9.131  -0.752   2.038
  640   HD12  ILE  78          HD12      ILE  78  -8.888  -0.902   0.297
  641   HD13  ILE  78          HD13      ILE  78  -7.850   0.164   1.244
  642    H    ASP  79           HN       ASP  79  -5.935  -3.641   5.469
  643    HA   ASP  79           HA       ASP  79  -3.560  -2.383   6.558
  644    HB2  ASP  79           HB2      ASP  79  -5.483  -2.996   7.985
  645    HB3  ASP  79           HB1      ASP  79  -5.186  -4.697   7.645
  646    H    LEU  80           HN       LEU  80  -4.226  -5.646   5.379
  647    HA   LEU  80           HA       LEU  80  -1.732  -6.704   5.932
  648    HB2  LEU  80           HB2      LEU  80  -3.699  -7.860   4.800
  649    HB3  LEU  80           HB1      LEU  80  -3.200  -7.079   3.320
  650    HG   LEU  80           HG       LEU  80  -1.005  -8.240   3.494
  651   HD11  LEU  80          HD11      LEU  80  -0.953  -8.634   5.883
  652   HD12  LEU  80          HD12      LEU  80  -0.834 -10.164   5.015
  653   HD13  LEU  80          HD13      LEU  80  -2.359  -9.691   5.763
  654   HD21  LEU  80          HD21      LEU  80  -3.462  -9.985   3.425
  655   HD22  LEU  80          HD22      LEU  80  -1.868 -10.443   2.826
  656   HD23  LEU  80          HD23      LEU  80  -2.749  -9.120   2.063
  657    H    ILE  81           HN       ILE  81  -2.811  -4.962   3.032
  658    HA   ILE  81           HA       ILE  81  -0.166  -4.657   2.086
  659    HB   ILE  81           HB       ILE  81  -2.480  -4.386   0.850
  660   HG12  ILE  81          HG12      ILE  81  -1.201  -3.704  -1.005
  661   HG13  ILE  81          HG11      ILE  81  -0.203  -2.624  -0.044
  662   HG21  ILE  81          HG21      ILE  81  -3.076  -2.130   0.376
  663   HG22  ILE  81          HG22      ILE  81  -1.688  -1.511   1.269
  664   HG23  ILE  81          HG23      ILE  81  -3.011  -2.299   2.129
  665   HD11  ILE  81          HD11      ILE  81  -0.055  -5.599   0.296
  666   HD12  ILE  81          HD12      ILE  81   1.134  -4.369   0.726
  667   HD13  ILE  81          HD13      ILE  81   0.845  -4.764  -0.967
  668    H    ASN  82           HN       ASN  82  -2.040  -2.584   4.236
  669    HA   ASN  82           HA       ASN  82  -0.362  -0.278   3.847
  670    HB2  ASN  82           HB2      ASN  82  -2.713  -0.055   4.558
  671    HB3  ASN  82           HB1      ASN  82  -2.348  -0.923   6.040
  672   HD21  ASN  82          HD21      ASN  82  -3.012   0.779   7.327
  673   HD22  ASN  82          HD22      ASN  82  -2.077   2.226   7.497
  674    H    ASN  83           HN       ASN  83  -0.599  -2.888   6.106
  675    HA   ASN  83           HA       ASN  83   1.300  -1.765   7.949
  676    HB2  ASN  83           HB2      ASN  83   0.234  -3.206   9.313
  677    HB3  ASN  83           HB1      ASN  83  -0.810  -3.609   7.914
  678   HD21  ASN  83          HD21      ASN  83  -0.531  -5.558   6.925
  679   HD22  ASN  83          HD22      ASN  83   0.501  -6.815   7.518
  680    H    LYS  84           HN       LYS  84   1.133  -4.320   5.524
  681    HA   LYS  84           HA       LYS  84   3.919  -4.931   5.540
  682    HB2  LYS  84           HB2      LYS  84   2.189  -6.387   4.490
  683    HB3  LYS  84           HB1      LYS  84   1.968  -5.174   3.238
  684    HG2  LYS  84           HG2      LYS  84   4.329  -5.472   2.579
  685    HG3  LYS  84           HG1      LYS  84   4.472  -6.756   3.780
  686    HD2  LYS  84           HD2      LYS  84   2.587  -6.737   1.423
  687    HD3  LYS  84           HD1      LYS  84   4.080  -7.668   1.543
  688    HE2  LYS  84           HE2      LYS  84   3.139  -8.847   3.503
  689    HE3  LYS  84           HE1      LYS  84   1.631  -7.963   3.280
  690    HZ1  LYS  84           HZ1      LYS  84   1.504 -10.149   2.291
  691    HZ2  LYS  84           HZ2      LYS  84   2.855  -9.835   1.328
  692    HZ3  LYS  84           HZ3      LYS  84   1.426  -8.969   1.083
  693    H    LEU  85           HN       LEU  85   2.008  -2.361   4.194
  694    HA   LEU  85           HA       LEU  85   3.857  -1.330   2.355
  695    HB2  LEU  85           HB2      LEU  85   1.519  -0.544   2.499
  696    HB3  LEU  85           HB1      LEU  85   1.861   0.175   4.058
  697    HG   LEU  85           HG       LEU  85   3.495   1.089   1.740
  698   HD11  LEU  85          HD11      LEU  85   1.222   1.023   0.833
  699   HD12  LEU  85          HD12      LEU  85   1.769   2.681   1.079
  700   HD13  LEU  85          HD13      LEU  85   0.642   1.947   2.220
  701   HD21  LEU  85          HD21      LEU  85   3.918   1.966   3.979
  702   HD22  LEU  85          HD22      LEU  85   2.235   2.479   4.108
  703   HD23  LEU  85          HD23      LEU  85   3.297   3.233   2.919
  704    H    GLU  86           HN       GLU  86   3.234  -0.403   5.737
  705    HA   GLU  86           HA       GLU  86   5.480   1.162   6.128
  706    HB2  GLU  86           HB2      GLU  86   3.884   0.972   7.874
  707    HB3  GLU  86           HB1      GLU  86   4.039  -0.775   7.927
  708    HG2  GLU  86           HG2      GLU  86   5.077   0.259   9.859
  709    HG3  GLU  86           HG1      GLU  86   6.281  -0.552   8.862
  710    H    ARG  87           HN       ARG  87   5.163  -2.373   6.488
  711    HA   ARG  87           HA       ARG  87   7.798  -2.943   7.157
  712    HB2  ARG  87           HB2      ARG  87   6.082  -4.534   7.444
  713    HB3  ARG  87           HB1      ARG  87   5.828  -4.551   5.731
  714    HG2  ARG  87           HG2      ARG  87   8.039  -5.548   5.391
  715    HG3  ARG  87           HG1      ARG  87   8.255  -5.572   7.145
  716    HD2  ARG  87           HD2      ARG  87   6.309  -7.023   7.370
  717    HD3  ARG  87           HD1      ARG  87   6.062  -6.980   5.627
  718    HE   ARG  87           HE       ARG  87   8.654  -7.913   6.127
  719   HH11  ARG  87          HH11      ARG  87   5.325  -8.903   6.550
  720   HH12  ARG  87          HH12      ARG  87   5.682 -10.600   6.504
  721   HH21  ARG  87          HH21      ARG  87   9.136 -10.155   6.045
  722   HH22  ARG  87          HH22      ARG  87   7.855 -11.312   6.215
  723    H    GLN  88           HN       GLN  88   6.412  -2.553   3.939
  724    HA   GLN  88           HA       GLN  88   8.774  -3.805   2.731
  725    HB2  GLN  88           HB2      GLN  88   6.020  -3.716   2.061
  726    HB3  GLN  88           HB1      GLN  88   6.869  -2.810   0.821
  727    HG2  GLN  88           HG2      GLN  88   7.542  -5.622   1.665
  728    HG3  GLN  88           HG1      GLN  88   6.564  -5.196   0.264
  729   HE21  GLN  88          HE21      GLN  88   8.176  -2.900  -0.450
  730   HE22  GLN  88          HE22      GLN  88   9.648  -3.516  -1.106
  731    H    VAL  89           HN       VAL  89   6.866  -0.901   2.720
  732    HA   VAL  89           HA       VAL  89   8.373   0.720   1.141
  733    HB   VAL  89           HB       VAL  89   6.607   1.164   3.465
  734   HG11  VAL  89          HG11      VAL  89   8.400   2.798   3.871
  735   HG12  VAL  89          HG12      VAL  89   6.930   3.615   3.338
  736   HG13  VAL  89          HG13      VAL  89   8.265   3.378   2.211
  737   HG21  VAL  89          HG21      VAL  89   5.668   0.868   1.248
  738   HG22  VAL  89          HG22      VAL  89   6.634   2.207   0.628
  739   HG23  VAL  89          HG23      VAL  89   5.368   2.509   1.817
  740    H    ARG  90           HN       ARG  90   8.723   0.162   4.607
  741    HA   ARG  90           HA       ARG  90  11.113   1.739   4.747
  742    HB2  ARG  90           HB2      ARG  90  11.509   0.909   6.955
  743    HB3  ARG  90           HB1      ARG  90   9.800   1.319   6.789
  744    HG2  ARG  90           HG2      ARG  90   9.363  -1.121   6.401
  745    HG3  ARG  90           HG1      ARG  90  11.051  -1.416   6.823
  746    HD2  ARG  90           HD2      ARG  90   9.045  -0.039   8.599
  747    HD3  ARG  90           HD1      ARG  90   9.488  -1.740   8.716
  748    HE   ARG  90           HE       ARG  90  11.834  -0.824   9.100
  749   HH11  ARG  90          HH11      ARG  90   8.937   0.921  10.011
  750   HH12  ARG  90          HH12      ARG  90   9.669   1.647  11.412
  751   HH21  ARG  90          HH21      ARG  90  12.805   0.151  10.922
  752   HH22  ARG  90          HH22      ARG  90  11.876   1.224  11.919
  753    H    LYS  91           HN       LYS  91  10.534  -1.730   4.299
  754    HA   LYS  91           HA       LYS  91  13.163  -2.568   4.498
  755    HB2  LYS  91           HB2      LYS  91  11.300  -4.081   4.395
  756    HB3  LYS  91           HB1      LYS  91  11.117  -3.579   2.759
  757    HG2  LYS  91           HG2      LYS  91  12.186  -5.717   2.782
  758    HG3  LYS  91           HG1      LYS  91  13.305  -4.492   2.182
  759    HD2  LYS  91           HD2      LYS  91  14.286  -4.335   4.449
  760    HD3  LYS  91           HD1      LYS  91  13.212  -5.633   4.975
  761    HE2  LYS  91           HE2      LYS  91  15.330  -5.815   2.835
  762    HE3  LYS  91           HE1      LYS  91  15.416  -6.511   4.452
  763    HZ1  LYS  91           HZ1      LYS  91  13.457  -7.258   2.349
  764    HZ2  LYS  91           HZ2      LYS  91  13.534  -7.923   3.897
  765    HZ3  LYS  91           HZ3      LYS  91  14.806  -8.167   2.811
  766    H    TYR  92           HN       TYR  92  11.330  -1.399   1.810
  767    HA   TYR  92           HA       TYR  92  13.386  -1.786  -0.119
  768    HB2  TYR  92           HB2      TYR  92  10.801  -1.563  -0.424
  769    HB3  TYR  92           HB1      TYR  92  11.140   0.161  -0.505
  770    HD1  TYR  92           HD1      TYR  92  10.667  -2.684  -2.422
  771    HD2  TYR  92           HD2      TYR  92  13.200   0.722  -2.175
  772    HE1  TYR  92           HE1      TYR  92  11.207  -2.919  -4.807
  773    HE2  TYR  92           HE2      TYR  92  13.744   0.498  -4.560
  774    HH   TYR  92           HH       TYR  92  13.768  -1.330  -6.277
  775    H    LYS  93           HN       LYS  93  12.066   1.210   1.376
  776    HA   LYS  93           HA       LYS  93  13.889   2.882   0.008
  777    HB2  LYS  93           HB2      LYS  93  13.129   4.677   1.442
  778    HB3  LYS  93           HB1      LYS  93  11.756   3.714   0.923
  779    HG2  LYS  93           HG2      LYS  93  11.688   2.609   3.077
  780    HG3  LYS  93           HG1      LYS  93  13.107   3.511   3.604
  781    HD2  LYS  93           HD2      LYS  93  11.826   5.612   3.277
  782    HD3  LYS  93           HD1      LYS  93  10.405   4.643   2.882
  783    HE2  LYS  93           HE2      LYS  93  10.482   3.616   5.094
  784    HE3  LYS  93           HE1      LYS  93  11.922   4.554   5.488
  785    HZ1  LYS  93           HZ1      LYS  93  10.590   6.578   5.197
  786    HZ2  LYS  93           HZ2      LYS  93   9.995   5.587   6.431
  787    HZ3  LYS  93           HZ3      LYS  93   9.213   5.630   4.935
  788    H    THR  94           HN       THR  94  13.954   1.413   3.226
  789    HA   THR  94           HA       THR  94  16.326   2.780   3.995
  790    HB   THR  94           HB       THR  94  14.820   0.446   5.181
  791    HG1  THR  94           HG1      THR  94  15.066   3.198   5.620
  792   HG21  THR  94          HG21      THR  94  17.198   0.072   5.666
  793   HG22  THR  94          HG22      THR  94  16.330   0.571   7.117
  794   HG23  THR  94          HG23      THR  94  17.345   1.727   6.255
  795    H    ARG  95           HN       ARG  95  15.682  -0.377   2.479
  796    HA   ARG  95           HA       ARG  95  18.394  -1.239   2.574
  797    HB2  ARG  95           HB2      ARG  95  16.418  -2.725   2.149
  798    HB3  ARG  95           HB1      ARG  95  16.288  -2.018   0.549
  799    HG2  ARG  95           HG2      ARG  95  18.832  -3.324   1.427
  800    HG3  ARG  95           HG1      ARG  95  17.477  -4.288   0.846
  801    HD2  ARG  95           HD2      ARG  95  18.882  -2.086  -0.663
  802    HD3  ARG  95           HD1      ARG  95  19.045  -3.817  -0.955
  803    HE   ARG  95           HE       ARG  95  16.341  -3.205  -1.165
  804   HH11  ARG  95          HH11      ARG  95  19.331  -2.450  -2.814
  805   HH12  ARG  95          HH12      ARG  95  18.573  -2.183  -4.352
  806   HH21  ARG  95          HH21      ARG  95  15.327  -2.864  -3.188
  807   HH22  ARG  95          HH22      ARG  95  16.282  -2.406  -4.561
  808    H    ILE  96           HN       ILE  96  16.476   0.436   0.070
  809    HA   ILE  96           HA       ILE  96  18.645   0.541  -1.774
  810    HB   ILE  96           HB       ILE  96  16.193   0.724  -2.391
  811   HG12  ILE  96          HG12      ILE  96  16.606   2.335  -4.239
  812   HG13  ILE  96          HG11      ILE  96  18.092   2.835  -3.440
  813   HG21  ILE  96          HG21      ILE  96  15.147   2.906  -2.347
  814   HG22  ILE  96          HG22      ILE  96  16.570   3.597  -1.567
  815   HG23  ILE  96          HG23      ILE  96  15.587   2.410  -0.712
  816   HD11  ILE  96          HD11      ILE  96  18.484   1.265  -5.277
  817   HD12  ILE  96          HD12      ILE  96  17.514   0.056  -4.435
  818   HD13  ILE  96          HD13      ILE  96  19.024   0.626  -3.726
  819    H    ASN  97           HN       ASN  97  17.700   2.501   0.923
  820    HA   ASN  97           HA       ASN  97  19.379   4.723   0.240
  821    HB2  ASN  97           HB2      ASN  97  17.504   4.971   1.823
  822    HB3  ASN  97           HB1      ASN  97  18.300   3.867   2.937
  823   HD21  ASN  97          HD21      ASN  97  19.859   6.379   1.021
  824   HD22  ASN  97          HD22      ASN  97  20.370   7.333   2.368
  825    H    ARG  98           HN       ARG  98  19.690   1.861   2.294
  826    HA   ARG  98           HA       ARG  98  22.282   2.613   3.260
  827    HB2  ARG  98           HB2      ARG  98  20.570   0.168   3.570
  828    HB3  ARG  98           HB1      ARG  98  22.221   0.203   4.167
  829    HG2  ARG  98           HG2      ARG  98  21.686   2.077   5.611
  830    HG3  ARG  98           HG1      ARG  98  20.038   2.110   4.978
  831    HD2  ARG  98           HD2      ARG  98  20.206   0.966   7.161
  832    HD3  ARG  98           HD1      ARG  98  19.599  -0.083   5.883
  833    HE   ARG  98           HE       ARG  98  22.360  -0.446   6.004
  834   HH11  ARG  98          HH11      ARG  98  19.579  -0.945   8.087
  835   HH12  ARG  98          HH12      ARG  98  20.272  -2.314   8.896
  836   HH21  ARG  98          HH21      ARG  98  23.268  -2.263   7.060
  837   HH22  ARG  98          HH22      ARG  98  22.364  -3.065   8.314
  838    H    LYS  99           HN       LYS  99  21.381   1.327   0.309
  839    HA   LYS  99           HA       LYS  99  23.267  -0.738  -0.010
  840    HB2  LYS  99           HB2      LYS  99  22.913  -0.496  -2.433
  841    HB3  LYS  99           HB1      LYS  99  21.404  -0.548  -1.542
  842    HG2  LYS  99           HG2      LYS  99  21.039   1.090  -3.131
  843    HG3  LYS  99           HG1      LYS  99  21.462   2.017  -1.694
  844    HD2  LYS  99           HD2      LYS  99  23.718   2.326  -2.514
  845    HD3  LYS  99           HD1      LYS  99  23.385   1.293  -3.905
  846    HE2  LYS  99           HE2      LYS  99  21.957   3.883  -3.308
  847    HE3  LYS  99           HE1      LYS  99  23.314   3.725  -4.421
  848    HZ1  LYS  99           HZ1      LYS  99  21.976   2.158  -5.728
  849    HZ2  LYS  99           HZ2      LYS  99  21.250   3.680  -5.626
  850    HZ3  LYS  99           HZ3      LYS  99  20.667   2.407  -4.686
  851    H    SER 100           HN       SER 100  23.691   2.634   0.122
  852    HA   SER 100           HA       SER 100  26.124   2.745  -1.379
  853    HB2  SER 100           HB2      SER 100  26.279   5.015  -0.131
  854    HB3  SER 100           HB1      SER 100  24.966   4.784  -1.287
  855    HG   SER 100           HG       SER 100  24.726   5.466   1.212
  856    H    ARG 101           HN       ARG 101  25.265   2.563   2.042
  857    HA   ARG 101           HA       ARG 101  28.061   2.548   2.822
  858    HB2  ARG 101           HB2      ARG 101  26.832   2.138   5.153
  859    HB3  ARG 101           HB1      ARG 101  27.000   3.734   4.439
  860    HG2  ARG 101           HG2      ARG 101  24.773   3.806   3.770
  861    HG3  ARG 101           HG1      ARG 101  24.580   2.057   3.902
  862    HD2  ARG 101           HD2      ARG 101  25.145   3.809   6.279
  863    HD3  ARG 101           HD1      ARG 101  23.506   3.459   5.725
  864    HE   ARG 101           HE       ARG 101  24.443   0.997   5.945
  865   HH11  ARG 101          HH11      ARG 101  24.807   3.698   8.155
  866   HH12  ARG 101          HH12      ARG 101  24.937   2.686   9.558
  867   HH21  ARG 101          HH21      ARG 101  24.616  -0.315   7.775
  868   HH22  ARG 101          HH22      ARG 101  24.814   0.401   9.345
  869    H    ASP 102           HN       ASP 102  25.287   0.326   2.935
  870    HA   ASP 102           HA       ASP 102  26.962  -1.789   4.017
  871    HB2  ASP 102           HB2      ASP 102  24.048  -1.784   3.190
  872    HB3  ASP 102           HB1      ASP 102  24.878  -3.161   3.905
  873    H    ARG 103           HN       ARG 103  28.441  -2.268   2.465
  874    HA   ARG 103           HA       ARG 103  27.689  -2.585  -0.295
  875    HB2  ARG 103           HB2      ARG 103  30.293  -3.225   1.095
  876    HB3  ARG 103           HB1      ARG 103  30.045  -3.179  -0.642
  877    HG2  ARG 103           HG2      ARG 103  29.577  -0.799  -0.534
  878    HG3  ARG 103           HG1      ARG 103  29.773  -0.831   1.221
  879    HD2  ARG 103           HD2      ARG 103  32.097  -1.640   0.890
  880    HD3  ARG 103           HD1      ARG 103  31.879  -1.448  -0.847
  881    HE   ARG 103           HE       ARG 103  31.257   0.982   0.388
  882   HH11  ARG 103          HH11      ARG 103  34.021  -1.079  -0.202
  883   HH12  ARG 103          HH12      ARG 103  35.165   0.223  -0.148
  884   HH21  ARG 103          HH21      ARG 103  32.752   2.702   0.458
  885   HH22  ARG 103          HH22      ARG 103  34.441   2.380   0.220
  886    H    GLY 104           HN       GLY 104  28.239  -4.680   2.447
  887    HA2  GLY 104           HA2      GLY 104  28.293  -7.008   0.647
  888    HA3  GLY 104           HA1      GLY 104  28.995  -6.964   2.250
  889    H    ASP 105           HN       ASP 105  25.721  -5.908   1.301
  890    HA   ASP 105           HA       ASP 105  24.663  -7.872   3.187
  891    HB2  ASP 105           HB2      ASP 105  23.729  -5.572   3.195
  892    HB3  ASP 105           HB1      ASP 105  23.172  -5.813   1.541
  893    H    GLN 106           HN       GLN 106  24.728  -7.164  -0.232
  894    HA   GLN 106           HA       GLN 106  23.596  -9.827  -0.773
  895    HB2  GLN 106           HB2      GLN 106  23.809  -7.433  -2.611
  896    HB3  GLN 106           HB1      GLN 106  23.132  -8.994  -3.051
  897    HG2  GLN 106           HG2      GLN 106  21.375  -8.694  -1.377
  898    HG3  GLN 106           HG1      GLN 106  22.048  -7.122  -0.957
  899   HE21  GLN 106          HE21      GLN 106  22.706  -6.532  -3.764
  900   HE22  GLN 106          HE22      GLN 106  21.203  -6.136  -4.520
  901    H    GLU 107           HN       GLU 107  26.423  -8.170  -0.514
  902    HA   GLU 107           HA       GLU 107  27.768  -9.652  -2.664
  903    HB2  GLU 107           HB2      GLU 107  27.941  -7.212  -2.834
  904    HB3  GLU 107           HB1      GLU 107  28.601  -7.131  -1.212
  905    HG2  GLU 107           HG2      GLU 107  30.280  -6.884  -3.006
  906    HG3  GLU 107           HG1      GLU 107  30.610  -8.213  -1.898
  907    H    VAL 108           HN       VAL 108  29.509 -10.935  -2.219
  908    HA   VAL 108           HA       VAL 108  29.936 -11.554   0.622
  909    HB   VAL 108           HB       VAL 108  30.820 -13.262  -1.703
  910   HG11  VAL 108          HG11      VAL 108  30.720 -15.078  -0.061
  911   HG12  VAL 108          HG12      VAL 108  30.223 -13.925   1.178
  912   HG13  VAL 108          HG13      VAL 108  31.822 -13.798   0.446
  913   HG21  VAL 108          HG21      VAL 108  28.174 -13.406  -0.266
  914   HG22  VAL 108          HG22      VAL 108  28.766 -14.559  -1.462
  915   HG23  VAL 108          HG23      VAL 108  28.421 -12.896  -1.936
  916    H    PHE 109           HN       PHE 109  31.146  -9.725  -1.651
  917    HA   PHE 109           HA       PHE 109  33.033  -8.525  -1.930
  918    HB2  PHE 109           HB2      PHE 109  33.884  -9.895   0.623
  919    HB3  PHE 109           HB1      PHE 109  34.825  -8.642  -0.179
  920    HD1  PHE 109           HD1      PHE 109  33.645  -6.392  -0.589
  921    HD2  PHE 109           HD2      PHE 109  32.263  -9.314   2.177
  922    HE1  PHE 109           HE1      PHE 109  32.366  -4.658   0.597
  923    HE2  PHE 109           HE2      PHE 109  30.981  -7.586   3.368
  924    HZ   PHE 109           HZ       PHE 109  31.031  -5.254   2.577
  925    H    VAL 110           HN       VAL 110  32.923 -10.258  -3.708
  926    HA   VAL 110           HA       VAL 110  35.210 -12.050  -3.700
  927    HB   VAL 110           HB       VAL 110  33.220 -11.472  -5.906
  928   HG11  VAL 110          HG11      VAL 110  34.044 -13.575  -6.887
  929   HG12  VAL 110          HG12      VAL 110  35.269 -13.667  -5.622
  930   HG13  VAL 110          HG13      VAL 110  35.304 -12.345  -6.787
  931   HG21  VAL 110          HG21      VAL 110  33.324 -13.727  -3.906
  932   HG22  VAL 110          HG22      VAL 110  32.215 -13.627  -5.273
  933   HG23  VAL 110          HG23      VAL 110  32.120 -12.440  -3.972
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  -0.631  14.577  -7.954
    2    H2   MET   1           HT2      MET   1  -0.274  16.097  -7.312
    3    H3   MET   1           HT3      MET   1  -1.695  15.301  -6.858
    4    HA   MET   1           HA       MET   1   1.062  14.406  -6.266
    5    HB2  MET   1           HB2      MET   1  -1.093  15.473  -4.427
    6    HB3  MET   1           HB1      MET   1   0.474  14.870  -3.919
    7    HG2  MET   1           HG2      MET   1   1.530  16.685  -5.246
    8    HG3  MET   1           HG1      MET   1  -0.081  17.331  -5.551
    9    HE1  MET   1           HE1      MET   1  -1.253  18.158  -1.864
   10    HE2  MET   1           HE2      MET   1  -1.471  16.622  -2.702
   11    HE3  MET   1           HE3      MET   1  -1.727  18.138  -3.563
   12    H    ILE   2           HN       ILE   2   0.145  13.176  -3.843
   13    HA   ILE   2           HA       ILE   2  -0.410  10.591  -4.488
   14    HB   ILE   2           HB       ILE   2   0.190  11.123  -2.251
   15   HG12  ILE   2          HG12      ILE   2  -2.668  10.127  -2.296
   16   HG13  ILE   2          HG11      ILE   2  -1.214   9.144  -2.420
   17   HG21  ILE   2          HG21      ILE   2  -1.229  12.411  -0.726
   18   HG22  ILE   2          HG22      ILE   2  -2.370  12.702  -2.038
   19   HG23  ILE   2          HG23      ILE   2  -0.739  13.366  -2.127
   20   HD11  ILE   2          HD11      ILE   2  -0.600   9.740  -0.150
   21   HD12  ILE   2          HD12      ILE   2  -2.212   9.028  -0.201
   22   HD13  ILE   2          HD13      ILE   2  -2.024  10.772  -0.024
   23    H    ARG   3           HN       ARG   3  -2.062   9.612  -5.490
   24    HA   ARG   3           HA       ARG   3  -4.765  10.539  -4.999
   25    HB2  ARG   3           HB2      ARG   3  -5.016   9.713  -7.454
   26    HB3  ARG   3           HB1      ARG   3  -4.527  11.350  -7.107
   27    HG2  ARG   3           HG2      ARG   3  -2.183  10.662  -7.464
   28    HG3  ARG   3           HG1      ARG   3  -2.755   9.046  -7.887
   29    HD2  ARG   3           HD2      ARG   3  -3.373  11.622  -9.326
   30    HD3  ARG   3           HD1      ARG   3  -2.349  10.306  -9.903
   31    HE   ARG   3           HE       ARG   3  -4.846   9.207  -9.382
   32   HH11  ARG   3          HH11      ARG   3  -3.519  11.659 -11.511
   33   HH12  ARG   3          HH12      ARG   3  -4.694  11.386 -12.756
   34   HH21  ARG   3          HH21      ARG   3  -6.379   8.846 -11.003
   35   HH22  ARG   3          HH22      ARG   3  -6.323   9.774 -12.471
   36    H    PHE   4           HN       PHE   4  -6.301   8.975  -4.922
   37    HA   PHE   4           HA       PHE   4  -5.318   6.215  -4.867
   38    HB2  PHE   4           HB2      PHE   4  -7.308   5.738  -3.442
   39    HB3  PHE   4           HB1      PHE   4  -6.183   6.883  -2.727
   40    HD1  PHE   4           HD1      PHE   4  -6.768   9.258  -2.555
   41    HD2  PHE   4           HD2      PHE   4  -9.540   6.373  -4.004
   42    HE1  PHE   4           HE1      PHE   4  -8.610  10.845  -2.181
   43    HE2  PHE   4           HE2      PHE   4 -11.384   7.957  -3.639
   44    HZ   PHE   4           HZ       PHE   4 -10.920  10.194  -2.727
   45    H    GLU   5           HN       GLU   5  -6.009   4.830  -6.335
   46    HA   GLU   5           HA       GLU   5  -8.299   5.604  -8.006
   47    HB2  GLU   5           HB2      GLU   5  -5.994   3.855  -8.889
   48    HB3  GLU   5           HB1      GLU   5  -7.234   4.578  -9.895
   49    HG2  GLU   5           HG2      GLU   5  -5.051   6.061  -8.455
   50    HG3  GLU   5           HG1      GLU   5  -5.084   5.681 -10.174
   51    H    ILE   6           HN       ILE   6  -9.590   4.571  -6.547
   52    HA   ILE   6           HA       ILE   6  -9.176   1.719  -6.099
   53    HB   ILE   6           HB       ILE   6 -11.080   3.740  -4.942
   54   HG12  ILE   6          HG12      ILE   6  -8.816   2.281  -3.586
   55   HG13  ILE   6          HG11      ILE   6  -8.648   3.874  -4.312
   56   HG21  ILE   6          HG21      ILE   6 -12.096   1.444  -5.022
   57   HG22  ILE   6          HG22      ILE   6 -11.821   2.010  -3.374
   58   HG23  ILE   6          HG23      ILE   6 -10.720   0.843  -4.096
   59   HD11  ILE   6          HD11      ILE   6  -8.964   4.071  -1.940
   60   HD12  ILE   6          HD12      ILE   6 -10.448   3.124  -2.023
   61   HD13  ILE   6          HD13      ILE   6 -10.373   4.717  -2.779
   62    H    HIS   7           HN       HIS   7 -10.377   0.258  -7.037
   63    HA   HIS   7           HA       HIS   7 -12.975   1.023  -8.219
   64    HB2  HIS   7           HB2      HIS   7 -11.018  -1.146  -8.918
   65    HB3  HIS   7           HB1      HIS   7 -12.730  -1.314  -9.288
   66    HD1  HIS   7           HD1      HIS   7 -13.504  -0.242 -11.433
   67    HD2  HIS   7           HD2      HIS   7  -9.769   1.131 -10.231
   68    HE1  HIS   7           HE1      HIS   7 -12.662   1.181 -13.328
   69    HE2  HIS   7           HE2      HIS   7 -10.343   1.881 -12.634
   70    H    GLY   8           HN       GLY   8 -14.108   0.810  -6.239
   71    HA2  GLY   8           HA2      GLY   8 -13.740  -1.834  -5.104
   72    HA3  GLY   8           HA1      GLY   8 -14.188  -0.454  -4.122
   73    H    ASP   9           HN       ASP   9 -15.351  -3.228  -5.413
   74    HA   ASP   9           HA       ASP   9 -18.085  -2.148  -5.620
   75    HB2  ASP   9           HB2      ASP   9 -16.761  -4.378  -7.151
   76    HB3  ASP   9           HB1      ASP   9 -18.514  -4.274  -7.012
   77    H    ASN  10           HN       ASN  10 -18.937  -2.490  -3.691
   78    HA   ASN  10           HA       ASN  10 -19.385  -5.181  -2.824
   79    HB2  ASN  10           HB2      ASN  10 -18.451  -4.962  -0.569
   80    HB3  ASN  10           HB1      ASN  10 -17.197  -4.851  -1.790
   81   HD21  ASN  10          HD21      ASN  10 -17.576  -2.110  -2.482
   82   HD22  ASN  10          HD22      ASN  10 -17.071  -1.165  -1.124
   83    H    LEU  11           HN       LEU  11 -19.440  -1.864  -1.529
   84    HA   LEU  11           HA       LEU  11 -22.347  -2.118  -1.224
   85    HB2  LEU  11           HB2      LEU  11 -20.447  -0.995   0.843
   86    HB3  LEU  11           HB1      LEU  11 -22.192  -0.863   0.918
   87    HG   LEU  11           HG       LEU  11 -20.683  -3.480   0.963
   88   HD11  LEU  11          HD11      LEU  11 -21.916  -1.915   3.227
   89   HD12  LEU  11          HD12      LEU  11 -20.191  -2.157   2.951
   90   HD13  LEU  11          HD13      LEU  11 -21.222  -3.531   3.346
   91   HD21  LEU  11          HD21      LEU  11 -23.574  -2.817   1.522
   92   HD22  LEU  11          HD22      LEU  11 -22.826  -4.405   1.696
   93   HD23  LEU  11          HD23      LEU  11 -22.961  -3.663   0.101
   94    H    THR  12           HN       THR  12 -19.893   0.320  -0.463
   95    HA   THR  12           HA       THR  12 -20.242   1.794  -2.830
   96    HB   THR  12           HB       THR  12 -22.395   2.440  -1.894
   97    HG1  THR  12           HG1      THR  12 -20.801   4.034  -2.898
   98   HG21  THR  12          HG21      THR  12 -21.930   2.090   0.482
   99   HG22  THR  12          HG22      THR  12 -22.572   3.707   0.194
  100   HG23  THR  12          HG23      THR  12 -20.846   3.481   0.482
  101    H    ILE  13           HN       ILE  13 -18.296   2.640  -3.122
  102    HA   ILE  13           HA       ILE  13 -16.584   3.205  -0.850
  103    HB   ILE  13           HB       ILE  13 -16.022   3.729  -3.776
  104   HG12  ILE  13          HG12      ILE  13 -16.489   1.350  -3.424
  105   HG13  ILE  13          HG11      ILE  13 -14.780   1.604  -3.758
  106   HG21  ILE  13          HG21      ILE  13 -13.668   3.703  -3.080
  107   HG22  ILE  13          HG22      ILE  13 -14.173   3.490  -1.404
  108   HG23  ILE  13          HG23      ILE  13 -14.579   4.974  -2.266
  109   HD11  ILE  13          HD11      ILE  13 -14.295   1.404  -1.368
  110   HD12  ILE  13          HD12      ILE  13 -15.090  -0.036  -2.004
  111   HD13  ILE  13          HD13      ILE  13 -16.007   1.128  -1.050
  112    H    THR  14           HN       THR  14 -18.131   4.770  -0.027
  113    HA   THR  14           HA       THR  14 -18.419   7.251  -1.490
  114    HB   THR  14           HB       THR  14 -20.344   6.367  -0.265
  115    HG1  THR  14           HG1      THR  14 -20.468   8.544  -0.423
  116   HG21  THR  14          HG21      THR  14 -18.685   6.804   2.212
  117   HG22  THR  14          HG22      THR  14 -19.206   5.248   1.566
  118   HG23  THR  14          HG23      THR  14 -20.398   6.387   2.192
  119    H    ASP  15           HN       ASP  15 -18.383   9.148   0.426
  120    HA   ASP  15           HA       ASP  15 -15.733   9.963   0.438
  121    HB2  ASP  15           HB2      ASP  15 -17.450  11.593   0.736
  122    HB3  ASP  15           HB1      ASP  15 -18.038  10.802   2.196
  123    H    ALA  16           HN       ALA  16 -17.530   8.289   2.947
  124    HA   ALA  16           HA       ALA  16 -15.918   8.358   5.132
  125    HB1  ALA  16           HB1      ALA  16 -17.189   5.853   4.043
  126    HB2  ALA  16           HB2      ALA  16 -18.064   7.118   4.920
  127    HB3  ALA  16           HB3      ALA  16 -16.800   6.194   5.732
  128    H    ILE  17           HN       ILE  17 -15.710   5.794   2.710
  129    HA   ILE  17           HA       ILE  17 -13.342   4.670   3.788
  130    HB   ILE  17           HB       ILE  17 -14.762   4.324   1.177
  131   HG12  ILE  17          HG12      ILE  17 -14.977   1.938   2.379
  132   HG13  ILE  17          HG11      ILE  17 -14.751   2.939   3.815
  133   HG21  ILE  17          HG21      ILE  17 -12.392   2.755   2.194
  134   HG22  ILE  17          HG22      ILE  17 -12.422   3.819   0.787
  135   HG23  ILE  17          HG23      ILE  17 -13.363   2.327   0.784
  136   HD11  ILE  17          HD11      ILE  17 -16.904   3.339   1.744
  137   HD12  ILE  17          HD12      ILE  17 -16.703   4.236   3.247
  138   HD13  ILE  17          HD13      ILE  17 -17.111   2.524   3.294
  139    H    ARG  18           HN       ARG  18 -14.063   6.810   1.083
  140    HA   ARG  18           HA       ARG  18 -11.544   6.769  -0.061
  141    HB2  ARG  18           HB2      ARG  18 -13.517   9.066   0.016
  142    HB3  ARG  18           HB1      ARG  18 -12.125   8.976  -1.055
  143    HG2  ARG  18           HG2      ARG  18 -13.072   6.956  -2.082
  144    HG3  ARG  18           HG1      ARG  18 -14.485   7.106  -1.039
  145    HD2  ARG  18           HD2      ARG  18 -14.845   9.390  -2.026
  146    HD3  ARG  18           HD1      ARG  18 -13.572   9.010  -3.187
  147    HE   ARG  18           HE       ARG  18 -15.700   7.060  -3.053
  148   HH11  ARG  18          HH11      ARG  18 -14.555   9.984  -4.609
  149   HH12  ARG  18          HH12      ARG  18 -15.557   9.779  -6.009
  150   HH21  ARG  18          HH21      ARG  18 -17.008   6.789  -4.884
  151   HH22  ARG  18          HH22      ARG  18 -16.959   7.956  -6.166
  152    H    ASN  19           HN       ASN  19 -12.979   8.821   2.401
  153    HA   ASN  19           HA       ASN  19 -10.777  10.329   3.197
  154    HB2  ASN  19           HB2      ASN  19 -13.337  10.183   4.038
  155    HB3  ASN  19           HB1      ASN  19 -12.577   9.225   5.300
  156   HD21  ASN  19          HD21      ASN  19 -11.150  10.189   6.733
  157   HD22  ASN  19          HD22      ASN  19 -11.048  11.909   6.904
  158    H    TYR  20           HN       TYR  20 -11.988   7.266   4.533
  159    HA   TYR  20           HA       TYR  20 -10.085   6.632   6.387
  160    HB2  TYR  20           HB2      TYR  20 -12.208   5.309   5.536
  161    HB3  TYR  20           HB1      TYR  20 -11.042   4.490   4.508
  162    HD1  TYR  20           HD1      TYR  20 -12.792   4.105   7.400
  163    HD2  TYR  20           HD2      TYR  20  -8.784   3.837   6.002
  164    HE1  TYR  20           HE1      TYR  20 -12.256   2.566   9.243
  165    HE2  TYR  20           HE2      TYR  20  -8.238   2.301   7.839
  166    HH   TYR  20           HH       TYR  20 -10.622   0.841   9.797
  167    H    ILE  21           HN       ILE  21  -9.779   6.367   2.874
  168    HA   ILE  21           HA       ILE  21  -7.409   4.694   3.063
  169    HB   ILE  21           HB       ILE  21  -8.871   5.923   0.726
  170   HG12  ILE  21          HG12      ILE  21 -10.164   4.151   1.809
  171   HG13  ILE  21          HG11      ILE  21  -9.600   3.610   0.233
  172   HG21  ILE  21          HG21      ILE  21  -6.518   5.639   0.189
  173   HG22  ILE  21          HG22      ILE  21  -7.489   4.471  -0.706
  174   HG23  ILE  21          HG23      ILE  21  -6.578   3.955   0.711
  175   HD11  ILE  21          HD11      ILE  21  -8.413   2.875   2.901
  176   HD12  ILE  21          HD12      ILE  21  -7.797   2.359   1.330
  177   HD13  ILE  21          HD13      ILE  21  -9.397   1.841   1.864
  178    H    GLU  22           HN       GLU  22  -8.546   7.900   2.555
  179    HA   GLU  22           HA       GLU  22  -6.175   8.838   1.429
  180    HB2  GLU  22           HB2      GLU  22  -8.256  10.047   1.054
  181    HB3  GLU  22           HB1      GLU  22  -8.371  10.395   2.775
  182    HG2  GLU  22           HG2      GLU  22  -6.404  11.774   2.675
  183    HG3  GLU  22           HG1      GLU  22  -6.151  11.349   0.984
  184    H    GLU  23           HN       GLU  23  -7.462   8.545   4.599
  185    HA   GLU  23           HA       GLU  23  -5.416   9.970   5.978
  186    HB2  GLU  23           HB2      GLU  23  -7.159   7.791   7.116
  187    HB3  GLU  23           HB1      GLU  23  -6.451   9.165   7.958
  188    HG2  GLU  23           HG2      GLU  23  -7.879  10.674   6.648
  189    HG3  GLU  23           HG1      GLU  23  -8.625   9.263   5.868
  190    H    LYS  24           HN       LYS  24  -6.094   6.549   5.324
  191    HA   LYS  24           HA       LYS  24  -3.891   5.386   6.565
  192    HB2  LYS  24           HB2      LYS  24  -5.830   4.215   5.480
  193    HB3  LYS  24           HB1      LYS  24  -5.113   4.570   3.919
  194    HG2  LYS  24           HG2      LYS  24  -4.466   2.388   4.320
  195    HG3  LYS  24           HG1      LYS  24  -3.054   3.321   4.818
  196    HD2  LYS  24           HD2      LYS  24  -3.397   1.705   6.507
  197    HD3  LYS  24           HD1      LYS  24  -3.983   3.230   7.168
  198    HE2  LYS  24           HE2      LYS  24  -6.279   2.587   6.630
  199    HE3  LYS  24           HE1      LYS  24  -5.700   1.076   5.933
  200    HZ1  LYS  24           HZ1      LYS  24  -6.556   0.875   8.232
  201    HZ2  LYS  24           HZ2      LYS  24  -5.289   1.854   8.768
  202    HZ3  LYS  24           HZ3      LYS  24  -4.958   0.346   8.065
  203    H    ILE  25           HN       ILE  25  -4.128   5.939   3.072
  204    HA   ILE  25           HA       ILE  25  -1.385   5.608   2.556
  205    HB   ILE  25           HB       ILE  25  -3.321   7.145   0.821
  206   HG12  ILE  25          HG12      ILE  25  -4.308   4.972   1.422
  207   HG13  ILE  25          HG11      ILE  25  -3.855   5.019  -0.277
  208   HG21  ILE  25          HG21      ILE  25  -1.903   6.378  -1.014
  209   HG22  ILE  25          HG22      ILE  25  -0.860   5.539   0.134
  210   HG23  ILE  25          HG23      ILE  25  -0.970   7.299   0.165
  211   HD11  ILE  25          HD11      ILE  25  -2.366   3.648   1.944
  212   HD12  ILE  25          HD12      ILE  25  -1.805   3.765   0.277
  213   HD13  ILE  25          HD13      ILE  25  -3.287   2.886   0.650
  214    H    GLY  26           HN       GLY  26  -3.329   8.400   3.376
  215    HA2  GLY  26           HA2      GLY  26  -1.406  10.376   2.794
  216    HA3  GLY  26           HA1      GLY  26  -2.730  10.531   3.936
  217    H    LYS  27           HN       LYS  27  -1.845   8.292   5.672
  218    HA   LYS  27           HA       LYS  27   0.020   9.930   7.146
  219    HB2  LYS  27           HB2      LYS  27  -0.488   8.648   9.025
  220    HB3  LYS  27           HB1      LYS  27  -2.000   8.611   8.132
  221    HG2  LYS  27           HG2      LYS  27  -0.797   6.417   7.130
  222    HG3  LYS  27           HG1      LYS  27  -0.116   6.445   8.758
  223    HD2  LYS  27           HD2      LYS  27  -2.412   6.629   9.663
  224    HD3  LYS  27           HD1      LYS  27  -3.029   6.474   8.013
  225    HE2  LYS  27           HE2      LYS  27  -3.148   4.316   9.017
  226    HE3  LYS  27           HE1      LYS  27  -1.816   4.284   7.866
  227    HZ1  LYS  27           HZ1      LYS  27  -1.578   4.592  10.812
  228    HZ2  LYS  27           HZ2      LYS  27  -0.281   4.635   9.730
  229    HZ3  LYS  27           HZ3      LYS  27  -1.181   3.215   9.916
  230    H    LEU  28           HN       LEU  28  -0.188   7.058   5.240
  231    HA   LEU  28           HA       LEU  28   2.443   6.131   5.765
  232    HB2  LEU  28           HB2      LEU  28   0.823   5.791   3.256
  233    HB3  LEU  28           HB1      LEU  28   2.153   4.776   3.800
  234    HG   LEU  28           HG       LEU  28  -0.410   5.173   5.322
  235   HD11  LEU  28          HD11      LEU  28  -0.974   3.999   3.310
  236   HD12  LEU  28          HD12      LEU  28  -0.883   2.802   4.595
  237   HD13  LEU  28          HD13      LEU  28   0.438   2.960   3.439
  238   HD21  LEU  28          HD21      LEU  28   0.370   3.185   6.568
  239   HD22  LEU  28          HD22      LEU  28   1.452   4.566   6.730
  240   HD23  LEU  28          HD23      LEU  28   1.881   3.232   5.662
  241    H    GLU  29           HN       GLU  29   1.073   8.255   3.303
  242    HA   GLU  29           HA       GLU  29   3.405   8.785   1.848
  243    HB2  GLU  29           HB2      GLU  29   1.146   9.311   1.041
  244    HB3  GLU  29           HB1      GLU  29   0.978  10.541   2.284
  245    HG2  GLU  29           HG2      GLU  29   3.343  10.989   0.711
  246    HG3  GLU  29           HG1      GLU  29   1.918  10.872  -0.314
  247    H    ARG  30           HN       ARG  30   2.070  10.311   4.748
  248    HA   ARG  30           HA       ARG  30   3.869  12.470   4.744
  249    HB2  ARG  30           HB2      ARG  30   2.151  11.320   6.808
  250    HB3  ARG  30           HB1      ARG  30   3.232  12.628   7.209
  251    HG2  ARG  30           HG2      ARG  30   0.985  12.661   5.206
  252    HG3  ARG  30           HG1      ARG  30   1.039  13.496   6.758
  253    HD2  ARG  30           HD2      ARG  30   3.121  14.672   5.840
  254    HD3  ARG  30           HD1      ARG  30   2.612  14.066   4.265
  255    HE   ARG  30           HE       ARG  30   1.052  15.914   5.952
  256   HH11  ARG  30          HH11      ARG  30   1.787  14.534   2.809
  257   HH12  ARG  30          HH12      ARG  30   0.855  15.717   1.944
  258   HH21  ARG  30          HH21      ARG  30  -0.166  17.461   4.809
  259   HH22  ARG  30          HH22      ARG  30  -0.253  17.379   3.080
  260    H    TYR  31           HN       TYR  31   4.597   9.271   5.324
  261    HA   TYR  31           HA       TYR  31   6.706   9.748   7.222
  262    HB2  TYR  31           HB2      TYR  31   6.170   7.441   5.344
  263    HB3  TYR  31           HB1      TYR  31   7.548   7.496   6.436
  264    HD1  TYR  31           HD1      TYR  31   6.604   8.388   8.935
  265    HD2  TYR  31           HD2      TYR  31   4.575   5.959   6.093
  266    HE1  TYR  31           HE1      TYR  31   5.245   7.423  10.740
  267    HE2  TYR  31           HE2      TYR  31   3.206   4.991   7.890
  268    HH   TYR  31           HH       TYR  31   3.031   6.314  10.986
  269    H    PHE  32           HN       PHE  32   6.241  10.310   3.908
  270    HA   PHE  32           HA       PHE  32   9.127  10.365   3.377
  271    HB2  PHE  32           HB2      PHE  32   7.085  10.527   1.235
  272    HB3  PHE  32           HB1      PHE  32   8.671   9.798   1.219
  273    HD1  PHE  32           HD1      PHE  32   5.435   8.954   0.817
  274    HD2  PHE  32           HD2      PHE  32   8.785   7.804   3.171
  275    HE1  PHE  32           HE1      PHE  32   4.455   6.723   1.120
  276    HE2  PHE  32           HE2      PHE  32   7.815   5.571   3.467
  277    HZ   PHE  32           HZ       PHE  32   5.645   5.028   2.442
  278    H    ASN  33           HN       ASN  33   9.858  12.129   2.025
  279    HA   ASN  33           HA       ASN  33   7.879  14.251   1.743
  280    HB2  ASN  33           HB2      ASN  33   9.609  15.945   1.971
  281    HB3  ASN  33           HB1      ASN  33   9.688  14.867   3.360
  282   HD21  ASN  33          HD21      ASN  33  11.431  13.426   3.543
  283   HD22  ASN  33          HD22      ASN  33  12.884  13.636   2.627
  284    H    ASP  34           HN       ASP  34  10.035  12.169   0.194
  285    HA   ASP  34           HA       ASP  34  10.322  13.744  -2.120
  286    HB2  ASP  34           HB2      ASP  34  11.255  10.951  -1.592
  287    HB3  ASP  34           HB1      ASP  34  11.679  11.897  -3.009
  288    H    VAL  35           HN       VAL  35   7.694  12.829  -1.318
  289    HA   VAL  35           HA       VAL  35   7.037  11.062  -3.550
  290    HB   VAL  35           HB       VAL  35   6.825  10.044  -1.369
  291   HG11  VAL  35          HG11      VAL  35   5.170  10.736   0.251
  292   HG12  VAL  35          HG12      VAL  35   4.737  12.111  -0.759
  293   HG13  VAL  35          HG13      VAL  35   6.343  12.018  -0.038
  294   HG21  VAL  35          HG21      VAL  35   4.521   9.205  -1.586
  295   HG22  VAL  35          HG22      VAL  35   5.358   9.275  -3.136
  296   HG23  VAL  35          HG23      VAL  35   4.172  10.512  -2.718
  297    HA   PRO  36           HA       PRO  36   4.270  14.565  -4.574
  298    HB2  PRO  36           HB2      PRO  36   4.951  14.795  -7.156
  299    HB3  PRO  36           HB1      PRO  36   5.898  15.578  -5.886
  300    HG2  PRO  36           HG2      PRO  36   6.452  13.045  -7.372
  301    HG3  PRO  36           HG1      PRO  36   7.573  14.335  -6.906
  302    HD2  PRO  36           HD2      PRO  36   7.268  11.968  -5.528
  303    HD3  PRO  36           HD1      PRO  36   7.878  13.471  -4.812
  304    H    ASN  37           HN       ASN  37   4.981  11.385  -5.570
  305    HA   ASN  37           HA       ASN  37   2.341  11.091  -6.829
  306    HB2  ASN  37           HB2      ASN  37   5.011  10.145  -7.822
  307    HB3  ASN  37           HB1      ASN  37   3.563   9.224  -8.203
  308   HD21  ASN  37          HD21      ASN  37   3.800   9.624 -10.385
  309   HD22  ASN  37          HD22      ASN  37   3.428  11.162 -11.083
  310    H    ALA  38           HN       ALA  38   1.184   9.884  -5.480
  311    HA   ALA  38           HA       ALA  38   2.207   7.231  -4.813
  312    HB1  ALA  38           HB1      ALA  38   2.660   8.623  -2.819
  313    HB2  ALA  38           HB2      ALA  38   1.453   7.376  -2.500
  314    HB3  ALA  38           HB3      ALA  38   0.948   9.046  -2.749
  315    H    VAL  39           HN       VAL  39   0.699   5.830  -5.577
  316    HA   VAL  39           HA       VAL  39  -2.051   6.767  -5.843
  317    HB   VAL  39           HB       VAL  39  -0.193   5.120  -7.494
  318   HG11  VAL  39          HG11      VAL  39  -1.892   3.936  -8.600
  319   HG12  VAL  39          HG12      VAL  39  -3.159   4.811  -7.737
  320   HG13  VAL  39          HG13      VAL  39  -2.110   3.680  -6.861
  321   HG21  VAL  39          HG21      VAL  39  -1.113   6.341  -9.315
  322   HG22  VAL  39          HG22      VAL  39  -0.730   7.478  -8.021
  323   HG23  VAL  39          HG23      VAL  39  -2.403   6.987  -8.296
  324    H    ALA  40           HN       ALA  40  -3.708   5.237  -5.370
  325    HA   ALA  40           HA       ALA  40  -2.873   2.618  -4.254
  326    HB1  ALA  40           HB1      ALA  40  -3.566   4.070  -2.394
  327    HB2  ALA  40           HB2      ALA  40  -4.732   2.768  -2.644
  328    HB3  ALA  40           HB3      ALA  40  -5.096   4.399  -3.207
  329    H    HIS  41           HN       HIS  41  -3.266   1.735  -6.299
  330    HA   HIS  41           HA       HIS  41  -5.934   1.845  -7.432
  331    HB2  HIS  41           HB2      HIS  41  -3.846   1.601  -8.850
  332    HB3  HIS  41           HB1      HIS  41  -3.648  -0.005  -8.170
  333    HD1  HIS  41           HD1      HIS  41  -5.111   1.681 -10.987
  334    HD2  HIS  41           HD2      HIS  41  -6.026  -1.714  -8.766
  335    HE1  HIS  41           HE1      HIS  41  -6.655   0.319 -12.430
  336    HE2  HIS  41           HE2      HIS  41  -7.062  -1.798 -11.132
  337    H    VAL  42           HN       VAL  42  -7.320   0.964  -5.927
  338    HA   VAL  42           HA       VAL  42  -6.619  -1.708  -4.882
  339    HB   VAL  42           HB       VAL  42  -7.698   0.793  -3.697
  340   HG11  VAL  42          HG11      VAL  42  -8.778  -0.408  -1.890
  341   HG12  VAL  42          HG12      VAL  42  -8.464  -1.933  -2.721
  342   HG13  VAL  42          HG13      VAL  42  -9.543  -0.739  -3.444
  343   HG21  VAL  42          HG21      VAL  42  -6.361  -0.048  -1.795
  344   HG22  VAL  42          HG22      VAL  42  -5.417   0.109  -3.289
  345   HG23  VAL  42          HG23      VAL  42  -6.009  -1.486  -2.756
  346    H    LYS  43           HN       LYS  43  -8.364  -3.105  -4.658
  347    HA   LYS  43           HA       LYS  43 -10.894  -2.410  -5.944
  348    HB2  LYS  43           HB2      LYS  43  -9.576  -2.931  -7.898
  349    HB3  LYS  43           HB1      LYS  43  -8.971  -4.408  -7.170
  350    HG2  LYS  43           HG2      LYS  43 -10.915  -5.561  -7.559
  351    HG3  LYS  43           HG1      LYS  43 -11.907  -4.103  -7.562
  352    HD2  LYS  43           HD2      LYS  43 -11.727  -5.050  -9.806
  353    HD3  LYS  43           HD1      LYS  43 -10.975  -3.459  -9.725
  354    HE2  LYS  43           HE2      LYS  43  -9.498  -4.789 -10.982
  355    HE3  LYS  43           HE1      LYS  43  -8.775  -4.675  -9.379
  356    HZ1  LYS  43           HZ1      LYS  43  -9.631  -6.870  -8.868
  357    HZ2  LYS  43           HZ2      LYS  43  -8.681  -6.923 -10.262
  358    HZ3  LYS  43           HZ3      LYS  43 -10.365  -6.971 -10.388
  359    H    VAL  44           HN       VAL  44 -12.257  -3.066  -4.638
  360    HA   VAL  44           HA       VAL  44 -11.907  -5.615  -3.213
  361    HB   VAL  44           HB       VAL  44 -12.165  -3.378  -1.922
  362   HG11  VAL  44          HG11      VAL  44 -14.962  -3.823  -2.874
  363   HG12  VAL  44          HG12      VAL  44 -13.891  -2.492  -3.353
  364   HG13  VAL  44          HG13      VAL  44 -14.464  -2.614  -1.679
  365   HG21  VAL  44          HG21      VAL  44 -14.161  -5.570  -1.364
  366   HG22  VAL  44          HG22      VAL  44 -13.518  -4.412  -0.198
  367   HG23  VAL  44          HG23      VAL  44 -12.461  -5.625  -0.916
  368    H    LYS  45           HN       LYS  45 -13.869  -6.841  -2.950
  369    HA   LYS  45           HA       LYS  45 -16.178  -6.400  -4.579
  370    HB2  LYS  45           HB2      LYS  45 -14.110  -8.423  -5.424
  371    HB3  LYS  45           HB1      LYS  45 -15.800  -8.597  -5.863
  372    HG2  LYS  45           HG2      LYS  45 -15.711  -6.437  -7.017
  373    HG3  LYS  45           HG1      LYS  45 -14.003  -6.298  -6.596
  374    HD2  LYS  45           HD2      LYS  45 -13.547  -8.363  -7.843
  375    HD3  LYS  45           HD1      LYS  45 -15.252  -8.456  -8.290
  376    HE2  LYS  45           HE2      LYS  45 -15.066  -6.307  -9.440
  377    HE3  LYS  45           HE1      LYS  45 -13.363  -6.215  -8.995
  378    HZ1  LYS  45           HZ1      LYS  45 -12.988  -8.255 -10.261
  379    HZ2  LYS  45           HZ2      LYS  45 -13.592  -7.013 -11.236
  380    HZ3  LYS  45           HZ3      LYS  45 -14.610  -8.266 -10.737
  381    H    THR  46           HN       THR  46 -17.812  -7.246  -3.444
  382    HA   THR  46           HA       THR  46 -17.702  -9.961  -2.520
  383    HB   THR  46           HB       THR  46 -16.601  -8.901  -0.614
  384    HG1  THR  46           HG1      THR  46 -18.251  -9.567   0.989
  385   HG21  THR  46          HG21      THR  46 -17.469  -6.668  -0.707
  386   HG22  THR  46          HG22      THR  46 -17.923  -7.371   0.846
  387   HG23  THR  46          HG23      THR  46 -19.114  -7.245  -0.450
  388    H    TYR  47           HN       TYR  47 -19.732 -10.824  -2.220
  389    HA   TYR  47           HA       TYR  47 -21.955  -8.938  -1.902
  390    HB2  TYR  47           HB2      TYR  47 -23.355 -10.751  -3.127
  391    HB3  TYR  47           HB1      TYR  47 -22.369  -9.661  -4.093
  392    HD1  TYR  47           HD1      TYR  47 -20.335 -10.476  -5.197
  393    HD2  TYR  47           HD2      TYR  47 -22.853 -13.111  -3.006
  394    HE1  TYR  47           HE1      TYR  47 -19.248 -12.400  -6.273
  395    HE2  TYR  47           HE2      TYR  47 -21.770 -15.041  -4.072
  396    HH   TYR  47           HH       TYR  47 -18.879 -14.777  -5.837
  397    H    SER  48           HN       SER  48 -21.033  -9.493   0.251
  398    HA   SER  48           HA       SER  48 -22.762 -11.046   1.772
  399    HB2  SER  48           HB2      SER  48 -21.247 -12.898   2.453
  400    HB3  SER  48           HB1      SER  48 -21.670 -13.002   0.745
  401    HG   SER  48           HG       SER  48 -19.637 -11.980   0.290
  402    H    ASN  49           HN       ASN  49 -22.031 -11.064   4.086
  403    HA   ASN  49           HA       ASN  49 -20.054  -8.938   4.536
  404    HB2  ASN  49           HB2      ASN  49 -22.374  -8.747   5.545
  405    HB3  ASN  49           HB1      ASN  49 -21.952 -10.108   6.578
  406   HD21  ASN  49          HD21      ASN  49 -19.728  -7.559   5.594
  407   HD22  ASN  49          HD22      ASN  49 -19.517  -6.894   7.174
  408    H    SER  50           HN       SER  50 -19.616 -11.834   3.895
  409    HA   SER  50           HA       SER  50 -17.874 -12.442   6.168
  410    HB2  SER  50           HB2      SER  50 -18.979 -14.412   4.156
  411    HB3  SER  50           HB1      SER  50 -18.017 -14.804   5.580
  412    HG   SER  50           HG       SER  50 -19.731 -13.982   6.869
  413    H    ALA  51           HN       ALA  51 -17.736 -10.919   3.560
  414    HA   ALA  51           HA       ALA  51 -15.050 -11.745   2.832
  415    HB1  ALA  51           HB1      ALA  51 -16.103 -11.292   0.336
  416    HB2  ALA  51           HB2      ALA  51 -17.360 -12.266   1.127
  417    HB3  ALA  51           HB3      ALA  51 -15.708 -12.882   1.017
  418    H    THR  52           HN       THR  52 -13.845 -10.054   2.084
  419    HA   THR  52           HA       THR  52 -15.171  -8.301   0.437
  420    HB   THR  52           HB       THR  52 -13.212  -6.712   1.804
  421    HG1  THR  52           HG1      THR  52 -14.842  -8.299   3.219
  422   HG21  THR  52          HG21      THR  52 -16.208  -6.392   1.533
  423   HG22  THR  52          HG22      THR  52 -15.019  -5.810   0.371
  424   HG23  THR  52          HG23      THR  52 -15.070  -5.129   1.995
  425    H    LYS  53           HN       LYS  53 -14.166  -9.300  -1.302
  426    HA   LYS  53           HA       LYS  53 -11.434 -10.113  -1.115
  427    HB2  LYS  53           HB2      LYS  53 -13.060 -11.383  -2.462
  428    HB3  LYS  53           HB1      LYS  53 -13.275  -9.993  -3.514
  429    HG2  LYS  53           HG2      LYS  53 -10.922 -10.162  -4.199
  430    HG3  LYS  53           HG1      LYS  53 -10.739 -11.584  -3.171
  431    HD2  LYS  53           HD2      LYS  53 -11.090 -12.307  -5.437
  432    HD3  LYS  53           HD1      LYS  53 -12.524 -12.702  -4.488
  433    HE2  LYS  53           HE2      LYS  53 -13.623 -10.672  -5.355
  434    HE3  LYS  53           HE1      LYS  53 -12.201 -10.340  -6.340
  435    HZ1  LYS  53           HZ1      LYS  53 -13.944 -11.437  -7.610
  436    HZ2  LYS  53           HZ2      LYS  53 -13.911 -12.759  -6.554
  437    HZ3  LYS  53           HZ3      LYS  53 -12.566 -12.408  -7.514
  438    H    ILE  54           HN       ILE  54  -9.701  -8.988  -1.526
  439    HA   ILE  54           HA       ILE  54 -10.114  -6.357  -2.745
  440    HB   ILE  54           HB       ILE  54  -8.131  -5.710  -1.210
  441   HG12  ILE  54          HG12      ILE  54  -8.554  -6.924   1.063
  442   HG13  ILE  54          HG11      ILE  54  -9.144  -8.240   0.056
  443   HG21  ILE  54          HG21      ILE  54  -9.735  -4.980   0.424
  444   HG22  ILE  54          HG22      ILE  54 -10.892  -6.172  -0.182
  445   HG23  ILE  54          HG23      ILE  54 -10.363  -4.835  -1.223
  446   HD11  ILE  54          HD11      ILE  54  -6.983  -8.351  -1.067
  447   HD12  ILE  54          HD12      ILE  54  -6.818  -8.561   0.676
  448   HD13  ILE  54          HD13      ILE  54  -6.396  -7.021  -0.070
  449    H    GLU  55           HN       GLU  55  -8.414  -5.355  -3.686
  450    HA   GLU  55           HA       GLU  55  -5.985  -6.843  -4.232
  451    HB2  GLU  55           HB2      GLU  55  -7.955  -5.794  -6.241
  452    HB3  GLU  55           HB1      GLU  55  -6.256  -5.947  -6.592
  453    HG2  GLU  55           HG2      GLU  55  -6.329  -8.310  -6.353
  454    HG3  GLU  55           HG1      GLU  55  -7.965  -8.235  -5.696
  455    H    VAL  56           HN       VAL  56  -4.612  -5.400  -3.418
  456    HA   VAL  56           HA       VAL  56  -5.082  -2.534  -3.906
  457    HB   VAL  56           HB       VAL  56  -4.426  -2.330  -1.697
  458   HG11  VAL  56          HG11      VAL  56  -3.528  -4.177  -0.464
  459   HG12  VAL  56          HG12      VAL  56  -3.376  -5.077  -1.972
  460   HG13  VAL  56          HG13      VAL  56  -4.965  -4.602  -1.386
  461   HG21  VAL  56          HG21      VAL  56  -1.685  -3.373  -2.540
  462   HG22  VAL  56          HG22      VAL  56  -2.044  -2.218  -1.263
  463   HG23  VAL  56          HG23      VAL  56  -2.243  -1.756  -2.947
  464    H    THR  57           HN       THR  57  -3.692  -1.438  -5.002
  465    HA   THR  57           HA       THR  57  -0.979  -2.393  -5.229
  466    HB   THR  57           HB       THR  57  -2.422  -1.532  -7.755
  467    HG1  THR  57           HG1      THR  57  -2.272  -3.997  -6.571
  468   HG21  THR  57          HG21      THR  57   0.331  -2.683  -7.321
  469   HG22  THR  57          HG22      THR  57  -0.047  -1.015  -7.748
  470   HG23  THR  57          HG23      THR  57  -0.387  -2.315  -8.889
  471    H    ILE  58           HN       ILE  58  -0.022  -0.778  -4.375
  472    HA   ILE  58           HA       ILE  58  -1.009   1.994  -4.771
  473    HB   ILE  58           HB       ILE  58   0.110   0.422  -2.477
  474   HG12  ILE  58          HG12      ILE  58  -1.463   1.869  -1.177
  475   HG13  ILE  58          HG11      ILE  58  -1.923   2.650  -2.680
  476   HG21  ILE  58          HG21      ILE  58   0.560   3.406  -2.699
  477   HG22  ILE  58          HG22      ILE  58   1.806   2.161  -2.637
  478   HG23  ILE  58          HG23      ILE  58   0.781   2.451  -1.234
  479   HD11  ILE  58          HD11      ILE  58  -2.653   0.413  -3.509
  480   HD12  ILE  58          HD12      ILE  58  -3.576   1.049  -2.148
  481   HD13  ILE  58          HD13      ILE  58  -2.365  -0.203  -1.882
  482    HA   PRO  59           HA       PRO  59   3.208   2.085  -6.763
  483    HB2  PRO  59           HB2      PRO  59   1.800   3.844  -8.664
  484    HB3  PRO  59           HB1      PRO  59   2.736   2.371  -8.977
  485    HG2  PRO  59           HG2      PRO  59   0.079   2.416  -9.262
  486    HG3  PRO  59           HG1      PRO  59   0.909   0.986  -8.610
  487    HD2  PRO  59           HD2      PRO  59  -0.452   3.206  -7.117
  488    HD3  PRO  59           HD1      PRO  59  -0.664   1.453  -6.924
  489    H    LEU  60           HN       LEU  60   4.236   3.442  -5.319
  490    HA   LEU  60           HA       LEU  60   3.786   6.320  -5.572
  491    HB2  LEU  60           HB2      LEU  60   5.542   4.556  -3.887
  492    HB3  LEU  60           HB1      LEU  60   5.953   6.236  -4.104
  493    HG   LEU  60           HG       LEU  60   3.733   6.849  -3.146
  494   HD11  LEU  60          HD11      LEU  60   2.475   5.167  -1.930
  495   HD12  LEU  60          HD12      LEU  60   3.585   3.916  -2.487
  496   HD13  LEU  60          HD13      LEU  60   2.561   4.763  -3.645
  497   HD21  LEU  60          HD21      LEU  60   4.354   6.329  -0.838
  498   HD22  LEU  60          HD22      LEU  60   5.738   6.874  -1.784
  499   HD23  LEU  60          HD23      LEU  60   5.536   5.159  -1.425
  500    H    LYS  61           HN       LYS  61   6.110   7.525  -5.949
  501    HA   LYS  61           HA       LYS  61   7.321   6.682  -8.353
  502    HB2  LYS  61           HB2      LYS  61   8.781   8.011  -6.084
  503    HB3  LYS  61           HB1      LYS  61   9.195   8.062  -7.791
  504    HG2  LYS  61           HG2      LYS  61   7.167   9.381  -8.247
  505    HG3  LYS  61           HG1      LYS  61   6.829   9.412  -6.514
  506    HD2  LYS  61           HD2      LYS  61   7.962  11.461  -7.318
  507    HD3  LYS  61           HD1      LYS  61   8.883  10.600  -6.087
  508    HE2  LYS  61           HE2      LYS  61  10.327  11.393  -7.885
  509    HE3  LYS  61           HE1      LYS  61  10.307   9.634  -7.819
  510    HZ1  LYS  61           HZ1      LYS  61   8.758   9.616  -9.669
  511    HZ2  LYS  61           HZ2      LYS  61  10.159  10.463 -10.086
  512    HZ3  LYS  61           HZ3      LYS  61   8.745  11.308  -9.711
  513    H    ASN  62           HN       ASN  62   8.080   6.275  -4.981
  514    HA   ASN  62           HA       ASN  62  10.570   5.198  -5.399
  515    HB2  ASN  62           HB2      ASN  62   8.850   5.591  -3.105
  516    HB3  ASN  62           HB1      ASN  62  10.118   4.403  -2.899
  517   HD21  ASN  62          HD21      ASN  62  11.973   5.756  -4.663
  518   HD22  ASN  62          HD22      ASN  62  12.518   7.160  -3.814
  519    H    VAL  63           HN       VAL  63   7.689   3.612  -4.084
  520    HA   VAL  63           HA       VAL  63   8.464   1.142  -5.422
  521    HB   VAL  63           HB       VAL  63   9.306   1.104  -3.104
  522   HG11  VAL  63          HG11      VAL  63   7.743   0.875  -1.235
  523   HG12  VAL  63          HG12      VAL  63   6.403   1.211  -2.332
  524   HG13  VAL  63          HG13      VAL  63   7.617   2.451  -2.019
  525   HG21  VAL  63          HG21      VAL  63   8.817  -0.985  -4.219
  526   HG22  VAL  63          HG22      VAL  63   7.132  -0.887  -3.705
  527   HG23  VAL  63          HG23      VAL  63   8.408  -1.107  -2.507
  528    H    THR  64           HN       THR  64   6.798  -0.283  -5.805
  529    HA   THR  64           HA       THR  64   4.059   0.779  -5.486
  530    HB   THR  64           HB       THR  64   5.167  -1.041  -7.642
  531    HG1  THR  64           HG1      THR  64   5.622   1.312  -7.719
  532   HG21  THR  64          HG21      THR  64   2.379   0.050  -7.257
  533   HG22  THR  64          HG22      THR  64   2.868  -1.638  -7.125
  534   HG23  THR  64          HG23      THR  64   2.945  -0.817  -8.684
  535    H    LEU  65           HN       LEU  65   2.964  -0.378  -3.935
  536    HA   LEU  65           HA       LEU  65   3.682  -3.206  -3.598
  537    HB2  LEU  65           HB2      LEU  65   2.039  -1.379  -1.843
  538    HB3  LEU  65           HB1      LEU  65   2.048  -3.116  -1.661
  539    HG   LEU  65           HG       LEU  65   4.680  -2.808  -1.577
  540   HD11  LEU  65          HD11      LEU  65   4.796  -0.430  -1.898
  541   HD12  LEU  65          HD12      LEU  65   5.314  -0.813  -0.248
  542   HD13  LEU  65          HD13      LEU  65   3.698  -0.155  -0.548
  543   HD21  LEU  65          HD21      LEU  65   2.877  -2.274   0.762
  544   HD22  LEU  65          HD22      LEU  65   4.542  -2.854   0.834
  545   HD23  LEU  65          HD23      LEU  65   3.288  -3.858   0.108
  546    H    ARG  66           HN       ARG  66   2.036  -4.788  -3.404
  547    HA   ARG  66           HA       ARG  66  -0.653  -4.018  -4.086
  548    HB2  ARG  66           HB2      ARG  66  -0.890  -5.455  -5.910
  549    HB3  ARG  66           HB1      ARG  66   0.564  -4.535  -6.155
  550    HG2  ARG  66           HG2      ARG  66   1.633  -6.431  -6.555
  551    HG3  ARG  66           HG1      ARG  66   1.389  -6.849  -4.852
  552    HD2  ARG  66           HD2      ARG  66   0.460  -8.629  -6.122
  553    HD3  ARG  66           HD1      ARG  66  -0.883  -7.663  -5.492
  554    HE   ARG  66           HE       ARG  66  -0.653  -6.549  -7.846
  555   HH11  ARG  66          HH11      ARG  66  -0.369  -9.951  -7.093
  556   HH12  ARG  66          HH12      ARG  66  -1.015 -10.469  -8.614
  557   HH21  ARG  66          HH21      ARG  66  -1.497  -7.226  -9.844
  558   HH22  ARG  66          HH22      ARG  66  -1.664  -8.919 -10.181
  559    H    ALA  67           HN       ALA  67  -2.163  -5.458  -3.500
  560    HA   ALA  67           HA       ALA  67  -1.376  -8.039  -2.344
  561    HB1  ALA  67           HB1      ALA  67  -1.168  -6.438  -0.430
  562    HB2  ALA  67           HB2      ALA  67  -2.308  -7.748  -0.154
  563    HB3  ALA  67           HB3      ALA  67  -2.900  -6.137  -0.544
  564    H    GLU  68           HN       GLU  68  -2.711  -9.485  -3.153
  565    HA   GLU  68           HA       GLU  68  -5.520  -8.701  -3.623
  566    HB2  GLU  68           HB2      GLU  68  -5.436 -10.449  -5.478
  567    HB3  GLU  68           HB1      GLU  68  -4.557  -8.955  -5.767
  568    HG2  GLU  68           HG2      GLU  68  -2.481  -9.976  -5.481
  569    HG3  GLU  68           HG1      GLU  68  -3.179 -11.372  -4.664
  570    H    GLU  69           HN       GLU  69  -6.838  -9.748  -2.245
  571    HA   GLU  69           HA       GLU  69  -6.511 -12.600  -1.765
  572    HB2  GLU  69           HB2      GLU  69  -6.275 -10.570   0.453
  573    HB3  GLU  69           HB1      GLU  69  -6.700 -12.248   0.743
  574    HG2  GLU  69           HG2      GLU  69  -4.554 -12.914  -0.297
  575    HG3  GLU  69           HG1      GLU  69  -4.133 -11.206  -0.422
  576    H    ARG  70           HN       ARG  70  -8.343 -13.569  -0.714
  577    HA   ARG  70           HA       ARG  70 -10.777 -11.935  -0.869
  578    HB2  ARG  70           HB2      ARG  70 -10.668 -14.137  -2.103
  579    HB3  ARG  70           HB1      ARG  70 -10.589 -14.935  -0.538
  580    HG2  ARG  70           HG2      ARG  70 -12.767 -13.809   0.025
  581    HG3  ARG  70           HG1      ARG  70 -12.853 -13.308  -1.664
  582    HD2  ARG  70           HD2      ARG  70 -12.776 -16.126  -0.604
  583    HD3  ARG  70           HD1      ARG  70 -14.138 -15.315  -1.373
  584    HE   ARG  70           HE       ARG  70 -11.914 -15.332  -3.113
  585   HH11  ARG  70          HH11      ARG  70 -14.382 -17.432  -1.797
  586   HH12  ARG  70          HH12      ARG  70 -14.316 -18.547  -3.125
  587   HH21  ARG  70          HH21      ARG  70 -11.815 -16.787  -4.850
  588   HH22  ARG  70          HH22      ARG  70 -12.852 -18.180  -4.865
  589    H    ASN  71           HN       ASN  71  -9.942 -10.902   1.127
  590    HA   ASN  71           HA       ASN  71  -9.972 -12.523   3.539
  591    HB2  ASN  71           HB2      ASN  71  -8.265 -10.702   3.117
  592    HB3  ASN  71           HB1      ASN  71  -9.557  -9.532   3.277
  593   HD21  ASN  71          HD21      ASN  71  -7.090 -10.074   4.576
  594   HD22  ASN  71          HD22      ASN  71  -7.471 -10.215   6.220
  595    H    ASP  72           HN       ASP  72 -11.473 -12.341   5.173
  596    HA   ASP  72           HA       ASP  72 -14.135 -11.722   4.628
  597    HB2  ASP  72           HB2      ASP  72 -13.268 -13.155   6.507
  598    HB3  ASP  72           HB1      ASP  72 -12.799 -11.684   7.347
  599    H    ASP  73           HN       ASP  73 -11.549  -9.813   6.010
  600    HA   ASP  73           HA       ASP  73 -13.227  -7.371   5.847
  601    HB2  ASP  73           HB2      ASP  73 -11.058  -8.196   7.752
  602    HB3  ASP  73           HB1      ASP  73 -11.257  -6.498   7.360
  603    H    LEU  74           HN       LEU  74 -12.958  -6.573   4.099
  604    HA   LEU  74           HA       LEU  74 -11.042  -5.887   2.459
  605    HB2  LEU  74           HB2      LEU  74 -13.165  -4.820   2.422
  606    HB3  LEU  74           HB1      LEU  74 -12.951  -4.334   4.104
  607    HG   LEU  74           HG       LEU  74 -11.494  -2.547   3.499
  608   HD11  LEU  74          HD11      LEU  74 -11.571  -3.686   0.723
  609   HD12  LEU  74          HD12      LEU  74 -10.179  -3.540   1.800
  610   HD13  LEU  74          HD13      LEU  74 -10.930  -2.091   1.127
  611   HD21  LEU  74          HD21      LEU  74 -12.938  -1.191   2.062
  612   HD22  LEU  74          HD22      LEU  74 -13.868  -2.087   3.263
  613   HD23  LEU  74          HD23      LEU  74 -13.823  -2.641   1.589
  614    H    TYR  75           HN       TYR  75 -11.463  -4.597   5.682
  615    HA   TYR  75           HA       TYR  75  -9.458  -2.693   5.290
  616    HB2  TYR  75           HB2      TYR  75 -11.072  -3.472   7.714
  617    HB3  TYR  75           HB1      TYR  75  -9.806  -2.250   7.781
  618    HD1  TYR  75           HD1      TYR  75 -12.950  -2.526   7.922
  619    HD2  TYR  75           HD2      TYR  75 -10.035  -0.921   5.361
  620    HE1  TYR  75           HE1      TYR  75 -14.521  -0.941   7.153
  621    HE2  TYR  75           HE2      TYR  75 -11.585   0.681   4.566
  622    HH   TYR  75           HH       TYR  75 -14.496   1.416   6.072
  623    H    ALA  76           HN       ALA  76  -9.599  -5.917   6.235
  624    HA   ALA  76           HA       ALA  76  -7.143  -6.027   7.756
  625    HB1  ALA  76           HB1      ALA  76  -8.795  -8.263   6.607
  626    HB2  ALA  76           HB2      ALA  76  -9.108  -7.518   8.179
  627    HB3  ALA  76           HB3      ALA  76  -7.592  -8.381   7.897
  628    H    GLY  77           HN       GLY  77  -8.401  -6.581   4.534
  629    HA2  GLY  77           HA2      GLY  77  -6.041  -7.848   3.523
  630    HA3  GLY  77           HA1      GLY  77  -7.358  -7.130   2.605
  631    H    ILE  78           HN       ILE  78  -7.373  -4.575   3.265
  632    HA   ILE  78           HA       ILE  78  -5.146  -3.461   2.064
  633    HB   ILE  78           HB       ILE  78  -7.663  -2.495   3.231
  634   HG12  ILE  78          HG12      ILE  78  -7.610  -1.046   1.242
  635   HG13  ILE  78          HG11      ILE  78  -5.956  -1.552   0.920
  636   HG21  ILE  78          HG21      ILE  78  -5.303  -0.620   3.219
  637   HG22  ILE  78          HG22      ILE  78  -6.204  -1.160   4.636
  638   HG23  ILE  78          HG23      ILE  78  -6.990  -0.146   3.426
  639   HD11  ILE  78          HD11      ILE  78  -7.515  -2.707  -0.522
  640   HD12  ILE  78          HD12      ILE  78  -8.385  -3.321   0.882
  641   HD13  ILE  78          HD13      ILE  78  -6.730  -3.843   0.575
  642    H    ASP  79           HN       ASP  79  -5.918  -4.042   5.537
  643    HA   ASP  79           HA       ASP  79  -3.479  -2.702   6.467
  644    HB2  ASP  79           HB2      ASP  79  -5.560  -4.377   7.801
  645    HB3  ASP  79           HB1      ASP  79  -3.996  -4.135   8.575
  646    H    LEU  80           HN       LEU  80  -4.253  -5.927   5.373
  647    HA   LEU  80           HA       LEU  80  -1.765  -6.989   6.127
  648    HB2  LEU  80           HB2      LEU  80  -3.746  -8.185   4.973
  649    HB3  LEU  80           HB1      LEU  80  -3.112  -7.538   3.476
  650    HG   LEU  80           HG       LEU  80  -2.484  -9.898   3.865
  651   HD11  LEU  80          HD11      LEU  80  -1.064  -8.514   2.457
  652   HD12  LEU  80          HD12      LEU  80  -0.110  -9.689   3.361
  653   HD13  LEU  80          HD13      LEU  80  -0.144  -8.001   3.871
  654   HD21  LEU  80          HD21      LEU  80  -0.878 -10.478   5.582
  655   HD22  LEU  80          HD22      LEU  80  -2.333  -9.795   6.308
  656   HD23  LEU  80          HD23      LEU  80  -0.873  -8.817   6.169
  657    H    ILE  81           HN       ILE  81  -2.793  -5.392   3.100
  658    HA   ILE  81           HA       ILE  81  -0.178  -5.040   2.170
  659    HB   ILE  81           HB       ILE  81  -2.479  -4.768   0.952
  660   HG12  ILE  81          HG12      ILE  81  -0.033  -4.703   0.133
  661   HG13  ILE  81          HG11      ILE  81  -1.252  -3.958  -0.884
  662   HG21  ILE  81          HG21      ILE  81  -1.816  -1.893   1.558
  663   HG22  ILE  81          HG22      ILE  81  -3.203  -2.778   2.188
  664   HG23  ILE  81          HG23      ILE  81  -3.067  -2.471   0.458
  665   HD11  ILE  81          HD11      ILE  81   0.802  -2.640   0.845
  666   HD12  ILE  81          HD12      ILE  81  -0.615  -1.770   0.265
  667   HD13  ILE  81          HD13      ILE  81   0.527  -2.454  -0.886
  668    H    ASN  82           HN       ASN  82  -2.169  -2.773   4.071
  669    HA   ASN  82           HA       ASN  82  -0.485  -0.534   3.884
  670    HB2  ASN  82           HB2      ASN  82  -2.674  -0.175   4.708
  671    HB3  ASN  82           HB1      ASN  82  -2.514  -1.443   5.895
  672   HD21  ASN  82          HD21      ASN  82  -2.889  -0.439   7.737
  673   HD22  ASN  82          HD22      ASN  82  -1.980   0.917   8.325
  674    H    ASN  83           HN       ASN  83  -0.623  -3.176   6.164
  675    HA   ASN  83           HA       ASN  83   1.315  -2.020   7.930
  676    HB2  ASN  83           HB2      ASN  83   0.279  -3.467   9.300
  677    HB3  ASN  83           HB1      ASN  83  -0.753  -3.903   7.905
  678   HD21  ASN  83          HD21      ASN  83  -1.034  -5.999   8.212
  679   HD22  ASN  83          HD22      ASN  83   0.206  -7.197   8.355
  680    H    LYS  84           HN       LYS  84   1.193  -4.583   5.509
  681    HA   LYS  84           HA       LYS  84   3.991  -5.182   5.589
  682    HB2  LYS  84           HB2      LYS  84   2.268  -6.698   4.642
  683    HB3  LYS  84           HB1      LYS  84   2.020  -5.563   3.327
  684    HG2  LYS  84           HG2      LYS  84   4.207  -5.962   2.469
  685    HG3  LYS  84           HG1      LYS  84   4.648  -6.912   3.891
  686    HD2  LYS  84           HD2      LYS  84   3.008  -8.600   3.309
  687    HD3  LYS  84           HD1      LYS  84   2.465  -7.634   1.937
  688    HE2  LYS  84           HE2      LYS  84   5.261  -8.709   2.264
  689    HE3  LYS  84           HE1      LYS  84   3.994  -9.500   1.328
  690    HZ1  LYS  84           HZ1      LYS  84   5.075  -6.785   0.813
  691    HZ2  LYS  84           HZ2      LYS  84   3.872  -7.554  -0.090
  692    HZ3  LYS  84           HZ3      LYS  84   5.443  -8.176  -0.074
  693    H    LEU  85           HN       LEU  85   2.103  -2.677   4.219
  694    HA   LEU  85           HA       LEU  85   4.005  -1.717   2.322
  695    HB2  LEU  85           HB2      LEU  85   1.589  -1.181   2.173
  696    HB3  LEU  85           HB1      LEU  85   1.709  -0.276   3.664
  697    HG   LEU  85           HG       LEU  85   3.393   0.528   1.319
  698   HD11  LEU  85          HD11      LEU  85   1.576   2.000   0.576
  699   HD12  LEU  85          HD12      LEU  85   0.495   1.243   1.747
  700   HD13  LEU  85          HD13      LEU  85   1.151   0.296   0.411
  701   HD21  LEU  85          HD21      LEU  85   3.829   1.646   3.412
  702   HD22  LEU  85          HD22      LEU  85   2.116   1.999   3.621
  703   HD23  LEU  85          HD23      LEU  85   3.021   2.770   2.318
  704    H    GLU  86           HN       GLU  86   2.963  -0.634   5.543
  705    HA   GLU  86           HA       GLU  86   4.887   1.239   6.058
  706    HB2  GLU  86           HB2      GLU  86   3.060   0.522   7.596
  707    HB3  GLU  86           HB1      GLU  86   3.970  -0.938   7.950
  708    HG2  GLU  86           HG2      GLU  86   5.802   0.461   8.836
  709    HG3  GLU  86           HG1      GLU  86   4.794   1.885   8.576
  710    H    ARG  87           HN       ARG  87   5.098  -2.293   6.454
  711    HA   ARG  87           HA       ARG  87   7.800  -2.362   7.176
  712    HB2  ARG  87           HB2      ARG  87   5.878  -4.290   6.208
  713    HB3  ARG  87           HB1      ARG  87   7.558  -4.754   6.067
  714    HG2  ARG  87           HG2      ARG  87   7.841  -4.331   8.469
  715    HG3  ARG  87           HG1      ARG  87   6.131  -3.920   8.586
  716    HD2  ARG  87           HD2      ARG  87   7.143  -6.572   7.595
  717    HD3  ARG  87           HD1      ARG  87   6.735  -6.259   9.278
  718    HE   ARG  87           HE       ARG  87   4.451  -5.623   8.262
  719   HH11  ARG  87          HH11      ARG  87   6.562  -8.143   7.053
  720   HH12  ARG  87          HH12      ARG  87   5.259  -9.145   6.495
  721   HH21  ARG  87          HH21      ARG  87   2.736  -6.932   7.543
  722   HH22  ARG  87          HH22      ARG  87   3.074  -8.450   6.764
  723    H    GLN  88           HN       GLN  88   6.369  -2.420   3.912
  724    HA   GLN  88           HA       GLN  88   8.902  -3.288   2.744
  725    HB2  GLN  88           HB2      GLN  88   6.227  -3.532   1.977
  726    HB3  GLN  88           HB1      GLN  88   6.866  -2.313   0.892
  727    HG2  GLN  88           HG2      GLN  88   8.009  -5.069   1.288
  728    HG3  GLN  88           HG1      GLN  88   7.010  -4.550  -0.067
  729   HE21  GLN  88          HE21      GLN  88   7.884  -3.195  -1.628
  730   HE22  GLN  88          HE22      GLN  88   9.588  -2.938  -1.775
  731    H    VAL  89           HN       VAL  89   6.809  -0.587   2.955
  732    HA   VAL  89           HA       VAL  89   8.112   1.128   1.219
  733    HB   VAL  89           HB       VAL  89   5.800   1.105   2.758
  734   HG11  VAL  89          HG11      VAL  89   6.888   2.319   4.548
  735   HG12  VAL  89          HG12      VAL  89   5.723   3.370   3.741
  736   HG13  VAL  89          HG13      VAL  89   7.448   3.552   3.419
  737   HG21  VAL  89          HG21      VAL  89   5.952   1.786   0.434
  738   HG22  VAL  89          HG22      VAL  89   6.858   3.231   0.887
  739   HG23  VAL  89          HG23      VAL  89   5.176   3.053   1.385
  740    H    ARG  90           HN       ARG  90   8.333   0.626   4.699
  741    HA   ARG  90           HA       ARG  90  10.370   2.654   4.963
  742    HB2  ARG  90           HB2      ARG  90  10.599   2.113   7.233
  743    HB3  ARG  90           HB1      ARG  90   8.879   1.964   6.885
  744    HG2  ARG  90           HG2      ARG  90   9.207  -0.500   6.709
  745    HG3  ARG  90           HG1      ARG  90  10.876  -0.265   7.232
  746    HD2  ARG  90           HD2      ARG  90   8.372   0.401   8.777
  747    HD3  ARG  90           HD1      ARG  90   9.532  -0.875   9.138
  748    HE   ARG  90           HE       ARG  90  11.029   1.400   9.193
  749   HH11  ARG  90          HH11      ARG  90   8.127   0.329  10.833
  750   HH12  ARG  90          HH12      ARG  90   8.387   1.335  12.222
  751   HH21  ARG  90          HH21      ARG  90  11.394   2.701  11.027
  752   HH22  ARG  90          HH22      ARG  90  10.263   2.671  12.346
  753    H    LYS  91           HN       LYS  91  10.328  -0.803   4.392
  754    HA   LYS  91           HA       LYS  91  13.015  -1.426   4.835
  755    HB2  LYS  91           HB2      LYS  91  10.996  -2.864   3.896
  756    HB3  LYS  91           HB1      LYS  91  11.610  -2.343   2.347
  757    HG2  LYS  91           HG2      LYS  91  13.787  -3.327   2.866
  758    HG3  LYS  91           HG1      LYS  91  13.151  -3.895   4.413
  759    HD2  LYS  91           HD2      LYS  91  11.467  -5.217   3.228
  760    HD3  LYS  91           HD1      LYS  91  12.109  -4.657   1.686
  761    HE2  LYS  91           HE2      LYS  91  14.252  -5.718   2.196
  762    HE3  LYS  91           HE1      LYS  91  13.608  -6.277   3.739
  763    HZ1  LYS  91           HZ1      LYS  91  11.961  -7.578   2.536
  764    HZ2  LYS  91           HZ2      LYS  91  13.525  -8.018   2.071
  765    HZ3  LYS  91           HZ3      LYS  91  12.587  -7.045   1.058
  766    H    TYR  92           HN       TYR  92  11.346  -0.242   2.033
  767    HA   TYR  92           HA       TYR  92  13.629  -0.043   0.369
  768    HB2  TYR  92           HB2      TYR  92  11.237  -0.389  -0.320
  769    HB3  TYR  92           HB1      TYR  92  10.956   1.313   0.036
  770    HD1  TYR  92           HD1      TYR  92  12.805  -0.997  -2.173
  771    HD2  TYR  92           HD2      TYR  92  11.621   3.028  -1.478
  772    HE1  TYR  92           HE1      TYR  92  13.563  -0.389  -4.430
  773    HE2  TYR  92           HE2      TYR  92  12.376   3.645  -3.735
  774    HH   TYR  92           HH       TYR  92  13.202   1.298  -6.102
  775    H    LYS  93           HN       LYS  93  11.582   2.489   1.879
  776    HA   LYS  93           HA       LYS  93  13.186   4.582   0.865
  777    HB2  LYS  93           HB2      LYS  93  11.776   6.070   1.960
  778    HB3  LYS  93           HB1      LYS  93  10.740   4.692   1.658
  779    HG2  LYS  93           HG2      LYS  93  10.156   5.106   3.807
  780    HG3  LYS  93           HG1      LYS  93  11.528   4.040   4.107
  781    HD2  LYS  93           HD2      LYS  93  11.715   5.951   5.550
  782    HD3  LYS  93           HD1      LYS  93  12.976   6.048   4.323
  783    HE2  LYS  93           HE2      LYS  93  11.466   7.583   3.030
  784    HE3  LYS  93           HE1      LYS  93  10.390   7.591   4.424
  785    HZ1  LYS  93           HZ1      LYS  93  13.228   8.466   4.437
  786    HZ2  LYS  93           HZ2      LYS  93  12.167   8.508   5.759
  787    HZ3  LYS  93           HZ3      LYS  93  11.884   9.494   4.416
  788    H    THR  94           HN       THR  94  13.176   2.876   3.973
  789    HA   THR  94           HA       THR  94  15.089   4.614   5.158
  790    HB   THR  94           HB       THR  94  14.130   1.851   5.915
  791    HG1  THR  94           HG1      THR  94  12.804   3.810   6.186
  792   HG21  THR  94          HG21      THR  94  16.070   3.609   7.434
  793   HG22  THR  94          HG22      THR  94  16.453   2.062   6.677
  794   HG23  THR  94          HG23      THR  94  15.334   2.124   8.039
  795    H    ARG  95           HN       ARG  95  15.309   1.532   3.393
  796    HA   ARG  95           HA       ARG  95  18.097   1.200   3.733
  797    HB2  ARG  95           HB2      ARG  95  16.599  -0.591   2.961
  798    HB3  ARG  95           HB1      ARG  95  16.345   0.274   1.454
  799    HG2  ARG  95           HG2      ARG  95  18.722   0.032   0.921
  800    HG3  ARG  95           HG1      ARG  95  18.960  -0.857   2.428
  801    HD2  ARG  95           HD2      ARG  95  18.729  -2.387   0.553
  802    HD3  ARG  95           HD1      ARG  95  17.378  -2.558   1.671
  803    HE   ARG  95           HE       ARG  95  17.167  -0.978  -0.810
  804   HH11  ARG  95          HH11      ARG  95  15.917  -3.410   1.386
  805   HH12  ARG  95          HH12      ARG  95  14.486  -3.688   0.447
  806   HH21  ARG  95          HH21      ARG  95  15.280  -1.336  -2.023
  807   HH22  ARG  95          HH22      ARG  95  14.114  -2.503  -1.485
  808    H    ILE  96           HN       ILE  96  16.198   2.868   1.212
  809    HA   ILE  96           HA       ILE  96  18.519   3.461  -0.349
  810    HB   ILE  96           HB       ILE  96  16.175   3.335  -1.272
  811   HG12  ILE  96          HG12      ILE  96  16.525   5.226  -2.879
  812   HG13  ILE  96          HG11      ILE  96  17.846   5.786  -1.858
  813   HG21  ILE  96          HG21      ILE  96  14.768   5.302  -1.196
  814   HG22  ILE  96          HG22      ILE  96  15.936   6.125  -0.163
  815   HG23  ILE  96          HG23      ILE  96  15.075   4.710   0.437
  816   HD11  ILE  96          HD11      ILE  96  19.059   3.728  -2.267
  817   HD12  ILE  96          HD12      ILE  96  18.634   4.510  -3.788
  818   HD13  ILE  96          HD13      ILE  96  17.718   3.110  -3.229
  819    H    ASN  97           HN       ASN  97  16.701   5.251   2.118
  820    HA   ASN  97           HA       ASN  97  18.183   7.667   1.839
  821    HB2  ASN  97           HB2      ASN  97  16.639   6.574   4.201
  822    HB3  ASN  97           HB1      ASN  97  17.345   8.183   4.146
  823   HD21  ASN  97          HD21      ASN  97  16.677   8.449   1.263
  824   HD22  ASN  97          HD22      ASN  97  14.981   8.769   1.225
  825    H    ARG  98           HN       ARG  98  18.632   4.699   3.596
  826    HA   ARG  98           HA       ARG  98  20.680   5.439   5.340
  827    HB2  ARG  98           HB2      ARG  98  19.440   3.301   5.413
  828    HB3  ARG  98           HB1      ARG  98  20.266   2.787   3.951
  829    HG2  ARG  98           HG2      ARG  98  22.402   2.869   5.132
  830    HG3  ARG  98           HG1      ARG  98  21.562   3.365   6.602
  831    HD2  ARG  98           HD2      ARG  98  20.309   1.282   6.613
  832    HD3  ARG  98           HD1      ARG  98  21.081   0.792   5.107
  833    HE   ARG  98           HE       ARG  98  22.349   0.949   7.755
  834   HH11  ARG  98          HH11      ARG  98  22.500   0.046   4.370
  835   HH12  ARG  98          HH12      ARG  98  23.935  -0.908   4.558
  836   HH21  ARG  98          HH21      ARG  98  24.221  -0.308   8.009
  837   HH22  ARG  98          HH22      ARG  98  24.914  -1.118   6.638
  838    H    LYS  99           HN       LYS  99  20.733   4.748   1.924
  839    HA   LYS  99           HA       LYS  99  23.642   4.756   1.850
  840    HB2  LYS  99           HB2      LYS  99  21.522   4.251  -0.219
  841    HB3  LYS  99           HB1      LYS  99  23.207   4.481  -0.667
  842    HG2  LYS  99           HG2      LYS  99  22.187   2.364   1.214
  843    HG3  LYS  99           HG1      LYS  99  22.598   2.114  -0.485
  844    HD2  LYS  99           HD2      LYS  99  24.905   2.907   0.032
  845    HD3  LYS  99           HD1      LYS  99  24.459   2.948   1.736
  846    HE2  LYS  99           HE2      LYS  99  24.011   0.566   1.704
  847    HE3  LYS  99           HE1      LYS  99  24.363   0.502  -0.023
  848    HZ1  LYS  99           HZ1      LYS  99  26.247  -0.238   1.279
  849    HZ2  LYS  99           HZ2      LYS  99  26.291   1.231   2.115
  850    HZ3  LYS  99           HZ3      LYS  99  26.631   1.190   0.459
  851    H    SER 100           HN       SER 100  20.929   6.739   0.760
  852    HA   SER 100           HA       SER 100  22.616   8.590  -0.638
  853    HB2  SER 100           HB2      SER 100  20.305   8.160  -1.370
  854    HB3  SER 100           HB1      SER 100  19.700   8.819   0.148
  855    HG   SER 100           HG       SER 100  19.802  10.707  -0.747
  856    H    ARG 101           HN       ARG 101  20.523   8.956   2.232
  857    HA   ARG 101           HA       ARG 101  21.734  11.499   2.841
  858    HB2  ARG 101           HB2      ARG 101  19.378  11.287   3.225
  859    HB3  ARG 101           HB1      ARG 101  19.609   9.857   4.219
  860    HG2  ARG 101           HG2      ARG 101  19.089  11.846   5.546
  861    HG3  ARG 101           HG1      ARG 101  20.674  11.179   5.939
  862    HD2  ARG 101           HD2      ARG 101  21.713  12.872   4.472
  863    HD3  ARG 101           HD1      ARG 101  20.117  13.564   4.177
  864    HE   ARG 101           HE       ARG 101  20.119  14.462   6.308
  865   HH11  ARG 101          HH11      ARG 101  22.910  12.386   5.854
  866   HH12  ARG 101          HH12      ARG 101  23.724  12.957   7.277
  867   HH21  ARG 101          HH21      ARG 101  21.184  15.208   8.187
  868   HH22  ARG 101          HH22      ARG 101  22.739  14.560   8.606
  869    H    ASP 102           HN       ASP 102  21.509   8.340   4.466
  870    HA   ASP 102           HA       ASP 102  23.575   9.112   6.350
  871    HB2  ASP 102           HB2      ASP 102  22.194   6.451   5.931
  872    HB3  ASP 102           HB1      ASP 102  23.307   6.817   7.239
  873    H    ARG 103           HN       ARG 103  25.250   7.141   6.660
  874    HA   ARG 103           HA       ARG 103  26.373   6.581   4.000
  875    HB2  ARG 103           HB2      ARG 103  27.739   7.501   6.507
  876    HB3  ARG 103           HB1      ARG 103  28.625   6.585   5.293
  877    HG2  ARG 103           HG2      ARG 103  28.087   8.268   3.614
  878    HG3  ARG 103           HG1      ARG 103  27.176   9.182   4.817
  879    HD2  ARG 103           HD2      ARG 103  30.080   8.498   5.171
  880    HD3  ARG 103           HD1      ARG 103  29.552   9.952   4.327
  881    HE   ARG 103           HE       ARG 103  28.244   9.931   6.768
  882   HH11  ARG 103          HH11      ARG 103  31.551  10.060   5.627
  883   HH12  ARG 103          HH12      ARG 103  32.112  10.996   6.976
  884   HH21  ARG 103          HH21      ARG 103  28.970  11.169   8.535
  885   HH22  ARG 103          HH22      ARG 103  30.641  11.635   8.628
  886    H    GLY 104           HN       GLY 104  24.581   4.915   5.487
  887    HA2  GLY 104           HA2      GLY 104  24.440   2.592   5.606
  888    HA3  GLY 104           HA1      GLY 104  26.187   2.500   5.454
  889    H    ASP 105           HN       ASP 105  27.481   2.679   7.305
  890    HA   ASP 105           HA       ASP 105  26.403   1.536   9.648
  891    HB2  ASP 105           HB2      ASP 105  29.060   2.846   9.068
  892    HB3  ASP 105           HB1      ASP 105  28.674   2.155  10.639
  893    H    GLN 106           HN       GLN 106  26.875   4.815   8.648
  894    HA   GLN 106           HA       GLN 106  26.336   5.847  11.320
  895    HB2  GLN 106           HB2      GLN 106  28.110   6.833   9.799
  896    HB3  GLN 106           HB1      GLN 106  26.800   7.437   8.794
  897    HG2  GLN 106           HG2      GLN 106  25.971   8.785  10.620
  898    HG3  GLN 106           HG1      GLN 106  27.194   8.119  11.701
  899   HE21  GLN 106          HE21      GLN 106  29.324   8.766  11.485
  900   HE22  GLN 106          HE22      GLN 106  29.776  10.174  10.587
  901    H    GLU 107           HN       GLU 107  24.277   4.366  10.064
  902    HA   GLU 107           HA       GLU 107  22.305   6.078   8.930
  903    HB2  GLU 107           HB2      GLU 107  20.769   4.141   9.394
  904    HB3  GLU 107           HB1      GLU 107  22.185   3.748   8.432
  905    HG2  GLU 107           HG2      GLU 107  23.276   2.822  10.414
  906    HG3  GLU 107           HG1      GLU 107  21.852   3.212  11.375
  907    H    VAL 108           HN       VAL 108  22.325   7.849  10.442
  908    HA   VAL 108           HA       VAL 108  20.916   7.241  12.949
  909    HB   VAL 108           HB       VAL 108  22.079   9.140  14.012
  910   HG11  VAL 108          HG11      VAL 108  23.949   7.079  12.853
  911   HG12  VAL 108          HG12      VAL 108  22.934   6.863  14.278
  912   HG13  VAL 108          HG13      VAL 108  24.238   8.052  14.296
  913   HG21  VAL 108          HG21      VAL 108  23.710   9.195  11.474
  914   HG22  VAL 108          HG22      VAL 108  24.044  10.127  12.934
  915   HG23  VAL 108          HG23      VAL 108  22.577  10.437  12.004
  916    H    PHE 109           HN       PHE 109  20.390   8.496  10.091
  917    HA   PHE 109           HA       PHE 109  19.047  10.929  10.994
  918    HB2  PHE 109           HB2      PHE 109  20.409  10.989   8.914
  919    HB3  PHE 109           HB1      PHE 109  19.291   9.843   8.182
  920    HD1  PHE 109           HD1      PHE 109  17.343  10.586   7.127
  921    HD2  PHE 109           HD2      PHE 109  19.492  13.226   9.683
  922    HE1  PHE 109           HE1      PHE 109  15.911  12.448   6.405
  923    HE2  PHE 109           HE2      PHE 109  18.060  15.093   8.964
  924    HZ   PHE 109           HZ       PHE 109  16.268  14.706   7.322
  925    H    VAL 110           HN       VAL 110  18.298   7.793   9.572
  926    HA   VAL 110           HA       VAL 110  15.444   8.374   9.710
  927    HB   VAL 110           HB       VAL 110  16.807   5.862   8.726
  928   HG11  VAL 110          HG11      VAL 110  14.643   5.410   7.651
  929   HG12  VAL 110          HG12      VAL 110  13.970   6.843   8.428
  930   HG13  VAL 110          HG13      VAL 110  14.511   5.480   9.407
  931   HG21  VAL 110          HG21      VAL 110  17.447   7.773   7.360
  932   HG22  VAL 110          HG22      VAL 110  15.751   8.217   7.164
  933   HG23  VAL 110          HG23      VAL 110  16.354   6.712   6.472
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1   2.206  13.091  -8.318
    2    H2   MET   1           HT2      MET   1   1.310  13.930  -9.483
    3    H3   MET   1           HT3      MET   1   1.087  12.265  -9.281
    4    HA   MET   1           HA       MET   1   0.478  14.318  -7.245
    5    HB2  MET   1           HB2      MET   1  -1.309  12.796  -9.145
    6    HB3  MET   1           HB1      MET   1  -1.909  13.595  -7.703
    7    HG2  MET   1           HG2      MET   1  -2.294  14.999  -9.595
    8    HG3  MET   1           HG1      MET   1  -1.061  15.738  -8.577
    9    HE1  MET   1           HE1      MET   1  -1.740  16.502 -11.645
   10    HE2  MET   1           HE2      MET   1  -0.110  16.766 -12.263
   11    HE3  MET   1           HE3      MET   1  -0.553  17.358 -10.663
   12    H    ILE   2           HN       ILE   2  -0.662  13.469  -5.418
   13    HA   ILE   2           HA       ILE   2  -0.167  10.608  -4.976
   14    HB   ILE   2           HB       ILE   2  -0.500  11.113  -2.538
   15   HG12  ILE   2          HG12      ILE   2  -1.665  13.389  -3.104
   16   HG13  ILE   2          HG11      ILE   2  -0.654  13.266  -1.671
   17   HG21  ILE   2          HG21      ILE   2   1.732  12.021  -2.217
   18   HG22  ILE   2          HG22      ILE   2   1.752  12.598  -3.882
   19   HG23  ILE   2          HG23      ILE   2   1.716  10.868  -3.551
   20   HD11  ILE   2          HD11      ILE   2   1.167  14.357  -2.832
   21   HD12  ILE   2          HD12      ILE   2  -0.293  15.345  -2.910
   22   HD13  ILE   2          HD13      ILE   2   0.217  14.410  -4.315
   23    H    ARG   3           HN       ARG   3  -1.935   9.577  -5.738
   24    HA   ARG   3           HA       ARG   3  -4.564  10.530  -4.928
   25    HB2  ARG   3           HB2      ARG   3  -5.101   9.651  -7.326
   26    HB3  ARG   3           HB1      ARG   3  -4.562  11.296  -7.080
   27    HG2  ARG   3           HG2      ARG   3  -2.314  10.652  -7.721
   28    HG3  ARG   3           HG1      ARG   3  -2.825   8.971  -7.886
   29    HD2  ARG   3           HD2      ARG   3  -2.697  10.078 -10.056
   30    HD3  ARG   3           HD1      ARG   3  -4.351   9.599  -9.677
   31    HE   ARG   3           HE       ARG   3  -4.024  12.225  -8.815
   32   HH11  ARG   3          HH11      ARG   3  -4.003  10.442 -11.821
   33   HH12  ARG   3          HH12      ARG   3  -4.578  11.777 -12.767
   34   HH21  ARG   3          HH21      ARG   3  -4.773  13.991 -10.055
   35   HH22  ARG   3          HH22      ARG   3  -5.010  13.794 -11.763
   36    H    PHE   4           HN       PHE   4  -6.144   8.985  -4.702
   37    HA   PHE   4           HA       PHE   4  -5.285   6.185  -4.829
   38    HB2  PHE   4           HB2      PHE   4  -7.344   5.746  -3.461
   39    HB3  PHE   4           HB1      PHE   4  -6.141   6.745  -2.662
   40    HD1  PHE   4           HD1      PHE   4  -6.548   9.129  -2.299
   41    HD2  PHE   4           HD2      PHE   4  -9.509   6.606  -4.023
   42    HE1  PHE   4           HE1      PHE   4  -8.263  10.829  -1.831
   43    HE2  PHE   4           HE2      PHE   4 -11.227   8.305  -3.563
   44    HZ   PHE   4           HZ       PHE   4 -10.605  10.418  -2.467
   45    H    GLU   5           HN       GLU   5  -6.056   4.890  -6.356
   46    HA   GLU   5           HA       GLU   5  -8.414   5.784  -7.868
   47    HB2  GLU   5           HB2      GLU   5  -5.958   4.364  -8.937
   48    HB3  GLU   5           HB1      GLU   5  -7.420   4.667  -9.863
   49    HG2  GLU   5           HG2      GLU   5  -7.067   7.096  -9.546
   50    HG3  GLU   5           HG1      GLU   5  -5.545   6.732  -8.736
   51    H    ILE   6           HN       ILE   6  -9.715   4.652  -6.592
   52    HA   ILE   6           HA       ILE   6  -9.214   1.815  -6.155
   53    HB   ILE   6           HB       ILE   6 -11.242   3.720  -4.994
   54   HG12  ILE   6          HG12      ILE   6  -8.853   2.471  -3.640
   55   HG13  ILE   6          HG11      ILE   6  -8.808   4.053  -4.401
   56   HG21  ILE   6          HG21      ILE   6 -10.627   0.881  -4.114
   57   HG22  ILE   6          HG22      ILE   6 -12.047   1.333  -5.053
   58   HG23  ILE   6          HG23      ILE   6 -11.833   1.957  -3.413
   59   HD11  ILE   6          HD11      ILE   6 -10.589   4.793  -2.857
   60   HD12  ILE   6          HD12      ILE   6  -9.102   4.309  -2.045
   61   HD13  ILE   6          HD13      ILE   6 -10.494   3.224  -2.055
   62    H    HIS   7           HN       HIS   7 -10.460   0.296  -6.902
   63    HA   HIS   7           HA       HIS   7 -12.982   0.975  -8.291
   64    HB2  HIS   7           HB2      HIS   7 -10.878  -1.046  -8.952
   65    HB3  HIS   7           HB1      HIS   7 -12.563  -1.348  -9.357
   66    HD1  HIS   7           HD1      HIS   7 -13.565   0.019 -11.300
   67    HD2  HIS   7           HD2      HIS   7  -9.620   0.999 -10.433
   68    HE1  HIS   7           HE1      HIS   7 -12.784   1.442 -13.217
   69    HE2  HIS   7           HE2      HIS   7 -10.442   2.136 -12.604
   70    H    GLY   8           HN       GLY   8 -14.273   0.591  -6.460
   71    HA2  GLY   8           HA2      GLY   8 -13.645  -1.923  -5.199
   72    HA3  GLY   8           HA1      GLY   8 -14.633  -0.670  -4.451
   73    H    ASP   9           HN       ASP   9 -14.657  -3.569  -6.256
   74    HA   ASP   9           HA       ASP   9 -17.291  -3.117  -7.415
   75    HB2  ASP   9           HB2      ASP   9 -15.471  -5.535  -7.552
   76    HB3  ASP   9           HB1      ASP   9 -16.987  -5.356  -8.424
   77    H    ASN  10           HN       ASN  10 -18.406  -2.929  -5.389
   78    HA   ASN  10           HA       ASN  10 -19.042  -5.535  -4.213
   79    HB2  ASN  10           HB2      ASN  10 -18.841  -4.726  -1.951
   80    HB3  ASN  10           HB1      ASN  10 -17.320  -4.431  -2.780
   81   HD21  ASN  10          HD21      ASN  10 -16.813  -2.279  -3.398
   82   HD22  ASN  10          HD22      ASN  10 -17.528  -0.938  -2.577
   83    H    LEU  11           HN       LEU  11 -20.765  -4.623  -2.227
   84    HA   LEU  11           HA       LEU  11 -23.127  -4.184  -3.661
   85    HB2  LEU  11           HB2      LEU  11 -23.112  -5.227  -1.469
   86    HB3  LEU  11           HB1      LEU  11 -22.515  -3.750  -0.738
   87    HG   LEU  11           HG       LEU  11 -24.631  -2.620  -1.323
   88   HD11  LEU  11          HD11      LEU  11 -25.270  -3.918  -3.262
   89   HD12  LEU  11          HD12      LEU  11 -26.546  -3.978  -2.047
   90   HD13  LEU  11          HD13      LEU  11 -25.468  -5.357  -2.264
   91   HD21  LEU  11          HD21      LEU  11 -24.366  -3.601   0.875
   92   HD22  LEU  11          HD22      LEU  11 -24.920  -5.162   0.268
   93   HD23  LEU  11          HD23      LEU  11 -26.030  -3.793   0.320
   94    H    THR  12           HN       THR  12 -21.416  -1.914  -1.488
   95    HA   THR  12           HA       THR  12 -22.069   0.311  -3.197
   96    HB   THR  12           HB       THR  12 -23.287   0.192  -0.427
   97    HG1  THR  12           HG1      THR  12 -24.214  -0.512  -2.907
   98   HG21  THR  12          HG21      THR  12 -24.303   2.343  -1.003
   99   HG22  THR  12          HG22      THR  12 -23.458   2.337  -2.551
  100   HG23  THR  12          HG23      THR  12 -22.542   2.450  -1.048
  101    H    ILE  13           HN       ILE  13 -20.369   1.638  -3.139
  102    HA   ILE  13           HA       ILE  13 -18.443   1.476  -0.982
  103    HB   ILE  13           HB       ILE  13 -17.124   3.097  -2.259
  104   HG12  ILE  13          HG12      ILE  13 -19.419   3.070  -4.232
  105   HG13  ILE  13          HG11      ILE  13 -19.002   4.416  -3.178
  106   HG21  ILE  13          HG21      ILE  13 -16.867   0.753  -2.783
  107   HG22  ILE  13          HG22      ILE  13 -16.717   1.714  -4.254
  108   HG23  ILE  13          HG23      ILE  13 -18.207   0.833  -3.925
  109   HD11  ILE  13          HD11      ILE  13 -18.197   4.775  -5.441
  110   HD12  ILE  13          HD12      ILE  13 -17.265   3.282  -5.357
  111   HD13  ILE  13          HD13      ILE  13 -16.854   4.637  -4.308
  112    H    THR  14           HN       THR  14 -17.626   3.507   0.035
  113    HA   THR  14           HA       THR  14 -19.587   5.620   0.300
  114    HB   THR  14           HB       THR  14 -20.560   4.306   1.939
  115    HG1  THR  14           HG1      THR  14 -20.364   5.624   3.568
  116   HG21  THR  14          HG21      THR  14 -18.959   2.479   1.967
  117   HG22  THR  14          HG22      THR  14 -19.337   2.985   3.615
  118   HG23  THR  14          HG23      THR  14 -17.815   3.475   2.869
  119    H    ASP  15           HN       ASP  15 -18.834   7.314   1.778
  120    HA   ASP  15           HA       ASP  15 -16.173   8.055   1.054
  121    HB2  ASP  15           HB2      ASP  15 -16.618  10.152   2.118
  122    HB3  ASP  15           HB1      ASP  15 -18.096   9.664   1.302
  123    H    ALA  16           HN       ALA  16 -17.501   6.289   3.577
  124    HA   ALA  16           HA       ALA  16 -15.865   6.712   5.777
  125    HB1  ALA  16           HB1      ALA  16 -16.374   4.452   6.391
  126    HB2  ALA  16           HB2      ALA  16 -16.708   4.025   4.708
  127    HB3  ALA  16           HB3      ALA  16 -17.798   5.115   5.582
  128    H    ILE  17           HN       ILE  17 -15.404   4.265   3.282
  129    HA   ILE  17           HA       ILE  17 -12.795   3.536   4.051
  130    HB   ILE  17           HB       ILE  17 -14.351   3.206   1.519
  131   HG12  ILE  17          HG12      ILE  17 -13.966   0.709   2.439
  132   HG13  ILE  17          HG11      ILE  17 -13.827   1.594   3.963
  133   HG21  ILE  17          HG21      ILE  17 -12.634   1.574   0.790
  134   HG22  ILE  17          HG22      ILE  17 -11.629   2.063   2.155
  135   HG23  ILE  17          HG23      ILE  17 -12.014   3.222   0.883
  136   HD11  ILE  17          HD11      ILE  17 -16.092   0.738   3.539
  137   HD12  ILE  17          HD12      ILE  17 -16.183   1.736   2.085
  138   HD13  ILE  17          HD13      ILE  17 -16.042   2.494   3.672
  139    H    ARG  18           HN       ARG  18 -14.109   5.768   1.678
  140    HA   ARG  18           HA       ARG  18 -11.753   6.336   0.365
  141    HB2  ARG  18           HB2      ARG  18 -14.034   7.117  -0.343
  142    HB3  ARG  18           HB1      ARG  18 -13.966   8.323   0.936
  143    HG2  ARG  18           HG2      ARG  18 -11.991   9.318  -0.118
  144    HG3  ARG  18           HG1      ARG  18 -12.092   8.125  -1.413
  145    HD2  ARG  18           HD2      ARG  18 -13.101  10.121  -2.214
  146    HD3  ARG  18           HD1      ARG  18 -14.398   8.974  -1.887
  147    HE   ARG  18           HE       ARG  18 -13.707  11.000   0.122
  148   HH11  ARG  18          HH11      ARG  18 -16.004   9.601  -2.115
  149   HH12  ARG  18          HH12      ARG  18 -17.325  10.580  -1.567
  150   HH21  ARG  18          HH21      ARG  18 -15.450  12.302   0.846
  151   HH22  ARG  18          HH22      ARG  18 -17.011  12.119   0.109
  152    H    ASN  19           HN       ASN  19 -13.274   7.823   3.179
  153    HA   ASN  19           HA       ASN  19 -11.238   9.553   3.982
  154    HB2  ASN  19           HB2      ASN  19 -13.474   8.132   5.362
  155    HB3  ASN  19           HB1      ASN  19 -12.250   8.902   6.356
  156   HD21  ASN  19          HD21      ASN  19 -15.068   9.525   6.037
  157   HD22  ASN  19          HD22      ASN  19 -15.146  11.170   5.511
  158    H    TYR  20           HN       TYR  20 -11.814   6.147   4.878
  159    HA   TYR  20           HA       TYR  20  -9.684   5.705   6.576
  160    HB2  TYR  20           HB2      TYR  20 -11.505   4.024   5.910
  161    HB3  TYR  20           HB1      TYR  20 -10.554   3.725   4.465
  162    HD1  TYR  20           HD1      TYR  20  -9.775   4.023   8.116
  163    HD2  TYR  20           HD2      TYR  20  -9.354   1.775   4.534
  164    HE1  TYR  20           HE1      TYR  20  -8.399   2.384   9.320
  165    HE2  TYR  20           HE2      TYR  20  -7.974   0.125   5.727
  166    HH   TYR  20           HH       TYR  20  -7.793  -0.059   9.059
  167    H    ILE  21           HN       ILE  21  -9.689   5.985   3.089
  168    HA   ILE  21           HA       ILE  21  -7.024   4.853   2.790
  169    HB   ILE  21           HB       ILE  21  -8.922   6.144   0.830
  170   HG12  ILE  21          HG12      ILE  21  -9.822   4.043   1.667
  171   HG13  ILE  21          HG11      ILE  21  -9.305   3.834  -0.002
  172   HG21  ILE  21          HG21      ILE  21  -7.487   5.202  -0.934
  173   HG22  ILE  21          HG22      ILE  21  -6.374   4.609   0.298
  174   HG23  ILE  21          HG23      ILE  21  -6.611   6.344   0.085
  175   HD11  ILE  21          HD11      ILE  21  -7.804   2.944   2.449
  176   HD12  ILE  21          HD12      ILE  21  -7.253   2.757   0.783
  177   HD13  ILE  21          HD13      ILE  21  -8.703   1.916   1.333
  178    H    GLU  22           HN       GLU  22  -8.808   7.745   3.020
  179    HA   GLU  22           HA       GLU  22  -6.920   9.468   1.929
  180    HB2  GLU  22           HB2      GLU  22  -9.285  10.104   2.219
  181    HB3  GLU  22           HB1      GLU  22  -9.068  10.068   3.960
  182    HG2  GLU  22           HG2      GLU  22  -9.048  12.338   3.245
  183    HG3  GLU  22           HG1      GLU  22  -7.415  11.902   3.742
  184    H    GLU  23           HN       GLU  23  -7.619   8.224   5.054
  185    HA   GLU  23           HA       GLU  23  -5.683   9.681   6.549
  186    HB2  GLU  23           HB2      GLU  23  -6.736   6.958   7.277
  187    HB3  GLU  23           HB1      GLU  23  -6.248   8.260   8.352
  188    HG2  GLU  23           HG2      GLU  23  -8.193   9.560   7.654
  189    HG3  GLU  23           HG1      GLU  23  -8.686   8.242   6.569
  190    H    LYS  24           HN       LYS  24  -5.808   6.371   5.230
  191    HA   LYS  24           HA       LYS  24  -3.277   5.527   5.992
  192    HB2  LYS  24           HB2      LYS  24  -4.859   4.860   3.506
  193    HB3  LYS  24           HB1      LYS  24  -3.380   4.030   3.961
  194    HG2  LYS  24           HG2      LYS  24  -5.526   4.156   5.995
  195    HG3  LYS  24           HG1      LYS  24  -5.807   3.129   4.592
  196    HD2  LYS  24           HD2      LYS  24  -4.828   1.765   6.276
  197    HD3  LYS  24           HD1      LYS  24  -3.591   2.047   5.054
  198    HE2  LYS  24           HE2      LYS  24  -2.594   2.244   7.224
  199    HE3  LYS  24           HE1      LYS  24  -2.656   3.842   6.489
  200    HZ1  LYS  24           HZ1      LYS  24  -4.673   4.280   7.809
  201    HZ2  LYS  24           HZ2      LYS  24  -3.326   3.967   8.780
  202    HZ3  LYS  24           HZ3      LYS  24  -4.498   2.774   8.556
  203    H    ILE  25           HN       ILE  25  -4.096   6.720   2.726
  204    HA   ILE  25           HA       ILE  25  -1.469   7.033   1.845
  205    HB   ILE  25           HB       ILE  25  -3.942   8.543   0.991
  206   HG12  ILE  25          HG12      ILE  25  -2.513   6.142  -0.171
  207   HG13  ILE  25          HG11      ILE  25  -4.088   6.140   0.618
  208   HG21  ILE  25          HG21      ILE  25  -1.943   9.811   0.399
  209   HG22  ILE  25          HG22      ILE  25  -2.705   9.133  -1.040
  210   HG23  ILE  25          HG23      ILE  25  -1.254   8.384  -0.374
  211   HD11  ILE  25          HD11      ILE  25  -4.971   7.550  -1.178
  212   HD12  ILE  25          HD12      ILE  25  -4.332   6.021  -1.781
  213   HD13  ILE  25          HD13      ILE  25  -3.398   7.505  -1.972
  214    H    GLY  26           HN       GLY  26  -3.585   9.258   3.588
  215    HA2  GLY  26           HA2      GLY  26  -1.962  11.522   3.540
  216    HA3  GLY  26           HA1      GLY  26  -3.076  11.106   4.833
  217    H    LYS  27           HN       LYS  27  -1.817   8.678   5.696
  218    HA   LYS  27           HA       LYS  27   0.118   9.985   7.379
  219    HB2  LYS  27           HB2      LYS  27  -1.339   7.435   7.423
  220    HB3  LYS  27           HB1      LYS  27   0.247   7.414   8.173
  221    HG2  LYS  27           HG2      LYS  27  -1.464   7.862   9.821
  222    HG3  LYS  27           HG1      LYS  27  -0.431   9.278   9.618
  223    HD2  LYS  27           HD2      LYS  27  -2.132  10.267   8.130
  224    HD3  LYS  27           HD1      LYS  27  -3.168   8.868   8.415
  225    HE2  LYS  27           HE2      LYS  27  -3.862  10.690   9.832
  226    HE3  LYS  27           HE1      LYS  27  -3.178   9.402  10.820
  227    HZ1  LYS  27           HZ1      LYS  27  -1.126  10.636  10.975
  228    HZ2  LYS  27           HZ2      LYS  27  -2.408  11.598  11.507
  229    HZ3  LYS  27           HZ3      LYS  27  -1.736  11.856   9.977
  230    H    LEU  28           HN       LEU  28  -0.007   7.677   4.805
  231    HA   LEU  28           HA       LEU  28   2.694   6.867   4.937
  232    HB2  LEU  28           HB2      LEU  28   0.951   6.924   2.499
  233    HB3  LEU  28           HB1      LEU  28   2.326   5.870   2.810
  234    HG   LEU  28           HG       LEU  28  -0.165   5.904   4.479
  235   HD11  LEU  28          HD11      LEU  28  -0.718   5.199   2.198
  236   HD12  LEU  28          HD12      LEU  28  -0.779   3.820   3.294
  237   HD13  LEU  28          HD13      LEU  28   0.601   4.031   2.218
  238   HD21  LEU  28          HD21      LEU  28   1.719   5.040   5.668
  239   HD22  LEU  28          HD22      LEU  28   2.177   4.012   4.313
  240   HD23  LEU  28          HD23      LEU  28   0.694   3.682   5.209
  241    H    GLU  29           HN       GLU  29   0.981   9.275   3.005
  242    HA   GLU  29           HA       GLU  29   3.182  10.246   1.554
  243    HB2  GLU  29           HB2      GLU  29   0.839  10.695   0.944
  244    HB3  GLU  29           HB1      GLU  29   0.651  11.681   2.385
  245    HG2  GLU  29           HG2      GLU  29   2.879  12.674   0.955
  246    HG3  GLU  29           HG1      GLU  29   1.560  12.443  -0.191
  247    H    ARG  30           HN       ARG  30   1.824  11.149   4.705
  248    HA   ARG  30           HA       ARG  30   3.577  13.367   4.976
  249    HB2  ARG  30           HB2      ARG  30   1.838  12.035   6.919
  250    HB3  ARG  30           HB1      ARG  30   2.782  13.441   7.326
  251    HG2  ARG  30           HG2      ARG  30   0.647  13.287   5.208
  252    HG3  ARG  30           HG1      ARG  30   0.459  14.009   6.806
  253    HD2  ARG  30           HD2      ARG  30   2.411  14.922   4.696
  254    HD3  ARG  30           HD1      ARG  30   0.860  15.679   5.041
  255    HE   ARG  30           HE       ARG  30   2.101  15.710   7.443
  256   HH11  ARG  30          HH11      ARG  30   3.110  16.708   4.249
  257   HH12  ARG  30          HH12      ARG  30   4.065  18.041   4.817
  258   HH21  ARG  30          HH21      ARG  30   3.364  17.467   8.209
  259   HH22  ARG  30          HH22      ARG  30   4.201  18.479   7.075
  260    H    TYR  31           HN       TYR  31   4.200  10.110   5.262
  261    HA   TYR  31           HA       TYR  31   6.300  10.327   7.200
  262    HB2  TYR  31           HB2      TYR  31   5.841   8.334   4.967
  263    HB3  TYR  31           HB1      TYR  31   7.196   8.242   6.081
  264    HD1  TYR  31           HD1      TYR  31   5.765   8.984   8.631
  265    HD2  TYR  31           HD2      TYR  31   4.696   6.357   5.460
  266    HE1  TYR  31           HE1      TYR  31   4.422   7.647  10.198
  267    HE2  TYR  31           HE2      TYR  31   3.344   5.018   7.017
  268    HH   TYR  31           HH       TYR  31   3.222   4.551   9.414
  269    H    PHE  32           HN       PHE  32   5.853  11.206   3.913
  270    HA   PHE  32           HA       PHE  32   8.732  11.560   3.497
  271    HB2  PHE  32           HB2      PHE  32   6.696  11.748   1.333
  272    HB3  PHE  32           HB1      PHE  32   8.365  11.251   1.250
  273    HD1  PHE  32           HD1      PHE  32   5.397  10.010   0.499
  274    HD2  PHE  32           HD2      PHE  32   8.623   9.074   3.114
  275    HE1  PHE  32           HE1      PHE  32   4.736   7.644   0.466
  276    HE2  PHE  32           HE2      PHE  32   7.967   6.705   3.083
  277    HZ   PHE  32           HZ       PHE  32   6.021   5.987   1.756
  278    H    ASN  33           HN       ASN  33   9.373  13.551   2.449
  279    HA   ASN  33           HA       ASN  33   7.177  15.462   2.174
  280    HB2  ASN  33           HB2      ASN  33   8.727  17.315   2.634
  281    HB3  ASN  33           HB1      ASN  33   8.687  16.189   3.984
  282   HD21  ASN  33          HD21      ASN  33  10.483  14.903   4.401
  283   HD22  ASN  33          HD22      ASN  33  12.037  15.246   3.724
  284    H    ASP  34           HN       ASP  34   9.090  13.551   0.502
  285    HA   ASP  34           HA       ASP  34   9.482  15.357  -1.643
  286    HB2  ASP  34           HB2      ASP  34  11.449  13.974  -2.317
  287    HB3  ASP  34           HB1      ASP  34  11.639  14.795  -0.770
  288    H    VAL  35           HN       VAL  35   7.196  13.676  -1.112
  289    HA   VAL  35           HA       VAL  35   7.414  11.608  -3.158
  290    HB   VAL  35           HB       VAL  35   6.490  10.867  -1.062
  291   HG11  VAL  35          HG11      VAL  35   4.340  11.702  -0.210
  292   HG12  VAL  35          HG12      VAL  35   4.354  12.957  -1.448
  293   HG13  VAL  35          HG13      VAL  35   5.597  12.939  -0.196
  294   HG21  VAL  35          HG21      VAL  35   4.366  11.018  -3.195
  295   HG22  VAL  35          HG22      VAL  35   4.382   9.888  -1.840
  296   HG23  VAL  35          HG23      VAL  35   5.642   9.807  -3.072
  297    HA   PRO  36           HA       PRO  36   5.084  14.442  -5.770
  298    HB2  PRO  36           HB2      PRO  36   6.283  13.803  -8.073
  299    HB3  PRO  36           HB1      PRO  36   7.093  14.799  -6.859
  300    HG2  PRO  36           HG2      PRO  36   7.548  11.964  -7.584
  301    HG3  PRO  36           HG1      PRO  36   8.686  13.159  -6.944
  302    HD2  PRO  36           HD2      PRO  36   7.304  11.130  -5.498
  303    HD3  PRO  36           HD1      PRO  36   8.337  12.412  -4.838
  304    H    ASN  37           HN       ASN  37   5.154  11.056  -5.578
  305    HA   ASN  37           HA       ASN  37   2.670  10.854  -7.046
  306    HB2  ASN  37           HB2      ASN  37   4.388  10.535  -8.809
  307    HB3  ASN  37           HB1      ASN  37   5.053   9.188  -7.890
  308   HD21  ASN  37          HD21      ASN  37   3.918   7.243  -7.808
  309   HD22  ASN  37          HD22      ASN  37   2.617   6.890  -8.889
  310    H    ALA  38           HN       ALA  38   1.375   9.680  -5.854
  311    HA   ALA  38           HA       ALA  38   2.264   7.117  -4.835
  312    HB1  ALA  38           HB1      ALA  38   1.480   7.476  -2.575
  313    HB2  ALA  38           HB2      ALA  38   1.030   9.135  -2.959
  314    HB3  ALA  38           HB3      ALA  38   2.731   8.660  -2.953
  315    H    VAL  39           HN       VAL  39   0.762   5.778  -5.604
  316    HA   VAL  39           HA       VAL  39  -1.965   6.762  -5.950
  317    HB   VAL  39           HB       VAL  39  -0.097   5.119  -7.588
  318   HG11  VAL  39          HG11      VAL  39  -3.065   4.813  -7.843
  319   HG12  VAL  39          HG12      VAL  39  -2.013   3.673  -6.994
  320   HG13  VAL  39          HG13      VAL  39  -1.797   3.956  -8.731
  321   HG21  VAL  39          HG21      VAL  39  -2.290   7.024  -8.359
  322   HG22  VAL  39          HG22      VAL  39  -1.024   6.367  -9.405
  323   HG23  VAL  39          HG23      VAL  39  -0.604   7.474  -8.101
  324    H    ALA  40           HN       ALA  40  -3.650   5.285  -5.454
  325    HA   ALA  40           HA       ALA  40  -2.831   2.653  -4.398
  326    HB1  ALA  40           HB1      ALA  40  -3.410   4.064  -2.483
  327    HB2  ALA  40           HB2      ALA  40  -4.602   2.781  -2.700
  328    HB3  ALA  40           HB3      ALA  40  -4.976   4.428  -3.211
  329    H    HIS  41           HN       HIS  41  -3.332   1.761  -6.403
  330    HA   HIS  41           HA       HIS  41  -6.043   1.887  -7.422
  331    HB2  HIS  41           HB2      HIS  41  -4.055   1.587  -8.932
  332    HB3  HIS  41           HB1      HIS  41  -3.790   0.010  -8.198
  333    HD1  HIS  41           HD1      HIS  41  -5.289  -1.919  -8.959
  334    HD2  HIS  41           HD2      HIS  41  -6.312   1.742 -10.640
  335    HE1  HIS  41           HE1      HIS  41  -6.917  -2.451 -10.792
  336    HE2  HIS  41           HE2      HIS  41  -7.336  -0.250 -11.935
  337    H    VAL  42           HN       VAL  42  -7.381   1.065  -5.839
  338    HA   VAL  42           HA       VAL  42  -6.724  -1.597  -4.733
  339    HB   VAL  42           HB       VAL  42  -7.732   0.970  -3.614
  340   HG11  VAL  42          HG11      VAL  42  -8.744  -0.148  -1.731
  341   HG12  VAL  42          HG12      VAL  42  -8.416  -1.712  -2.483
  342   HG13  VAL  42          HG13      VAL  42  -9.540  -0.585  -3.243
  343   HG21  VAL  42          HG21      VAL  42  -5.430   0.313  -3.253
  344   HG22  VAL  42          HG22      VAL  42  -5.977  -1.259  -2.643
  345   HG23  VAL  42          HG23      VAL  42  -6.315   0.211  -1.722
  346    H    LYS  43           HN       LYS  43  -8.417  -2.908  -4.377
  347    HA   LYS  43           HA       LYS  43 -10.951  -2.313  -5.710
  348    HB2  LYS  43           HB2      LYS  43  -9.622  -3.113  -7.547
  349    HB3  LYS  43           HB1      LYS  43  -8.986  -4.435  -6.591
  350    HG2  LYS  43           HG2      LYS  43 -11.302  -5.370  -6.498
  351    HG3  LYS  43           HG1      LYS  43 -11.778  -4.118  -7.650
  352    HD2  LYS  43           HD2      LYS  43 -10.207  -4.951  -9.273
  353    HD3  LYS  43           HD1      LYS  43  -9.573  -6.121  -8.114
  354    HE2  LYS  43           HE2      LYS  43 -11.850  -7.137  -8.019
  355    HE3  LYS  43           HE1      LYS  43 -12.322  -6.059  -9.332
  356    HZ1  LYS  43           HZ1      LYS  43 -10.162  -8.091  -9.442
  357    HZ2  LYS  43           HZ2      LYS  43 -10.590  -7.048 -10.703
  358    HZ3  LYS  43           HZ3      LYS  43 -11.685  -8.221 -10.173
  359    H    VAL  44           HN       VAL  44 -12.581  -3.573  -5.069
  360    HA   VAL  44           HA       VAL  44 -12.032  -5.677  -3.100
  361    HB   VAL  44           HB       VAL  44 -12.600  -3.384  -2.029
  362   HG11  VAL  44          HG11      VAL  44 -14.993  -2.857  -2.014
  363   HG12  VAL  44          HG12      VAL  44 -15.251  -4.176  -3.167
  364   HG13  VAL  44          HG13      VAL  44 -14.283  -2.766  -3.633
  365   HG21  VAL  44          HG21      VAL  44 -12.747  -5.416  -0.740
  366   HG22  VAL  44          HG22      VAL  44 -14.315  -5.795  -1.447
  367   HG23  VAL  44          HG23      VAL  44 -14.140  -4.401  -0.382
  368    H    LYS  45           HN       LYS  45 -13.855  -7.049  -2.868
  369    HA   LYS  45           HA       LYS  45 -15.987  -6.951  -4.823
  370    HB2  LYS  45           HB2      LYS  45 -13.857  -9.083  -4.774
  371    HB3  LYS  45           HB1      LYS  45 -15.463  -9.412  -5.399
  372    HG2  LYS  45           HG2      LYS  45 -15.142  -7.572  -7.030
  373    HG3  LYS  45           HG1      LYS  45 -13.489  -7.396  -6.443
  374    HD2  LYS  45           HD2      LYS  45 -13.221  -8.752  -8.305
  375    HD3  LYS  45           HD1      LYS  45 -13.283  -9.922  -6.988
  376    HE2  LYS  45           HE2      LYS  45 -15.662  -9.140  -8.668
  377    HE3  LYS  45           HE1      LYS  45 -14.632 -10.524  -9.014
  378    HZ1  LYS  45           HZ1      LYS  45 -16.552 -11.251  -7.825
  379    HZ2  LYS  45           HZ2      LYS  45 -16.308 -10.122  -6.599
  380    HZ3  LYS  45           HZ3      LYS  45 -15.220 -11.400  -6.797
  381    H    THR  46           HN       THR  46 -17.634  -7.106  -3.471
  382    HA   THR  46           HA       THR  46 -18.057  -9.552  -2.076
  383    HB   THR  46           HB       THR  46 -16.801  -8.622  -0.304
  384    HG1  THR  46           HG1      THR  46 -19.241  -7.843   0.738
  385   HG21  THR  46          HG21      THR  46 -17.176  -6.431   0.674
  386   HG22  THR  46          HG22      THR  46 -18.460  -6.109  -0.490
  387   HG23  THR  46          HG23      THR  46 -16.793  -6.273  -1.040
  388    H    TYR  47           HN       TYR  47 -19.999  -9.884  -3.034
  389    HA   TYR  47           HA       TYR  47 -21.996  -7.767  -2.930
  390    HB2  TYR  47           HB2      TYR  47 -21.880  -9.251  -4.917
  391    HB3  TYR  47           HB1      TYR  47 -22.242 -10.634  -3.892
  392    HD1  TYR  47           HD1      TYR  47 -23.684  -7.258  -4.640
  393    HD2  TYR  47           HD2      TYR  47 -24.412 -11.385  -3.905
  394    HE1  TYR  47           HE1      TYR  47 -26.090  -6.891  -4.992
  395    HE2  TYR  47           HE2      TYR  47 -26.817 -11.030  -4.257
  396    HH   TYR  47           HH       TYR  47 -28.079  -8.185  -5.618
  397    H    SER  48           HN       SER  48 -21.478  -7.847  -0.576
  398    HA   SER  48           HA       SER  48 -23.632  -8.706   0.929
  399    HB2  SER  48           HB2      SER  48 -22.502 -10.467   2.338
  400    HB3  SER  48           HB1      SER  48 -22.855 -10.992   0.691
  401    HG   SER  48           HG       SER  48 -20.619 -11.299   1.748
  402    H    ASN  49           HN       ASN  49 -23.082  -8.438   3.355
  403    HA   ASN  49           HA       ASN  49 -20.987  -6.381   3.586
  404    HB2  ASN  49           HB2      ASN  49 -23.571  -6.720   5.115
  405    HB3  ASN  49           HB1      ASN  49 -22.314  -5.580   5.578
  406   HD21  ASN  49          HD21      ASN  49 -25.071  -5.096   4.776
  407   HD22  ASN  49          HD22      ASN  49 -24.992  -4.033   3.414
  408    H    SER  50           HN       SER  50 -20.837  -9.366   3.881
  409    HA   SER  50           HA       SER  50 -19.626  -9.358   6.532
  410    HB2  SER  50           HB2      SER  50 -21.208 -11.652   5.367
  411    HB3  SER  50           HB1      SER  50 -20.384 -11.662   6.925
  412    HG   SER  50           HG       SER  50 -21.784  -9.694   7.310
  413    H    ALA  51           HN       ALA  51 -18.857  -9.259   3.603
  414    HA   ALA  51           HA       ALA  51 -16.650 -11.197   3.773
  415    HB1  ALA  51           HB1      ALA  51 -17.430 -12.360   2.043
  416    HB2  ALA  51           HB2      ALA  51 -17.172 -10.899   1.058
  417    HB3  ALA  51           HB3      ALA  51 -18.752 -11.210   1.805
  418    H    THR  52           HN       THR  52 -14.946 -10.720   2.203
  419    HA   THR  52           HA       THR  52 -15.166  -8.510   0.616
  420    HB   THR  52           HB       THR  52 -13.166  -8.337   2.863
  421    HG1  THR  52           HG1      THR  52 -15.348  -7.378   3.059
  422   HG21  THR  52          HG21      THR  52 -12.498  -6.177   1.614
  423   HG22  THR  52          HG22      THR  52 -13.156  -7.006   0.206
  424   HG23  THR  52          HG23      THR  52 -11.824  -7.724   1.108
  425    H    LYS  53           HN       LYS  53 -13.960  -8.781  -1.239
  426    HA   LYS  53           HA       LYS  53 -11.432 -10.235  -0.914
  427    HB2  LYS  53           HB2      LYS  53 -13.033 -11.630  -2.172
  428    HB3  LYS  53           HB1      LYS  53 -13.270 -10.323  -3.319
  429    HG2  LYS  53           HG2      LYS  53 -10.872 -10.503  -3.935
  430    HG3  LYS  53           HG1      LYS  53 -10.753 -11.912  -2.879
  431    HD2  LYS  53           HD2      LYS  53 -12.599 -11.647  -5.253
  432    HD3  LYS  53           HD1      LYS  53 -11.087 -12.552  -5.228
  433    HE2  LYS  53           HE2      LYS  53 -11.977 -14.054  -3.548
  434    HE3  LYS  53           HE1      LYS  53 -13.461 -13.109  -3.453
  435    HZ1  LYS  53           HZ1      LYS  53 -13.720 -15.101  -4.810
  436    HZ2  LYS  53           HZ2      LYS  53 -12.512 -14.562  -5.860
  437    HZ3  LYS  53           HZ3      LYS  53 -13.961 -13.700  -5.728
  438    H    ILE  54           HN       ILE  54  -9.726  -9.007  -1.314
  439    HA   ILE  54           HA       ILE  54 -10.266  -6.458  -2.662
  440    HB   ILE  54           HB       ILE  54  -8.356  -5.633  -1.102
  441   HG12  ILE  54          HG12      ILE  54  -8.750  -6.781   1.200
  442   HG13  ILE  54          HG11      ILE  54  -9.276  -8.160   0.244
  443   HG21  ILE  54          HG21      ILE  54 -10.607  -4.854  -1.192
  444   HG22  ILE  54          HG22      ILE  54 -10.060  -4.976   0.490
  445   HG23  ILE  54          HG23      ILE  54 -11.138  -6.214  -0.183
  446   HD11  ILE  54          HD11      ILE  54  -6.951  -8.379   0.891
  447   HD12  ILE  54          HD12      ILE  54  -6.572  -6.845   0.107
  448   HD13  ILE  54          HD13      ILE  54  -7.097  -8.222  -0.860
  449    H    GLU  55           HN       GLU  55  -8.463  -5.296  -3.507
  450    HA   GLU  55           HA       GLU  55  -6.060  -6.813  -4.104
  451    HB2  GLU  55           HB2      GLU  55  -8.129  -5.949  -6.086
  452    HB3  GLU  55           HB1      GLU  55  -6.438  -5.903  -6.502
  453    HG2  GLU  55           HG2      GLU  55  -6.244  -8.283  -6.133
  454    HG3  GLU  55           HG1      GLU  55  -7.916  -8.348  -5.579
  455    H    VAL  56           HN       VAL  56  -4.634  -5.321  -3.420
  456    HA   VAL  56           HA       VAL  56  -5.173  -2.468  -3.933
  457    HB   VAL  56           HB       VAL  56  -4.404  -2.073  -1.824
  458   HG11  VAL  56          HG11      VAL  56  -5.233  -4.253  -1.382
  459   HG12  VAL  56          HG12      VAL  56  -3.844  -3.865  -0.373
  460   HG13  VAL  56          HG13      VAL  56  -3.658  -4.928  -1.764
  461   HG21  VAL  56          HG21      VAL  56  -1.797  -3.439  -2.640
  462   HG22  VAL  56          HG22      VAL  56  -1.987  -2.307  -1.314
  463   HG23  VAL  56          HG23      VAL  56  -2.176  -1.755  -2.968
  464    H    THR  57           HN       THR  57  -3.768  -1.360  -5.026
  465    HA   THR  57           HA       THR  57  -1.076  -2.388  -5.350
  466    HB   THR  57           HB       THR  57  -2.595  -1.528  -7.843
  467    HG1  THR  57           HG1      THR  57  -2.410  -3.989  -6.600
  468   HG21  THR  57          HG21      THR  57  -0.185  -1.119  -7.914
  469   HG22  THR  57          HG22      THR  57  -0.639  -2.407  -9.030
  470   HG23  THR  57          HG23      THR  57   0.118  -2.803  -7.487
  471    H    ILE  58           HN       ILE  58  -0.019  -0.823  -4.600
  472    HA   ILE  58           HA       ILE  58  -0.999   1.960  -4.895
  473    HB   ILE  58           HB       ILE  58   0.213   0.372  -2.626
  474   HG12  ILE  58          HG12      ILE  58  -2.294   2.048  -2.736
  475   HG13  ILE  58          HG11      ILE  58  -2.240   0.308  -2.985
  476   HG21  ILE  58          HG21      ILE  58  -0.128   3.378  -2.732
  477   HG22  ILE  58          HG22      ILE  58   1.394   2.496  -2.604
  478   HG23  ILE  58          HG23      ILE  58   0.237   2.458  -1.272
  479   HD11  ILE  58          HD11      ILE  58  -2.963   0.862  -0.738
  480   HD12  ILE  58          HD12      ILE  58  -1.473   1.767  -0.467
  481   HD13  ILE  58          HD13      ILE  58  -1.413   0.020  -0.704
  482    HA   PRO  59           HA       PRO  59   3.333   2.006  -6.663
  483    HB2  PRO  59           HB2      PRO  59   1.998   4.031  -8.379
  484    HB3  PRO  59           HB1      PRO  59   3.021   2.655  -8.842
  485    HG2  PRO  59           HG2      PRO  59   0.401   2.606  -9.291
  486    HG3  PRO  59           HG1      PRO  59   1.247   1.147  -8.730
  487    HD2  PRO  59           HD2      PRO  59  -0.345   3.127  -7.136
  488    HD3  PRO  59           HD1      PRO  59  -0.444   1.355  -7.118
  489    H    LEU  60           HN       LEU  60   4.163   3.081  -4.827
  490    HA   LEU  60           HA       LEU  60   3.722   5.916  -4.571
  491    HB2  LEU  60           HB2      LEU  60   5.672   4.053  -3.207
  492    HB3  LEU  60           HB1      LEU  60   5.291   5.681  -2.735
  493    HG   LEU  60           HG       LEU  60   3.383   3.362  -2.648
  494   HD11  LEU  60          HD11      LEU  60   3.581   3.563  -0.230
  495   HD12  LEU  60          HD12      LEU  60   4.779   4.842  -0.428
  496   HD13  LEU  60          HD13      LEU  60   5.140   3.204  -0.971
  497   HD21  LEU  60          HD21      LEU  60   1.917   4.895  -1.422
  498   HD22  LEU  60          HD22      LEU  60   2.214   5.445  -3.070
  499   HD23  LEU  60          HD23      LEU  60   3.052   6.210  -1.719
  500    H    LYS  61           HN       LYS  61   5.994   7.172  -4.345
  501    HA   LYS  61           HA       LYS  61   7.432   7.079  -6.764
  502    HB2  LYS  61           HB2      LYS  61   7.376   8.874  -4.836
  503    HB3  LYS  61           HB1      LYS  61   8.634   7.841  -4.142
  504    HG2  LYS  61           HG2      LYS  61   8.852   9.050  -6.893
  505    HG3  LYS  61           HG1      LYS  61   9.438   9.855  -5.439
  506    HD2  LYS  61           HD2      LYS  61  10.896   7.922  -4.983
  507    HD3  LYS  61           HD1      LYS  61  10.327   7.159  -6.467
  508    HE2  LYS  61           HE2      LYS  61  12.462   8.195  -6.870
  509    HE3  LYS  61           HE1      LYS  61  11.212   9.073  -7.750
  510    HZ1  LYS  61           HZ1      LYS  61  11.213  10.753  -6.031
  511    HZ2  LYS  61           HZ2      LYS  61  12.773  10.563  -6.644
  512    HZ3  LYS  61           HZ3      LYS  61  12.372   9.899  -5.144
  513    H    ASN  62           HN       ASN  62   8.064   5.985  -3.512
  514    HA   ASN  62           HA       ASN  62  10.595   5.065  -3.987
  515    HB2  ASN  62           HB2      ASN  62   9.699   5.712  -1.796
  516    HB3  ASN  62           HB1      ASN  62   8.817   4.214  -1.828
  517   HD21  ASN  62          HD21      ASN  62  12.083   4.655  -2.985
  518   HD22  ASN  62          HD22      ASN  62  12.828   3.644  -1.801
  519    H    VAL  63           HN       VAL  63   7.672   3.201  -3.322
  520    HA   VAL  63           HA       VAL  63   8.574   1.067  -5.086
  521    HB   VAL  63           HB       VAL  63   9.373   0.604  -2.803
  522   HG11  VAL  63          HG11      VAL  63   7.681   1.698  -1.508
  523   HG12  VAL  63          HG12      VAL  63   7.762  -0.003  -1.045
  524   HG13  VAL  63          HG13      VAL  63   6.460   0.568  -2.087
  525   HG21  VAL  63          HG21      VAL  63   7.250  -1.292  -3.787
  526   HG22  VAL  63          HG22      VAL  63   8.509  -1.694  -2.619
  527   HG23  VAL  63          HG23      VAL  63   8.946  -1.268  -4.273
  528    H    THR  64           HN       THR  64   6.894  -0.387  -5.693
  529    HA   THR  64           HA       THR  64   4.163   0.690  -5.392
  530    HB   THR  64           HB       THR  64   5.300  -1.166  -7.502
  531    HG1  THR  64           HG1      THR  64   5.598   1.371  -7.352
  532   HG21  THR  64          HG21      THR  64   2.548   0.064  -7.288
  533   HG22  THR  64          HG22      THR  64   2.938  -1.636  -7.033
  534   HG23  THR  64          HG23      THR  64   3.145  -0.915  -8.628
  535    H    LEU  65           HN       LEU  65   2.888  -0.453  -3.991
  536    HA   LEU  65           HA       LEU  65   3.578  -3.278  -3.567
  537    HB2  LEU  65           HB2      LEU  65   2.024  -1.373  -1.830
  538    HB3  LEU  65           HB1      LEU  65   1.985  -3.096  -1.625
  539    HG   LEU  65           HG       LEU  65   4.619  -2.877  -1.605
  540   HD11  LEU  65          HD11      LEU  65   3.743  -0.220  -0.493
  541   HD12  LEU  65          HD12      LEU  65   4.742  -0.482  -1.918
  542   HD13  LEU  65          HD13      LEU  65   5.362  -0.918  -0.315
  543   HD21  LEU  65          HD21      LEU  65   4.485  -2.868   0.843
  544   HD22  LEU  65          HD22      LEU  65   3.306  -3.936   0.089
  545   HD23  LEU  65          HD23      LEU  65   2.797  -2.373   0.726
  546    H    ARG  66           HN       ARG  66   1.885  -4.829  -3.331
  547    HA   ARG  66           HA       ARG  66  -0.759  -4.080  -4.263
  548    HB2  ARG  66           HB2      ARG  66   0.532  -4.608  -6.161
  549    HB3  ARG  66           HB1      ARG  66   1.017  -6.154  -5.552
  550    HG2  ARG  66           HG2      ARG  66  -1.864  -5.494  -6.048
  551    HG3  ARG  66           HG1      ARG  66  -0.814  -6.018  -7.364
  552    HD2  ARG  66           HD2      ARG  66  -1.399  -7.516  -4.829
  553    HD3  ARG  66           HD1      ARG  66  -2.035  -7.895  -6.426
  554    HE   ARG  66           HE       ARG  66   0.464  -8.144  -7.007
  555   HH11  ARG  66          HH11      ARG  66  -0.947  -8.997  -3.919
  556   HH12  ARG  66          HH12      ARG  66   0.162 -10.290  -3.625
  557   HH21  ARG  66          HH21      ARG  66   1.937  -9.837  -6.613
  558   HH22  ARG  66          HH22      ARG  66   1.801 -10.774  -5.160
  559    H    ALA  67           HN       ALA  67  -2.308  -5.357  -3.538
  560    HA   ALA  67           HA       ALA  67  -1.656  -7.982  -2.309
  561    HB1  ALA  67           HB1      ALA  67  -2.881  -7.764  -0.372
  562    HB2  ALA  67           HB2      ALA  67  -4.008  -6.619  -1.078
  563    HB3  ALA  67           HB3      ALA  67  -2.431  -6.070  -0.540
  564    H    GLU  68           HN       GLU  68  -3.407  -9.535  -2.465
  565    HA   GLU  68           HA       GLU  68  -5.744  -8.806  -4.003
  566    HB2  GLU  68           HB2      GLU  68  -5.178 -10.666  -5.709
  567    HB3  GLU  68           HB1      GLU  68  -4.361  -9.118  -5.886
  568    HG2  GLU  68           HG2      GLU  68  -2.356  -9.967  -4.958
  569    HG3  GLU  68           HG1      GLU  68  -3.148 -11.450  -4.436
  570    H    GLU  69           HN       GLU  69  -6.696  -9.574  -2.000
  571    HA   GLU  69           HA       GLU  69  -6.463 -12.477  -1.583
  572    HB2  GLU  69           HB2      GLU  69  -5.938 -10.364   0.507
  573    HB3  GLU  69           HB1      GLU  69  -6.211 -12.060   0.885
  574    HG2  GLU  69           HG2      GLU  69  -4.246 -12.710  -0.311
  575    HG3  GLU  69           HG1      GLU  69  -4.022 -11.073  -0.920
  576    H    ARG  70           HN       ARG  70  -8.192 -13.454  -0.553
  577    HA   ARG  70           HA       ARG  70 -10.620 -11.859  -0.591
  578    HB2  ARG  70           HB2      ARG  70 -11.808 -14.015  -0.482
  579    HB3  ARG  70           HB1      ARG  70 -10.698 -13.933  -1.838
  580    HG2  ARG  70           HG2      ARG  70  -9.071 -15.260  -0.565
  581    HG3  ARG  70           HG1      ARG  70 -10.228 -15.372   0.765
  582    HD2  ARG  70           HD2      ARG  70 -10.549 -16.451  -2.029
  583    HD3  ARG  70           HD1      ARG  70 -10.346 -17.382  -0.546
  584    HE   ARG  70           HE       ARG  70 -12.648 -15.666  -0.497
  585   HH11  ARG  70          HH11      ARG  70 -11.435 -18.792  -1.504
  586   HH12  ARG  70          HH12      ARG  70 -13.002 -19.531  -1.535
  587   HH21  ARG  70          HH21      ARG  70 -14.712 -16.629  -0.551
  588   HH22  ARG  70          HH22      ARG  70 -14.872 -18.300  -0.989
  589    H    ASN  71           HN       ASN  71  -9.460 -10.879   1.353
  590    HA   ASN  71           HA       ASN  71  -9.975 -12.316   3.842
  591    HB2  ASN  71           HB2      ASN  71  -7.864 -10.984   3.534
  592    HB3  ASN  71           HB1      ASN  71  -8.822  -9.533   3.472
  593   HD21  ASN  71          HD21      ASN  71  -6.816  -9.922   5.079
  594   HD22  ASN  71          HD22      ASN  71  -7.424  -9.911   6.656
  595    H    ASP  72           HN       ASP  72 -11.845 -12.117   4.872
  596    HA   ASP  72           HA       ASP  72 -14.010 -10.740   3.788
  597    HB2  ASP  72           HB2      ASP  72 -15.238 -11.361   5.806
  598    HB3  ASP  72           HB1      ASP  72 -14.269 -12.707   5.222
  599    H    ASP  73           HN       ASP  73 -11.659  -9.684   6.145
  600    HA   ASP  73           HA       ASP  73 -13.039  -7.098   6.334
  601    HB2  ASP  73           HB2      ASP  73 -10.566  -8.190   7.711
  602    HB3  ASP  73           HB1      ASP  73 -11.157  -6.558   7.886
  603    H    LEU  74           HN       LEU  74 -12.933  -6.389   4.515
  604    HA   LEU  74           HA       LEU  74 -11.131  -5.675   2.751
  605    HB2  LEU  74           HB2      LEU  74 -13.316  -4.725   2.837
  606    HB3  LEU  74           HB1      LEU  74 -12.981  -4.120   4.463
  607    HG   LEU  74           HG       LEU  74 -11.701  -2.308   3.639
  608   HD11  LEU  74          HD11      LEU  74 -11.249  -2.023   1.202
  609   HD12  LEU  74          HD12      LEU  74 -11.753  -3.701   0.977
  610   HD13  LEU  74          HD13      LEU  74 -10.353  -3.322   1.990
  611   HD21  LEU  74          HD21      LEU  74 -14.079  -2.709   1.836
  612   HD22  LEU  74          HD22      LEU  74 -13.251  -1.178   2.103
  613   HD23  LEU  74          HD23      LEU  74 -14.085  -1.972   3.437
  614    H    TYR  75           HN       TYR  75 -11.422  -4.278   5.950
  615    HA   TYR  75           HA       TYR  75  -9.468  -2.369   5.391
  616    HB2  TYR  75           HB2      TYR  75 -10.895  -3.102   7.939
  617    HB3  TYR  75           HB1      TYR  75  -9.611  -1.912   7.918
  618    HD1  TYR  75           HD1      TYR  75 -10.387  -0.874   5.141
  619    HD2  TYR  75           HD2      TYR  75 -12.396  -1.753   8.725
  620    HE1  TYR  75           HE1      TYR  75 -11.961   0.761   4.624
  621    HE2  TYR  75           HE2      TYR  75 -13.993  -0.104   8.231
  622    HH   TYR  75           HH       TYR  75 -14.271   1.963   6.889
  623    H    ALA  76           HN       ALA  76  -9.506  -5.563   6.442
  624    HA   ALA  76           HA       ALA  76  -6.963  -5.579   7.819
  625    HB1  ALA  76           HB1      ALA  76  -8.925  -7.057   8.393
  626    HB2  ALA  76           HB2      ALA  76  -7.387  -7.890   8.153
  627    HB3  ALA  76           HB3      ALA  76  -8.606  -7.903   6.872
  628    H    GLY  77           HN       GLY  77  -8.388  -6.256   4.708
  629    HA2  GLY  77           HA2      GLY  77  -6.087  -7.571   3.626
  630    HA3  GLY  77           HA1      GLY  77  -7.454  -6.896   2.746
  631    H    ILE  78           HN       ILE  78  -7.471  -4.323   3.271
  632    HA   ILE  78           HA       ILE  78  -5.369  -3.212   1.872
  633    HB   ILE  78           HB       ILE  78  -7.462  -1.978   3.661
  634   HG12  ILE  78          HG12      ILE  78  -7.050  -2.087   0.668
  635   HG13  ILE  78          HG11      ILE  78  -8.278  -2.943   1.593
  636   HG21  ILE  78          HG21      ILE  78  -5.524  -0.508   3.735
  637   HG22  ILE  78          HG22      ILE  78  -6.816   0.215   2.778
  638   HG23  ILE  78          HG23      ILE  78  -5.430  -0.522   1.974
  639   HD11  ILE  78          HD11      ILE  78  -9.299  -0.805   2.198
  640   HD12  ILE  78          HD12      ILE  78  -9.227  -1.035   0.451
  641   HD13  ILE  78          HD13      ILE  78  -8.075   0.037   1.248
  642    H    ASP  79           HN       ASP  79  -5.926  -3.504   5.416
  643    HA   ASP  79           HA       ASP  79  -3.471  -2.183   6.233
  644    HB2  ASP  79           HB2      ASP  79  -5.444  -2.526   7.739
  645    HB3  ASP  79           HB1      ASP  79  -5.080  -4.248   7.746
  646    H    LEU  80           HN       LEU  80  -4.297  -5.558   5.512
  647    HA   LEU  80           HA       LEU  80  -1.839  -6.630   6.226
  648    HB2  LEU  80           HB2      LEU  80  -3.988  -7.733   5.145
  649    HB3  LEU  80           HB1      LEU  80  -3.141  -7.435   3.642
  650    HG   LEU  80           HG       LEU  80  -2.830  -9.733   4.413
  651   HD11  LEU  80          HD11      LEU  80  -0.297  -8.119   4.596
  652   HD12  LEU  80          HD12      LEU  80  -1.049  -8.705   3.114
  653   HD13  LEU  80          HD13      LEU  80  -0.405  -9.851   4.289
  654   HD21  LEU  80          HD21      LEU  80  -1.482  -8.513   6.816
  655   HD22  LEU  80          HD22      LEU  80  -1.584 -10.231   6.435
  656   HD23  LEU  80          HD23      LEU  80  -3.048  -9.323   6.813
  657    H    ILE  81           HN       ILE  81  -2.837  -5.412   2.987
  658    HA   ILE  81           HA       ILE  81  -0.216  -5.163   2.074
  659    HB   ILE  81           HB       ILE  81  -2.718  -4.688   1.041
  660   HG12  ILE  81          HG12      ILE  81  -0.789  -5.741  -0.023
  661   HG13  ILE  81          HG11      ILE  81  -1.447  -4.473  -1.052
  662   HG21  ILE  81          HG21      ILE  81  -2.321  -2.282   1.894
  663   HG22  ILE  81          HG22      ILE  81  -2.858  -2.496   0.236
  664   HG23  ILE  81          HG23      ILE  81  -1.160  -2.163   0.573
  665   HD11  ILE  81          HD11      ILE  81   1.000  -4.576  -0.977
  666   HD12  ILE  81          HD12      ILE  81   0.936  -4.159   0.736
  667   HD13  ILE  81          HD13      ILE  81   0.338  -3.019  -0.472
  668    H    ASN  82           HN       ASN  82  -2.071  -2.773   3.980
  669    HA   ASN  82           HA       ASN  82  -0.247  -0.656   3.274
  670    HB2  ASN  82           HB2      ASN  82  -2.807  -0.870   4.614
  671    HB3  ASN  82           HB1      ASN  82  -1.729   0.237   5.456
  672   HD21  ASN  82          HD21      ASN  82  -3.364  -0.449   2.461
  673   HD22  ASN  82          HD22      ASN  82  -3.224   1.140   1.793
  674    H    ASN  83           HN       ASN  83  -0.657  -2.844   5.894
  675    HA   ASN  83           HA       ASN  83   1.234  -1.498   7.599
  676    HB2  ASN  83           HB2      ASN  83   0.184  -2.771   9.128
  677    HB3  ASN  83           HB1      ASN  83  -0.839  -3.384   7.802
  678   HD21  ASN  83          HD21      ASN  83   1.921  -4.009   9.874
  679   HD22  ASN  83          HD22      ASN  83   2.046  -5.697   9.532
  680    H    LYS  84           HN       LYS  84   1.076  -4.349   5.486
  681    HA   LYS  84           HA       LYS  84   3.868  -4.927   5.556
  682    HB2  LYS  84           HB2      LYS  84   2.189  -6.476   4.600
  683    HB3  LYS  84           HB1      LYS  84   1.912  -5.346   3.284
  684    HG2  LYS  84           HG2      LYS  84   4.335  -5.608   2.680
  685    HG3  LYS  84           HG1      LYS  84   4.412  -6.915   3.862
  686    HD2  LYS  84           HD2      LYS  84   2.560  -6.815   1.480
  687    HD3  LYS  84           HD1      LYS  84   4.057  -7.746   1.574
  688    HE2  LYS  84           HE2      LYS  84   3.129  -9.018   3.457
  689    HE3  LYS  84           HE1      LYS  84   1.631  -8.099   3.332
  690    HZ1  LYS  84           HZ1      LYS  84   2.755  -9.854   1.224
  691    HZ2  LYS  84           HZ2      LYS  84   1.317  -8.975   1.107
  692    HZ3  LYS  84           HZ3      LYS  84   1.451 -10.234   2.229
  693    H    LEU  85           HN       LEU  85   2.013  -2.428   4.125
  694    HA   LEU  85           HA       LEU  85   3.843  -1.620   2.122
  695    HB2  LEU  85           HB2      LEU  85   1.483  -0.970   2.053
  696    HB3  LEU  85           HB1      LEU  85   1.683  -0.054   3.531
  697    HG   LEU  85           HG       LEU  85   3.370   0.697   1.190
  698   HD11  LEU  85          HD11      LEU  85   1.575   2.122   0.332
  699   HD12  LEU  85          HD12      LEU  85   0.454   1.402   1.488
  700   HD13  LEU  85          HD13      LEU  85   1.160   0.413   0.209
  701   HD21  LEU  85          HD21      LEU  85   3.015   2.938   2.113
  702   HD22  LEU  85          HD22      LEU  85   3.666   1.835   3.326
  703   HD23  LEU  85          HD23      LEU  85   1.954   2.257   3.346
  704    H    GLU  86           HN       GLU  86   3.099  -0.282   5.345
  705    HA   GLU  86           HA       GLU  86   5.273   1.418   5.523
  706    HB2  GLU  86           HB2      GLU  86   3.863  -0.263   7.578
  707    HB3  GLU  86           HB1      GLU  86   5.178   0.817   8.022
  708    HG2  GLU  86           HG2      GLU  86   3.848   2.670   6.947
  709    HG3  GLU  86           HG1      GLU  86   2.507   1.531   6.852
  710    H    ARG  87           HN       ARG  87   5.033  -2.066   6.192
  711    HA   ARG  87           HA       ARG  87   7.694  -2.497   6.932
  712    HB2  ARG  87           HB2      ARG  87   5.872  -4.081   7.242
  713    HB3  ARG  87           HB1      ARG  87   5.929  -4.348   5.530
  714    HG2  ARG  87           HG2      ARG  87   8.262  -5.141   5.744
  715    HG3  ARG  87           HG1      ARG  87   8.079  -5.002   7.495
  716    HD2  ARG  87           HD2      ARG  87   6.524  -6.790   5.633
  717    HD3  ARG  87           HD1      ARG  87   7.692  -7.287   6.857
  718    HE   ARG  87           HE       ARG  87   5.944  -6.074   8.401
  719   HH11  ARG  87          HH11      ARG  87   5.335  -8.219   5.699
  720   HH12  ARG  87          HH12      ARG  87   3.821  -8.791   6.331
  721   HH21  ARG  87          HH21      ARG  87   3.957  -6.816   9.230
  722   HH22  ARG  87          HH22      ARG  87   3.039  -7.992   8.340
  723    H    GLN  88           HN       GLN  88   6.286  -2.302   3.710
  724    HA   GLN  88           HA       GLN  88   8.619  -3.598   2.503
  725    HB2  GLN  88           HB2      GLN  88   6.059  -3.810   1.785
  726    HB3  GLN  88           HB1      GLN  88   6.425  -2.344   0.900
  727    HG2  GLN  88           HG2      GLN  88   6.694  -4.182  -0.577
  728    HG3  GLN  88           HG1      GLN  88   8.292  -3.533  -0.211
  729   HE21  GLN  88          HE21      GLN  88   9.314  -5.456  -0.736
  730   HE22  GLN  88          HE22      GLN  88   9.230  -6.854   0.279
  731    H    VAL  89           HN       VAL  89   6.858  -0.638   2.599
  732    HA   VAL  89           HA       VAL  89   8.330   0.943   0.937
  733    HB   VAL  89           HB       VAL  89   6.618   1.410   3.311
  734   HG11  VAL  89          HG11      VAL  89   8.410   3.079   3.596
  735   HG12  VAL  89          HG12      VAL  89   6.902   3.858   3.116
  736   HG13  VAL  89          HG13      VAL  89   8.185   3.616   1.931
  737   HG21  VAL  89          HG21      VAL  89   6.531   2.377   0.452
  738   HG22  VAL  89          HG22      VAL  89   5.297   2.676   1.675
  739   HG23  VAL  89          HG23      VAL  89   5.619   1.030   1.132
  740    H    ARG  90           HN       ARG  90   8.644   0.452   4.409
  741    HA   ARG  90           HA       ARG  90  11.031   1.995   4.610
  742    HB2  ARG  90           HB2      ARG  90  11.347   1.191   6.825
  743    HB3  ARG  90           HB1      ARG  90   9.633   1.549   6.604
  744    HG2  ARG  90           HG2      ARG  90   9.266  -0.897   6.239
  745    HG3  ARG  90           HG1      ARG  90  10.957  -1.154   6.673
  746    HD2  ARG  90           HD2      ARG  90   8.810   0.059   8.405
  747    HD3  ARG  90           HD1      ARG  90   9.548  -1.528   8.602
  748    HE   ARG  90           HE       ARG  90  11.671   0.126   8.747
  749   HH11  ARG  90          HH11      ARG  90   8.562   0.152  10.344
  750   HH12  ARG  90          HH12      ARG  90   9.168   0.884  11.796
  751   HH21  ARG  90          HH21      ARG  90  12.473   1.112  10.652
  752   HH22  ARG  90          HH22      ARG  90  11.389   1.426  11.970
  753    H    LYS  91           HN       LYS  91  10.432  -1.458   4.091
  754    HA   LYS  91           HA       LYS  91  13.039  -2.330   4.377
  755    HB2  LYS  91           HB2      LYS  91  11.124  -3.786   4.171
  756    HB3  LYS  91           HB1      LYS  91  11.073  -3.293   2.523
  757    HG2  LYS  91           HG2      LYS  91  12.096  -5.488   2.738
  758    HG3  LYS  91           HG1      LYS  91  13.211  -4.303   2.058
  759    HD2  LYS  91           HD2      LYS  91  14.269  -4.011   4.220
  760    HD3  LYS  91           HD1      LYS  91  13.101  -5.102   4.966
  761    HE2  LYS  91           HE2      LYS  91  15.067  -5.854   2.806
  762    HE3  LYS  91           HE1      LYS  91  15.264  -6.189   4.525
  763    HZ1  LYS  91           HZ1      LYS  91  13.214  -7.510   4.431
  764    HZ2  LYS  91           HZ2      LYS  91  14.417  -8.121   3.410
  765    HZ3  LYS  91           HZ3      LYS  91  13.123  -7.247   2.762
  766    H    TYR  92           HN       TYR  92  11.346  -0.981   1.673
  767    HA   TYR  92           HA       TYR  92  13.485  -1.309  -0.187
  768    HB2  TYR  92           HB2      TYR  92  10.989  -1.032  -0.707
  769    HB3  TYR  92           HB1      TYR  92  11.246   0.692  -0.458
  770    HD1  TYR  92           HD1      TYR  92  11.483  -2.029  -2.767
  771    HD2  TYR  92           HD2      TYR  92  12.985   1.860  -1.923
  772    HE1  TYR  92           HE1      TYR  92  12.241  -1.821  -5.095
  773    HE2  TYR  92           HE2      TYR  92  13.742   2.081  -4.250
  774    HH   TYR  92           HH       TYR  92  12.769  -0.042  -6.713
  775    H    LYS  93           HN       LYS  93  12.164   1.615   1.445
  776    HA   LYS  93           HA       LYS  93  14.180   3.302   0.384
  777    HB2  LYS  93           HB2      LYS  93  13.420   4.985   1.988
  778    HB3  LYS  93           HB1      LYS  93  12.071   4.234   1.151
  779    HG2  LYS  93           HG2      LYS  93  11.616   2.857   3.086
  780    HG3  LYS  93           HG1      LYS  93  12.997   3.553   3.931
  781    HD2  LYS  93           HD2      LYS  93  10.620   5.129   2.949
  782    HD3  LYS  93           HD1      LYS  93  10.796   4.519   4.591
  783    HE2  LYS  93           HE2      LYS  93  11.569   6.666   4.839
  784    HE3  LYS  93           HE1      LYS  93  13.071   5.808   4.513
  785    HZ1  LYS  93           HZ1      LYS  93  12.753   7.923   3.255
  786    HZ2  LYS  93           HZ2      LYS  93  11.497   7.178   2.408
  787    HZ3  LYS  93           HZ3      LYS  93  13.070   6.578   2.284
  788    H    THR  94           HN       THR  94  13.906   1.599   3.487
  789    HA   THR  94           HA       THR  94  16.268   2.688   4.579
  790    HB   THR  94           HB       THR  94  14.650   0.234   5.247
  791    HG1  THR  94           HG1      THR  94  14.573   2.782   5.930
  792   HG21  THR  94          HG21      THR  94  16.988  -0.362   5.710
  793   HG22  THR  94          HG22      THR  94  16.090  -0.123   7.207
  794   HG23  THR  94          HG23      THR  94  17.190   1.128   6.630
  795    H    ARG  95           HN       ARG  95  15.658  -0.247   2.630
  796    HA   ARG  95           HA       ARG  95  18.311  -1.186   2.656
  797    HB2  ARG  95           HB2      ARG  95  16.657  -2.665   1.831
  798    HB3  ARG  95           HB1      ARG  95  16.097  -1.500   0.640
  799    HG2  ARG  95           HG2      ARG  95  18.130  -1.757  -0.632
  800    HG3  ARG  95           HG1      ARG  95  18.802  -2.824   0.602
  801    HD2  ARG  95           HD2      ARG  95  16.247  -3.431  -0.860
  802    HD3  ARG  95           HD1      ARG  95  17.826  -3.940  -1.454
  803    HE   ARG  95           HE       ARG  95  17.894  -4.932   1.001
  804   HH11  ARG  95          HH11      ARG  95  15.280  -4.966  -1.320
  805   HH12  ARG  95          HH12      ARG  95  14.669  -6.506  -0.803
  806   HH21  ARG  95          HH21      ARG  95  17.107  -6.971   1.673
  807   HH22  ARG  95          HH22      ARG  95  15.718  -7.653   0.885
  808    H    ILE  96           HN       ILE  96  16.678   0.957   0.279
  809    HA   ILE  96           HA       ILE  96  18.973   1.202  -1.352
  810    HB   ILE  96           HB       ILE  96  16.683   1.716  -2.152
  811   HG12  ILE  96          HG12      ILE  96  17.299   3.735  -3.481
  812   HG13  ILE  96          HG11      ILE  96  18.709   3.944  -2.451
  813   HG21  ILE  96          HG21      ILE  96  15.636   3.831  -1.674
  814   HG22  ILE  96          HG22      ILE  96  16.976   4.292  -0.626
  815   HG23  ILE  96          HG23      ILE  96  15.924   2.954  -0.171
  816   HD11  ILE  96          HD11      ILE  96  19.628   1.857  -3.220
  817   HD12  ILE  96          HD12      ILE  96  19.228   2.878  -4.602
  818   HD13  ILE  96          HD13      ILE  96  18.175   1.531  -4.166
  819    H    ASN  97           HN       ASN  97  17.843   3.047   1.427
  820    HA   ASN  97           HA       ASN  97  19.878   5.055   1.183
  821    HB2  ASN  97           HB2      ASN  97  18.024   4.310   3.444
  822    HB3  ASN  97           HB1      ASN  97  19.211   5.599   3.574
  823   HD21  ASN  97          HD21      ASN  97  18.873   6.411   0.776
  824   HD22  ASN  97          HD22      ASN  97  17.356   7.234   0.707
  825    H    ARG  98           HN       ARG  98  19.654   1.918   2.633
  826    HA   ARG  98           HA       ARG  98  21.956   2.216   4.315
  827    HB2  ARG  98           HB2      ARG  98  20.075   0.614   4.731
  828    HB3  ARG  98           HB1      ARG  98  20.621  -0.321   3.350
  829    HG2  ARG  98           HG2      ARG  98  22.527   0.233   5.569
  830    HG3  ARG  98           HG1      ARG  98  21.286  -0.999   5.780
  831    HD2  ARG  98           HD2      ARG  98  23.328  -0.901   3.563
  832    HD3  ARG  98           HD1      ARG  98  23.380  -1.958   4.972
  833    HE   ARG  98           HE       ARG  98  21.038  -2.650   3.951
  834   HH11  ARG  98          HH11      ARG  98  24.112  -2.117   2.366
  835   HH12  ARG  98          HH12      ARG  98  23.796  -3.257   1.094
  836   HH21  ARG  98          HH21      ARG  98  20.613  -4.148   2.266
  837   HH22  ARG  98          HH22      ARG  98  21.805  -4.401   1.029
  838    H    LYS  99           HN       LYS  99  21.326   0.637   1.181
  839    HA   LYS  99           HA       LYS  99  23.955  -0.380   0.897
  840    HB2  LYS  99           HB2      LYS  99  23.332  -0.843  -1.434
  841    HB3  LYS  99           HB1      LYS  99  22.097  -1.376  -0.305
  842    HG2  LYS  99           HG2      LYS  99  20.841   0.715  -0.799
  843    HG3  LYS  99           HG1      LYS  99  22.032   1.077  -2.046
  844    HD2  LYS  99           HD2      LYS  99  20.605  -1.553  -2.049
  845    HD3  LYS  99           HD1      LYS  99  19.805  -0.120  -2.684
  846    HE2  LYS  99           HE2      LYS  99  20.838  -1.279  -4.504
  847    HE3  LYS  99           HE1      LYS  99  21.733   0.209  -4.216
  848    HZ1  LYS  99           HZ1      LYS  99  22.567  -2.433  -3.163
  849    HZ2  LYS  99           HZ2      LYS  99  23.467  -0.999  -3.172
  850    HZ3  LYS  99           HZ3      LYS  99  23.121  -1.790  -4.623
  851    H    SER 100           HN       SER 100  22.589   2.731   0.207
  852    HA   SER 100           HA       SER 100  24.729   3.526  -1.548
  853    HB2  SER 100           HB2      SER 100  23.658   5.843  -1.168
  854    HB3  SER 100           HB1      SER 100  22.704   4.623  -2.007
  855    HG   SER 100           HG       SER 100  21.384   4.466  -0.344
  856    H    ARG 101           HN       ARG 101  24.336   3.233   1.787
  857    HA   ARG 101           HA       ARG 101  26.500   5.127   2.355
  858    HB2  ARG 101           HB2      ARG 101  24.686   3.568   4.204
  859    HB3  ARG 101           HB1      ARG 101  25.996   4.607   4.749
  860    HG2  ARG 101           HG2      ARG 101  24.903   6.531   3.726
  861    HG3  ARG 101           HG1      ARG 101  23.590   5.492   3.169
  862    HD2  ARG 101           HD2      ARG 101  22.973   6.684   5.210
  863    HD3  ARG 101           HD1      ARG 101  23.032   4.943   5.476
  864    HE   ARG 101           HE       ARG 101  25.526   5.979   6.158
  865   HH11  ARG 101          HH11      ARG 101  22.217   6.269   7.245
  866   HH12  ARG 101          HH12      ARG 101  22.648   6.518   8.902
  867   HH21  ARG 101          HH21      ARG 101  26.103   6.324   8.336
  868   HH22  ARG 101          HH22      ARG 101  24.862   6.560   9.525
  869    H    ASP 102           HN       ASP 102  25.608   1.733   2.568
  870    HA   ASP 102           HA       ASP 102  28.378   0.986   2.266
  871    HB2  ASP 102           HB2      ASP 102  28.084   1.204   4.737
  872    HB3  ASP 102           HB1      ASP 102  26.829  -0.030   4.656
  873    H    ARG 103           HN       ARG 103  28.604  -0.996   1.293
  874    HA   ARG 103           HA       ARG 103  26.194  -1.948   0.008
  875    HB2  ARG 103           HB2      ARG 103  28.964  -3.075  -0.335
  876    HB3  ARG 103           HB1      ARG 103  27.624  -3.128  -1.469
  877    HG2  ARG 103           HG2      ARG 103  27.809  -0.717  -1.807
  878    HG3  ARG 103           HG1      ARG 103  29.154  -0.663  -0.665
  879    HD2  ARG 103           HD2      ARG 103  29.053  -2.044  -3.337
  880    HD3  ARG 103           HD1      ARG 103  30.082  -0.698  -2.855
  881    HE   ARG 103           HE       ARG 103  30.500  -3.031  -1.242
  882   HH11  ARG 103          HH11      ARG 103  31.357  -1.468  -4.261
  883   HH12  ARG 103          HH12      ARG 103  32.818  -2.379  -4.460
  884   HH21  ARG 103          HH21      ARG 103  32.411  -4.222  -1.500
  885   HH22  ARG 103          HH22      ARG 103  33.428  -3.949  -2.880
  886    H    GLY 104           HN       GLY 104  27.497  -2.636   2.908
  887    HA2  GLY 104           HA2      GLY 104  26.725  -4.404   4.295
  888    HA3  GLY 104           HA1      GLY 104  26.480  -5.389   2.858
  889    H    ASP 105           HN       ASP 105  29.349  -3.793   2.561
  890    HA   ASP 105           HA       ASP 105  30.840  -6.215   3.103
  891    HB2  ASP 105           HB2      ASP 105  31.720  -3.555   1.958
  892    HB3  ASP 105           HB1      ASP 105  32.750  -4.974   2.107
  893    H    GLN 106           HN       GLN 106  30.355  -3.061   4.484
  894    HA   GLN 106           HA       GLN 106  32.460  -3.499   6.461
  895    HB2  GLN 106           HB2      GLN 106  32.274  -1.258   5.541
  896    HB3  GLN 106           HB1      GLN 106  30.582  -1.176   6.001
  897    HG2  GLN 106           HG2      GLN 106  31.240  -1.283   8.364
  898    HG3  GLN 106           HG1      GLN 106  32.934  -1.306   7.873
  899   HE21  GLN 106          HE21      GLN 106  30.528   0.577   6.198
  900   HE22  GLN 106          HE22      GLN 106  31.097   2.127   6.711
  901    H    GLU 107           HN       GLU 107  28.960  -2.812   6.401
  902    HA   GLU 107           HA       GLU 107  28.662  -3.664   9.152
  903    HB2  GLU 107           HB2      GLU 107  26.518  -3.039   7.117
  904    HB3  GLU 107           HB1      GLU 107  26.311  -3.146   8.857
  905    HG2  GLU 107           HG2      GLU 107  27.669  -1.182   9.185
  906    HG3  GLU 107           HG1      GLU 107  28.025  -1.103   7.460
  907    H    VAL 108           HN       VAL 108  28.886  -5.805   9.508
  908    HA   VAL 108           HA       VAL 108  28.106  -7.707   7.478
  909    HB   VAL 108           HB       VAL 108  30.208  -7.918   8.859
  910   HG11  VAL 108          HG11      VAL 108  28.272  -8.789  10.998
  911   HG12  VAL 108          HG12      VAL 108  29.284  -7.345  11.030
  912   HG13  VAL 108          HG13      VAL 108  30.028  -8.943  11.072
  913   HG21  VAL 108          HG21      VAL 108  28.319 -10.267   8.869
  914   HG22  VAL 108          HG22      VAL 108  30.069 -10.357   9.057
  915   HG23  VAL 108          HG23      VAL 108  29.373  -9.780   7.543
  916    H    PHE 109           HN       PHE 109  26.356  -6.078   9.546
  917    HA   PHE 109           HA       PHE 109  24.508  -8.308  10.057
  918    HB2  PHE 109           HB2      PHE 109  24.969  -5.869  11.789
  919    HB3  PHE 109           HB1      PHE 109  23.692  -7.052  12.045
  920    HD1  PHE 109           HD1      PHE 109  26.713  -6.057  13.252
  921    HD2  PHE 109           HD2      PHE 109  24.755  -9.596  11.933
  922    HE1  PHE 109           HE1      PHE 109  28.252  -7.410  14.612
  923    HE2  PHE 109           HE2      PHE 109  26.286 -10.956  13.294
  924    HZ   PHE 109           HZ       PHE 109  28.039  -9.863  14.635
  925    H    VAL 110           HN       VAL 110  22.313  -7.902   9.749
  926    HA   VAL 110           HA       VAL 110  21.769  -5.672   7.942
  927    HB   VAL 110           HB       VAL 110  19.962  -7.994   8.640
  928   HG11  VAL 110          HG11      VAL 110  18.786  -7.386   6.580
  929   HG12  VAL 110          HG12      VAL 110  19.879  -6.019   6.360
  930   HG13  VAL 110          HG13      VAL 110  18.784  -6.061   7.742
  931   HG21  VAL 110          HG21      VAL 110  22.012  -8.827   7.632
  932   HG22  VAL 110          HG22      VAL 110  21.840  -7.685   6.301
  933   HG23  VAL 110          HG23      VAL 110  20.662  -8.980   6.507
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1   2.065  11.270  -9.667
    2    H2   MET   1           HT2      MET   1   2.894  12.410  -8.730
    3    H3   MET   1           HT3      MET   1   2.228  12.859 -10.218
    4    HA   MET   1           HA       MET   1   0.924  13.639  -8.331
    5    HB2  MET   1           HB2      MET   1  -0.122  13.225 -10.520
    6    HB3  MET   1           HB1      MET   1  -0.423  11.557 -10.060
    7    HG2  MET   1           HG2      MET   1  -1.909  12.306  -8.285
    8    HG3  MET   1           HG1      MET   1  -1.592  13.984  -8.721
    9    HE1  MET   1           HE1      MET   1  -2.054  10.940 -11.222
   10    HE2  MET   1           HE2      MET   1  -3.804  10.977 -11.438
   11    HE3  MET   1           HE3      MET   1  -3.118  10.578  -9.863
   12    H    ILE   2           HN       ILE   2   0.051  13.248  -6.357
   13    HA   ILE   2           HA       ILE   2   0.260  10.504  -5.336
   14    HB   ILE   2           HB       ILE   2  -0.094  11.612  -3.077
   15   HG12  ILE   2          HG12      ILE   2   0.497  14.124  -4.665
   16   HG13  ILE   2          HG11      ILE   2  -1.057  13.731  -3.937
   17   HG21  ILE   2          HG21      ILE   2   2.233  12.349  -2.915
   18   HG22  ILE   2          HG22      ILE   2   2.339  12.398  -4.675
   19   HG23  ILE   2          HG23      ILE   2   2.088  10.861  -3.850
   20   HD11  ILE   2          HD11      ILE   2   0.177  15.321  -2.586
   21   HD12  ILE   2          HD12      ILE   2   1.524  14.188  -2.459
   22   HD13  ILE   2          HD13      ILE   2  -0.031  13.797  -1.725
   23    H    ARG   3           HN       ARG   3  -1.603   9.442  -5.840
   24    HA   ARG   3           HA       ARG   3  -4.114  10.609  -4.960
   25    HB2  ARG   3           HB2      ARG   3  -3.316   9.627  -7.623
   26    HB3  ARG   3           HB1      ARG   3  -4.927   9.347  -7.087
   27    HG2  ARG   3           HG2      ARG   3  -3.676  12.056  -7.114
   28    HG3  ARG   3           HG1      ARG   3  -4.594  11.407  -8.476
   29    HD2  ARG   3           HD2      ARG   3  -5.602  11.899  -5.676
   30    HD3  ARG   3           HD1      ARG   3  -6.040  12.794  -7.131
   31    HE   ARG   3           HE       ARG   3  -6.692  10.187  -7.688
   32   HH11  ARG   3          HH11      ARG   3  -7.589  12.514  -5.235
   33   HH12  ARG   3          HH12      ARG   3  -9.152  11.812  -4.969
   34   HH21  ARG   3          HH21      ARG   3  -8.710   9.254  -7.345
   35   HH22  ARG   3          HH22      ARG   3  -9.800   9.945  -6.174
   36    H    PHE   4           HN       PHE   4  -5.821   9.054  -4.951
   37    HA   PHE   4           HA       PHE   4  -5.012   6.271  -4.608
   38    HB2  PHE   4           HB2      PHE   4  -6.538   6.053  -2.733
   39    HB3  PHE   4           HB1      PHE   4  -5.403   7.362  -2.441
   40    HD1  PHE   4           HD1      PHE   4  -6.159   9.731  -2.712
   41    HD2  PHE   4           HD2      PHE   4  -8.858   6.443  -2.670
   42    HE1  PHE   4           HE1      PHE   4  -8.010  11.257  -2.183
   43    HE2  PHE   4           HE2      PHE   4 -10.714   7.967  -2.146
   44    HZ   PHE   4           HZ       PHE   4 -10.289  10.378  -1.904
   45    H    GLU   5           HN       GLU   5  -5.949   5.070  -6.102
   46    HA   GLU   5           HA       GLU   5  -8.461   6.042  -7.294
   47    HB2  GLU   5           HB2      GLU   5  -6.218   4.497  -8.626
   48    HB3  GLU   5           HB1      GLU   5  -7.723   4.969  -9.401
   49    HG2  GLU   5           HG2      GLU   5  -5.741   6.924  -8.263
   50    HG3  GLU   5           HG1      GLU   5  -5.759   6.404  -9.945
   51    H    ILE   6           HN       ILE   6  -9.753   4.943  -6.008
   52    HA   ILE   6           HA       ILE   6  -9.337   2.064  -5.660
   53    HB   ILE   6           HB       ILE   6 -11.128   4.031  -4.237
   54   HG12  ILE   6          HG12      ILE   6  -8.630   2.702  -3.195
   55   HG13  ILE   6          HG11      ILE   6  -8.646   4.304  -3.924
   56   HG21  ILE   6          HG21      ILE   6 -11.543   2.263  -2.598
   57   HG22  ILE   6          HG22      ILE   6 -10.499   1.162  -3.490
   58   HG23  ILE   6          HG23      ILE   6 -12.019   1.696  -4.203
   59   HD11  ILE   6          HD11      ILE   6 -10.305   4.971  -2.172
   60   HD12  ILE   6          HD12      ILE   6  -8.684   4.596  -1.591
   61   HD13  ILE   6          HD13      ILE   6  -9.986   3.421  -1.389
   62    H    HIS   7           HN       HIS   7 -10.845   0.641  -6.219
   63    HA   HIS   7           HA       HIS   7 -13.500   1.566  -7.124
   64    HB2  HIS   7           HB2      HIS   7 -11.690  -0.498  -8.316
   65    HB3  HIS   7           HB1      HIS   7 -13.433  -0.713  -8.394
   66    HD1  HIS   7           HD1      HIS   7 -11.361  -0.119 -10.828
   67    HD2  HIS   7           HD2      HIS   7 -14.055   2.523  -9.089
   68    HE1  HIS   7           HE1      HIS   7 -11.800   1.641 -12.567
   69    HE2  HIS   7           HE2      HIS   7 -13.455   3.217 -11.505
   70    H    GLY   8           HN       GLY   8 -14.481   1.112  -5.100
   71    HA2  GLY   8           HA2      GLY   8 -13.720  -1.506  -4.147
   72    HA3  GLY   8           HA1      GLY   8 -14.409  -0.275  -3.100
   73    H    ASP   9           HN       ASP   9 -15.013  -2.947  -5.158
   74    HA   ASP   9           HA       ASP   9 -17.866  -2.499  -5.387
   75    HB2  ASP   9           HB2      ASP   9 -16.176  -4.881  -6.184
   76    HB3  ASP   9           HB1      ASP   9 -17.893  -4.705  -6.524
   77    H    ASN  10           HN       ASN  10 -18.180  -2.370  -3.079
   78    HA   ASN  10           HA       ASN  10 -18.609  -5.046  -1.926
   79    HB2  ASN  10           HB2      ASN  10 -16.922  -3.949  -0.585
   80    HB3  ASN  10           HB1      ASN  10 -17.881  -2.476  -0.497
   81   HD21  ASN  10          HD21      ASN  10 -17.853  -2.501   1.757
   82   HD22  ASN  10          HD22      ASN  10 -18.792  -3.626   2.675
   83    H    LEU  11           HN       LEU  11 -19.719  -2.000  -0.591
   84    HA   LEU  11           HA       LEU  11 -22.436  -2.544  -1.531
   85    HB2  LEU  11           HB2      LEU  11 -21.642  -2.059   1.345
   86    HB3  LEU  11           HB1      LEU  11 -23.293  -2.019   0.761
   87    HG   LEU  11           HG       LEU  11 -21.508  -4.451   0.634
   88   HD11  LEU  11          HD11      LEU  11 -22.001  -3.829   2.948
   89   HD12  LEU  11          HD12      LEU  11 -22.838  -5.310   2.485
   90   HD13  LEU  11          HD13      LEU  11 -23.723  -3.787   2.571
   91   HD21  LEU  11          HD21      LEU  11 -23.239  -4.430  -1.074
   92   HD22  LEU  11          HD22      LEU  11 -24.464  -4.088   0.148
   93   HD23  LEU  11          HD23      LEU  11 -23.610  -5.630   0.165
   94    H    THR  12           HN       THR  12 -21.576  -0.273   0.981
   95    HA   THR  12           HA       THR  12 -22.168   1.906  -0.888
   96    HB   THR  12           HB       THR  12 -22.406   3.197   1.371
   97    HG1  THR  12           HG1      THR  12 -23.307   1.526   2.935
   98   HG21  THR  12          HG21      THR  12 -24.428   1.133   0.498
   99   HG22  THR  12          HG22      THR  12 -24.263   2.764  -0.148
  100   HG23  THR  12          HG23      THR  12 -24.767   2.524   1.524
  101    H    ILE  13           HN       ILE  13 -20.080   2.110  -1.756
  102    HA   ILE  13           HA       ILE  13 -17.872   2.712   0.003
  103    HB   ILE  13           HB       ILE  13 -17.330   1.557  -2.033
  104   HG12  ILE  13          HG12      ILE  13 -16.366   4.421  -2.205
  105   HG13  ILE  13          HG11      ILE  13 -15.667   3.164  -1.191
  106   HG21  ILE  13          HG21      ILE  13 -19.168   2.224  -3.437
  107   HG22  ILE  13          HG22      ILE  13 -17.645   2.569  -4.257
  108   HG23  ILE  13          HG23      ILE  13 -18.559   3.877  -3.508
  109   HD11  ILE  13          HD11      ILE  13 -15.744   3.163  -4.199
  110   HD12  ILE  13          HD12      ILE  13 -15.034   1.909  -3.182
  111   HD13  ILE  13          HD13      ILE  13 -14.345   3.532  -3.191
  112    H    THR  14           HN       THR  14 -18.983   4.397   1.120
  113    HA   THR  14           HA       THR  14 -19.786   6.761  -0.302
  114    HB   THR  14           HB       THR  14 -20.280   7.621   2.014
  115    HG1  THR  14           HG1      THR  14 -20.320   5.622   3.518
  116   HG21  THR  14          HG21      THR  14 -21.473   4.955   1.252
  117   HG22  THR  14          HG22      THR  14 -21.999   6.532   0.665
  118   HG23  THR  14          HG23      THR  14 -22.189   6.117   2.369
  119    H    ASP  15           HN       ASP  15 -19.113   8.922   0.827
  120    HA   ASP  15           HA       ASP  15 -16.374   9.318   0.284
  121    HB2  ASP  15           HB2      ASP  15 -18.327  11.113   1.736
  122    HB3  ASP  15           HB1      ASP  15 -16.744  11.610   1.146
  123    H    ALA  16           HN       ALA  16 -18.090   8.437   3.112
  124    HA   ALA  16           HA       ALA  16 -16.416   9.005   5.225
  125    HB1  ALA  16           HB1      ALA  16 -18.587   7.797   5.334
  126    HB2  ALA  16           HB2      ALA  16 -17.309   7.012   6.264
  127    HB3  ALA  16           HB3      ALA  16 -17.770   6.368   4.680
  128    H    ILE  17           HN       ILE  17 -16.374   6.068   3.281
  129    HA   ILE  17           HA       ILE  17 -13.974   5.016   4.351
  130    HB   ILE  17           HB       ILE  17 -15.549   4.455   1.873
  131   HG12  ILE  17          HG12      ILE  17 -15.797   2.203   3.235
  132   HG13  ILE  17          HG11      ILE  17 -15.342   3.227   4.595
  133   HG21  ILE  17          HG21      ILE  17 -13.245   3.867   1.383
  134   HG22  ILE  17          HG22      ILE  17 -14.208   2.402   1.574
  135   HG23  ILE  17          HG23      ILE  17 -13.142   2.931   2.874
  136   HD11  ILE  17          HD11      ILE  17 -17.256   4.628   4.229
  137   HD12  ILE  17          HD12      ILE  17 -17.773   2.948   4.341
  138   HD13  ILE  17          HD13      ILE  17 -17.678   3.739   2.768
  139    H    ARG  18           HN       ARG  18 -14.815   6.793   1.433
  140    HA   ARG  18           HA       ARG  18 -12.398   6.671   0.139
  141    HB2  ARG  18           HB2      ARG  18 -14.326   9.008   0.232
  142    HB3  ARG  18           HB1      ARG  18 -13.021   8.838  -0.932
  143    HG2  ARG  18           HG2      ARG  18 -14.056   6.849  -1.847
  144    HG3  ARG  18           HG1      ARG  18 -15.341   6.942  -0.640
  145    HD2  ARG  18           HD2      ARG  18 -16.004   9.135  -1.555
  146    HD3  ARG  18           HD1      ARG  18 -14.750   8.985  -2.783
  147    HE   ARG  18           HE       ARG  18 -16.069   6.804  -3.311
  148   HH11  ARG  18          HH11      ARG  18 -17.421   9.928  -2.434
  149   HH12  ARG  18          HH12      ARG  18 -18.886   9.673  -3.330
  150   HH21  ARG  18          HH21      ARG  18 -17.996   6.478  -4.477
  151   HH22  ARG  18          HH22      ARG  18 -19.216   7.712  -4.484
  152    H    ASN  19           HN       ASN  19 -13.601   9.033   2.477
  153    HA   ASN  19           HA       ASN  19 -11.235  10.445   2.952
  154    HB2  ASN  19           HB2      ASN  19 -13.792  10.021   4.378
  155    HB3  ASN  19           HB1      ASN  19 -12.440  10.520   5.385
  156   HD21  ASN  19          HD21      ASN  19 -13.443  12.503   5.791
  157   HD22  ASN  19          HD22      ASN  19 -13.494  13.757   4.604
  158    H    TYR  20           HN       TYR  20 -12.588   7.645   4.699
  159    HA   TYR  20           HA       TYR  20 -10.716   7.147   6.613
  160    HB2  TYR  20           HB2      TYR  20 -12.802   5.776   6.027
  161    HB3  TYR  20           HB1      TYR  20 -11.816   4.969   4.820
  162    HD1  TYR  20           HD1      TYR  20 -13.210   4.439   7.845
  163    HD2  TYR  20           HD2      TYR  20  -9.364   4.264   6.035
  164    HE1  TYR  20           HE1      TYR  20 -12.495   2.794   9.529
  165    HE2  TYR  20           HE2      TYR  20  -8.642   2.625   7.712
  166    HH   TYR  20           HH       TYR  20 -10.758   0.972   9.714
  167    H    ILE  21           HN       ILE  21 -10.428   6.454   3.147
  168    HA   ILE  21           HA       ILE  21  -7.973   4.934   3.559
  169    HB   ILE  21           HB       ILE  21  -9.428   5.713   1.042
  170   HG12  ILE  21          HG12      ILE  21 -10.838   4.266   2.425
  171   HG13  ILE  21          HG11      ILE  21 -10.279   3.385   1.009
  172   HG21  ILE  21          HG21      ILE  21  -7.158   5.205   0.519
  173   HG22  ILE  21          HG22      ILE  21  -8.104   3.786   0.067
  174   HG23  ILE  21          HG23      ILE  21  -7.167   3.781   1.560
  175   HD11  ILE  21          HD11      ILE  21  -9.185   3.148   3.804
  176   HD12  ILE  21          HD12      ILE  21  -8.565   2.294   2.389
  177   HD13  ILE  21          HD13      ILE  21 -10.202   1.976   2.966
  178    H    GLU  22           HN       GLU  22  -9.259   7.951   2.582
  179    HA   GLU  22           HA       GLU  22  -7.066   8.884   1.164
  180    HB2  GLU  22           HB2      GLU  22  -9.304   9.930   1.030
  181    HB3  GLU  22           HB1      GLU  22  -9.112  10.501   2.680
  182    HG2  GLU  22           HG2      GLU  22  -7.226  11.888   1.978
  183    HG3  GLU  22           HG1      GLU  22  -7.429  11.320   0.322
  184    H    GLU  23           HN       GLU  23  -8.009   8.857   4.453
  185    HA   GLU  23           HA       GLU  23  -5.860  10.460   5.474
  186    HB2  GLU  23           HB2      GLU  23  -7.531   8.523   7.059
  187    HB3  GLU  23           HB1      GLU  23  -6.781  10.017   7.602
  188    HG2  GLU  23           HG2      GLU  23  -8.339  11.312   6.275
  189    HG3  GLU  23           HG1      GLU  23  -9.067   9.820   5.640
  190    H    LYS  24           HN       LYS  24  -6.671   6.981   5.416
  191    HA   LYS  24           HA       LYS  24  -4.382   6.027   6.696
  192    HB2  LYS  24           HB2      LYS  24  -6.262   4.581   6.164
  193    HB3  LYS  24           HB1      LYS  24  -5.980   4.791   4.442
  194    HG2  LYS  24           HG2      LYS  24  -3.904   3.586   4.583
  195    HG3  LYS  24           HG1      LYS  24  -4.045   3.480   6.338
  196    HD2  LYS  24           HD2      LYS  24  -6.161   2.354   4.528
  197    HD3  LYS  24           HD1      LYS  24  -4.716   1.429   4.933
  198    HE2  LYS  24           HE2      LYS  24  -6.511   2.642   7.021
  199    HE3  LYS  24           HE1      LYS  24  -6.768   1.024   6.373
  200    HZ1  LYS  24           HZ1      LYS  24  -4.165   1.815   7.536
  201    HZ2  LYS  24           HZ2      LYS  24  -4.785   0.252   7.303
  202    HZ3  LYS  24           HZ3      LYS  24  -5.427   1.250   8.508
  203    H    ILE  25           HN       ILE  25  -4.887   6.282   3.170
  204    HA   ILE  25           HA       ILE  25  -2.238   5.768   2.412
  205    HB   ILE  25           HB       ILE  25  -4.319   7.415   0.963
  206   HG12  ILE  25          HG12      ILE  25  -5.084   5.140   1.379
  207   HG13  ILE  25          HG11      ILE  25  -4.719   5.349  -0.329
  208   HG21  ILE  25          HG21      ILE  25  -1.786   6.163  -0.089
  209   HG22  ILE  25          HG22      ILE  25  -2.091   7.888   0.113
  210   HG23  ILE  25          HG23      ILE  25  -3.022   6.960  -1.064
  211   HD11  ILE  25          HD11      ILE  25  -3.044   3.932   1.724
  212   HD12  ILE  25          HD12      ILE  25  -2.536   4.243   0.064
  213   HD13  ILE  25          HD13      ILE  25  -3.931   3.211   0.383
  214    H    GLY  26           HN       GLY  26  -3.912   8.795   3.173
  215    HA2  GLY  26           HA2      GLY  26  -1.817  10.561   2.607
  216    HA3  GLY  26           HA1      GLY  26  -3.083  10.835   3.792
  217    H    LYS  27           HN       LYS  27  -2.321   8.441   5.387
  218    HA   LYS  27           HA       LYS  27  -0.357   9.863   6.945
  219    HB2  LYS  27           HB2      LYS  27  -2.310   7.738   7.446
  220    HB3  LYS  27           HB1      LYS  27  -0.798   7.550   8.319
  221    HG2  LYS  27           HG2      LYS  27  -2.502   8.748   9.619
  222    HG3  LYS  27           HG1      LYS  27  -1.067   9.728   9.327
  223    HD2  LYS  27           HD2      LYS  27  -2.231  10.868   7.490
  224    HD3  LYS  27           HD1      LYS  27  -3.667   9.892   7.804
  225    HE2  LYS  27           HE2      LYS  27  -2.387  11.785   9.771
  226    HE3  LYS  27           HE1      LYS  27  -3.805  12.150   8.791
  227    HZ1  LYS  27           HZ1      LYS  27  -3.645   9.945  10.772
  228    HZ2  LYS  27           HZ2      LYS  27  -5.013  10.408   9.895
  229    HZ3  LYS  27           HZ3      LYS  27  -4.363  11.447  11.060
  230    H    LEU  28           HN       LEU  28  -0.695   7.046   4.965
  231    HA   LEU  28           HA       LEU  28   1.885   5.998   5.443
  232    HB2  LEU  28           HB2      LEU  28   0.320   5.828   2.894
  233    HB3  LEU  28           HB1      LEU  28   1.549   4.707   3.473
  234    HG   LEU  28           HG       LEU  28  -1.035   5.283   4.878
  235   HD11  LEU  28          HD11      LEU  28  -1.324   4.107   2.679
  236   HD12  LEU  28          HD12      LEU  28  -1.821   3.135   4.063
  237   HD13  LEU  28          HD13      LEU  28  -0.275   2.821   3.272
  238   HD21  LEU  28          HD21      LEU  28  -0.454   3.270   6.176
  239   HD22  LEU  28          HD22      LEU  28   0.706   4.579   6.379
  240   HD23  LEU  28          HD23      LEU  28   1.100   3.206   5.348
  241    H    GLU  29           HN       GLU  29   0.578   8.301   3.156
  242    HA   GLU  29           HA       GLU  29   2.907   8.947   1.740
  243    HB2  GLU  29           HB2      GLU  29   0.699   9.609   0.982
  244    HB3  GLU  29           HB1      GLU  29   0.463  10.594   2.417
  245    HG2  GLU  29           HG2      GLU  29   2.816  11.522   1.211
  246    HG3  GLU  29           HG1      GLU  29   1.644  11.290  -0.088
  247    H    ARG  30           HN       ARG  30   1.635  10.051   4.827
  248    HA   ARG  30           HA       ARG  30   3.394  12.172   5.234
  249    HB2  ARG  30           HB2      ARG  30   1.956  10.477   7.140
  250    HB3  ARG  30           HB1      ARG  30   2.909  11.833   7.668
  251    HG2  ARG  30           HG2      ARG  30   0.538  11.963   5.813
  252    HG3  ARG  30           HG1      ARG  30   0.509  12.341   7.534
  253    HD2  ARG  30           HD2      ARG  30   0.663  14.406   6.383
  254    HD3  ARG  30           HD1      ARG  30   2.251  14.088   7.074
  255    HE   ARG  30           HE       ARG  30   1.737  13.375   4.274
  256   HH11  ARG  30          HH11      ARG  30   3.364  15.388   6.628
  257   HH12  ARG  30          HH12      ARG  30   4.509  16.011   5.486
  258   HH21  ARG  30          HH21      ARG  30   3.213  14.187   2.774
  259   HH22  ARG  30          HH22      ARG  30   4.427  15.327   3.279
  260    H    TYR  31           HN       TYR  31   4.087   8.844   5.285
  261    HA   TYR  31           HA       TYR  31   6.351   8.998   7.013
  262    HB2  TYR  31           HB2      TYR  31   5.575   7.043   4.850
  263    HB3  TYR  31           HB1      TYR  31   7.093   6.913   5.729
  264    HD1  TYR  31           HD1      TYR  31   6.551   7.364   8.440
  265    HD2  TYR  31           HD2      TYR  31   4.042   5.459   5.583
  266    HE1  TYR  31           HE1      TYR  31   5.459   6.114  10.246
  267    HE2  TYR  31           HE2      TYR  31   2.935   4.204   7.389
  268    HH   TYR  31           HH       TYR  31   3.556   3.432   9.748
  269    H    PHE  32           HN       PHE  32   5.686  10.172   3.909
  270    HA   PHE  32           HA       PHE  32   8.533  10.346   3.231
  271    HB2  PHE  32           HB2      PHE  32   6.389  10.904   1.265
  272    HB3  PHE  32           HB1      PHE  32   7.961  10.192   1.037
  273    HD1  PHE  32           HD1      PHE  32   8.053   7.843   2.658
  274    HD2  PHE  32           HD2      PHE  32   4.780   9.452   0.470
  275    HE1  PHE  32           HE1      PHE  32   7.067   5.598   2.485
  276    HE2  PHE  32           HE2      PHE  32   3.783   7.212   0.306
  277    HZ   PHE  32           HZ       PHE  32   4.928   5.282   1.314
  278    H    ASN  33           HN       ASN  33   9.242  12.367   2.357
  279    HA   ASN  33           HA       ASN  33   7.210  14.459   2.451
  280    HB2  ASN  33           HB2      ASN  33   8.960  16.124   3.020
  281    HB3  ASN  33           HB1      ASN  33   8.779  14.893   4.262
  282   HD21  ASN  33          HD21      ASN  33  10.846  16.264   1.875
  283   HD22  ASN  33          HD22      ASN  33  12.266  15.364   2.284
  284    H    ASP  34           HN       ASP  34   9.834  13.032   0.726
  285    HA   ASP  34           HA       ASP  34   9.809  14.990  -1.298
  286    HB2  ASP  34           HB2      ASP  34  11.432  12.504  -0.948
  287    HB3  ASP  34           HB1      ASP  34  11.547  13.510  -2.384
  288    H    VAL  35           HN       VAL  35   7.406  13.441  -0.894
  289    HA   VAL  35           HA       VAL  35   7.390  11.638  -3.189
  290    HB   VAL  35           HB       VAL  35   6.671  10.647  -1.095
  291   HG11  VAL  35          HG11      VAL  35   5.779  12.574   0.051
  292   HG12  VAL  35          HG12      VAL  35   4.556  11.306  -0.032
  293   HG13  VAL  35          HG13      VAL  35   4.462  12.691  -1.117
  294   HG21  VAL  35          HG21      VAL  35   5.731   9.776  -3.146
  295   HG22  VAL  35          HG22      VAL  35   4.427  10.960  -3.079
  296   HG23  VAL  35          HG23      VAL  35   4.538   9.700  -1.850
  297    HA   PRO  36           HA       PRO  36   4.643  14.583  -5.190
  298    HB2  PRO  36           HB2      PRO  36   5.800  14.529  -7.595
  299    HB3  PRO  36           HB1      PRO  36   6.507  15.450  -6.264
  300    HG2  PRO  36           HG2      PRO  36   7.398  12.906  -7.476
  301    HG3  PRO  36           HG1      PRO  36   8.341  14.139  -6.626
  302    HD2  PRO  36           HD2      PRO  36   7.306  11.673  -5.585
  303    HD3  PRO  36           HD1      PRO  36   8.235  12.917  -4.725
  304    H    ASN  37           HN       ASN  37   5.334  11.287  -5.510
  305    HA   ASN  37           HA       ASN  37   2.928  10.868  -7.085
  306    HB2  ASN  37           HB2      ASN  37   4.018   9.320  -8.639
  307    HB3  ASN  37           HB1      ASN  37   4.709  10.931  -8.765
  308   HD21  ASN  37          HD21      ASN  37   5.289   7.642  -8.124
  309   HD22  ASN  37          HD22      ASN  37   6.986   7.766  -7.823
  310    H    ALA  38           HN       ALA  38   1.730   9.428  -6.176
  311    HA   ALA  38           HA       ALA  38   2.651   6.933  -5.138
  312    HB1  ALA  38           HB1      ALA  38   3.288   8.373  -3.243
  313    HB2  ALA  38           HB2      ALA  38   1.969   7.288  -2.804
  314    HB3  ALA  38           HB3      ALA  38   1.637   8.983  -3.153
  315    H    VAL  39           HN       VAL  39   0.996   5.615  -5.747
  316    HA   VAL  39           HA       VAL  39  -1.696   6.746  -5.868
  317    HB   VAL  39           HB       VAL  39  -0.053   5.091  -7.712
  318   HG11  VAL  39          HG11      VAL  39  -1.874   4.001  -8.726
  319   HG12  VAL  39          HG12      VAL  39  -3.038   4.866  -7.719
  320   HG13  VAL  39          HG13      VAL  39  -1.950   3.673  -6.988
  321   HG21  VAL  39          HG21      VAL  39  -1.226   6.395  -9.407
  322   HG22  VAL  39          HG22      VAL  39  -0.450   7.422  -8.203
  323   HG23  VAL  39          HG23      VAL  39  -2.195   7.159  -8.146
  324    H    ALA  40           HN       ALA  40  -3.408   5.340  -5.245
  325    HA   ALA  40           HA       ALA  40  -2.670   2.608  -4.356
  326    HB1  ALA  40           HB1      ALA  40  -3.058   3.891  -2.336
  327    HB2  ALA  40           HB2      ALA  40  -4.429   2.807  -2.596
  328    HB3  ALA  40           HB3      ALA  40  -4.573   4.523  -2.978
  329    H    HIS  41           HN       HIS  41  -3.336   1.859  -6.366
  330    HA   HIS  41           HA       HIS  41  -6.097   2.201  -7.196
  331    HB2  HIS  41           HB2      HIS  41  -4.249   1.955  -8.859
  332    HB3  HIS  41           HB1      HIS  41  -3.959   0.331  -8.254
  333    HD1  HIS  41           HD1      HIS  41  -5.773  -1.486  -8.808
  334    HD2  HIS  41           HD2      HIS  41  -6.393   2.218 -10.591
  335    HE1  HIS  41           HE1      HIS  41  -7.480  -1.877 -10.607
  336    HE2  HIS  41           HE2      HIS  41  -7.961   0.406 -11.556
  337    H    VAL  42           HN       VAL  42  -7.510   1.231  -5.775
  338    HA   VAL  42           HA       VAL  42  -6.793  -1.488  -4.817
  339    HB   VAL  42           HB       VAL  42  -7.564   1.043  -3.441
  340   HG11  VAL  42          HG11      VAL  42  -9.445  -0.444  -3.052
  341   HG12  VAL  42          HG12      VAL  42  -8.521  -0.146  -1.577
  342   HG13  VAL  42          HG13      VAL  42  -8.340  -1.674  -2.445
  343   HG21  VAL  42          HG21      VAL  42  -5.921  -1.368  -2.798
  344   HG22  VAL  42          HG22      VAL  42  -6.071   0.038  -1.736
  345   HG23  VAL  42          HG23      VAL  42  -5.295   0.209  -3.326
  346    H    LYS  43           HN       LYS  43  -8.463  -2.838  -4.576
  347    HA   LYS  43           HA       LYS  43 -11.150  -1.989  -5.348
  348    HB2  LYS  43           HB2      LYS  43  -9.966  -2.269  -7.517
  349    HB3  LYS  43           HB1      LYS  43  -9.636  -3.937  -7.109
  350    HG2  LYS  43           HG2      LYS  43 -11.963  -4.491  -7.184
  351    HG3  LYS  43           HG1      LYS  43 -12.399  -2.790  -7.386
  352    HD2  LYS  43           HD2      LYS  43 -11.006  -2.813  -9.491
  353    HD3  LYS  43           HD1      LYS  43 -10.924  -4.564  -9.318
  354    HE2  LYS  43           HE2      LYS  43 -13.474  -2.972  -9.527
  355    HE3  LYS  43           HE1      LYS  43 -12.695  -3.801 -10.872
  356    HZ1  LYS  43           HZ1      LYS  43 -13.809  -5.063  -8.431
  357    HZ2  LYS  43           HZ2      LYS  43 -12.972  -5.893  -9.648
  358    HZ3  LYS  43           HZ3      LYS  43 -14.448  -5.146  -9.993
  359    H    VAL  44           HN       VAL  44 -12.350  -2.846  -4.024
  360    HA   VAL  44           HA       VAL  44 -11.837  -5.528  -2.962
  361    HB   VAL  44           HB       VAL  44 -12.251  -3.457  -1.451
  362   HG11  VAL  44          HG11      VAL  44 -14.574  -2.892  -1.081
  363   HG12  VAL  44          HG12      VAL  44 -15.045  -4.023  -2.358
  364   HG13  VAL  44          HG13      VAL  44 -14.087  -2.590  -2.756
  365   HG21  VAL  44          HG21      VAL  44 -13.438  -4.778   0.185
  366   HG22  VAL  44          HG22      VAL  44 -12.311  -5.816  -0.687
  367   HG23  VAL  44          HG23      VAL  44 -14.029  -5.863  -1.073
  368    H    LYS  45           HN       LYS  45 -13.737  -6.900  -2.779
  369    HA   LYS  45           HA       LYS  45 -15.938  -6.506  -4.616
  370    HB2  LYS  45           HB2      LYS  45 -13.786  -8.607  -5.080
  371    HB3  LYS  45           HB1      LYS  45 -15.335  -8.589  -5.910
  372    HG2  LYS  45           HG2      LYS  45 -14.764  -6.709  -7.168
  373    HG3  LYS  45           HG1      LYS  45 -13.453  -6.263  -6.075
  374    HD2  LYS  45           HD2      LYS  45 -13.483  -8.717  -7.835
  375    HD3  LYS  45           HD1      LYS  45 -12.652  -7.210  -8.219
  376    HE2  LYS  45           HE2      LYS  45 -11.337  -7.478  -6.116
  377    HE3  LYS  45           HE1      LYS  45 -12.092  -9.054  -5.897
  378    HZ1  LYS  45           HZ1      LYS  45 -11.152  -9.672  -8.105
  379    HZ2  LYS  45           HZ2      LYS  45  -9.994  -9.388  -6.910
  380    HZ3  LYS  45           HZ3      LYS  45 -10.279  -8.216  -8.097
  381    H    THR  46           HN       THR  46 -17.559  -7.250  -3.383
  382    HA   THR  46           HA       THR  46 -17.550  -9.972  -2.474
  383    HB   THR  46           HB       THR  46 -16.362  -9.035  -0.600
  384    HG1  THR  46           HG1      THR  46 -18.165  -9.355   1.041
  385   HG21  THR  46          HG21      THR  46 -17.449  -7.300   0.819
  386   HG22  THR  46          HG22      THR  46 -18.640  -7.072  -0.460
  387   HG23  THR  46          HG23      THR  46 -16.940  -6.719  -0.765
  388    H    TYR  47           HN       TYR  47 -19.616 -10.716  -1.979
  389    HA   TYR  47           HA       TYR  47 -21.709  -8.717  -1.571
  390    HB2  TYR  47           HB2      TYR  47 -21.785  -9.672  -3.957
  391    HB3  TYR  47           HB1      TYR  47 -22.229 -11.204  -3.209
  392    HD1  TYR  47           HD1      TYR  47 -24.487 -11.672  -2.893
  393    HD2  TYR  47           HD2      TYR  47 -23.253  -7.617  -3.245
  394    HE1  TYR  47           HE1      TYR  47 -26.839 -10.956  -2.838
  395    HE2  TYR  47           HE2      TYR  47 -25.598  -6.891  -3.191
  396    HH   TYR  47           HH       TYR  47 -27.803  -7.746  -3.605
  397    H    SER  48           HN       SER  48 -20.873  -9.390   0.548
  398    HA   SER  48           HA       SER  48 -22.491 -11.180   1.941
  399    HB2  SER  48           HB2      SER  48 -21.318 -12.958   0.736
  400    HB3  SER  48           HB1      SER  48 -19.761 -12.279   1.204
  401    HG   SER  48           HG       SER  48 -20.822 -14.122   2.471
  402    H    ASN  49           HN       ASN  49 -22.014 -11.156   4.166
  403    HA   ASN  49           HA       ASN  49 -20.335  -8.949   4.996
  404    HB2  ASN  49           HB2      ASN  49 -21.332  -9.193   7.156
  405    HB3  ASN  49           HB1      ASN  49 -22.619  -9.435   5.982
  406   HD21  ASN  49          HD21      ASN  49 -23.430 -11.539   5.660
  407   HD22  ASN  49          HD22      ASN  49 -23.195 -12.788   6.834
  408    H    SER  50           HN       SER  50 -19.798 -12.115   4.303
  409    HA   SER  50           HA       SER  50 -17.794 -12.469   6.389
  410    HB2  SER  50           HB2      SER  50 -18.865 -14.542   4.471
  411    HB3  SER  50           HB1      SER  50 -17.835 -14.843   5.871
  412    HG   SER  50           HG       SER  50 -19.584 -13.948   7.158
  413    H    ALA  51           HN       ALA  51 -17.789 -11.000   3.735
  414    HA   ALA  51           HA       ALA  51 -15.116 -11.866   2.926
  415    HB1  ALA  51           HB1      ALA  51 -17.515 -12.131   1.258
  416    HB2  ALA  51           HB2      ALA  51 -15.955 -12.956   1.146
  417    HB3  ALA  51           HB3      ALA  51 -16.147 -11.315   0.487
  418    H    THR  52           HN       THR  52 -13.840 -10.210   2.181
  419    HA   THR  52           HA       THR  52 -15.101  -8.354   0.611
  420    HB   THR  52           HB       THR  52 -13.134  -6.857   2.004
  421    HG1  THR  52           HG1      THR  52 -14.626  -8.557   3.375
  422   HG21  THR  52          HG21      THR  52 -16.139  -6.525   1.971
  423   HG22  THR  52          HG22      THR  52 -15.057  -5.896   0.733
  424   HG23  THR  52          HG23      THR  52 -14.962  -5.282   2.382
  425    H    LYS  53           HN       LYS  53 -14.029  -9.330  -1.182
  426    HA   LYS  53           HA       LYS  53 -11.256 -10.078  -0.892
  427    HB2  LYS  53           HB2      LYS  53 -12.798 -11.454  -2.223
  428    HB3  LYS  53           HB1      LYS  53 -13.064 -10.107  -3.319
  429    HG2  LYS  53           HG2      LYS  53 -10.626 -10.174  -3.863
  430    HG3  LYS  53           HG1      LYS  53 -10.522 -11.660  -2.919
  431    HD2  LYS  53           HD2      LYS  53 -12.282 -11.222  -5.328
  432    HD3  LYS  53           HD1      LYS  53 -10.766 -12.121  -5.313
  433    HE2  LYS  53           HE2      LYS  53 -11.725 -13.726  -3.749
  434    HE3  LYS  53           HE1      LYS  53 -13.233 -12.814  -3.724
  435    HZ1  LYS  53           HZ1      LYS  53 -12.059 -14.145  -6.100
  436    HZ2  LYS  53           HZ2      LYS  53 -13.503 -13.269  -6.076
  437    HZ3  LYS  53           HZ3      LYS  53 -13.376 -14.708  -5.204
  438    H    ILE  54           HN       ILE  54  -9.505  -8.960  -1.498
  439    HA   ILE  54           HA       ILE  54 -10.052  -6.344  -2.705
  440    HB   ILE  54           HB       ILE  54  -7.950  -5.623  -1.428
  441   HG12  ILE  54          HG12      ILE  54  -7.557  -8.073  -0.648
  442   HG13  ILE  54          HG11      ILE  54  -7.278  -6.756   0.480
  443   HG21  ILE  54          HG21      ILE  54 -10.562  -6.135  -0.089
  444   HG22  ILE  54          HG22      ILE  54 -10.133  -4.781  -1.155
  445   HG23  ILE  54          HG23      ILE  54  -9.351  -4.951   0.425
  446   HD11  ILE  54          HD11      ILE  54  -9.422  -7.193   1.536
  447   HD12  ILE  54          HD12      ILE  54  -8.413  -8.640   1.525
  448   HD13  ILE  54          HD13      ILE  54  -9.741  -8.482   0.376
  449    H    GLU  55           HN       GLU  55  -8.398  -5.301  -3.791
  450    HA   GLU  55           HA       GLU  55  -5.950  -6.709  -4.273
  451    HB2  GLU  55           HB2      GLU  55  -6.260  -5.954  -6.715
  452    HB3  GLU  55           HB1      GLU  55  -6.895  -7.505  -6.220
  453    HG2  GLU  55           HG2      GLU  55  -9.099  -6.638  -6.158
  454    HG3  GLU  55           HG1      GLU  55  -8.508  -4.990  -6.334
  455    H    VAL  56           HN       VAL  56  -4.667  -5.233  -3.561
  456    HA   VAL  56           HA       VAL  56  -5.206  -2.387  -4.061
  457    HB   VAL  56           HB       VAL  56  -4.517  -2.193  -1.865
  458   HG11  VAL  56          HG11      VAL  56  -3.367  -4.904  -2.095
  459   HG12  VAL  56          HG12      VAL  56  -5.019  -4.516  -1.626
  460   HG13  VAL  56          HG13      VAL  56  -3.673  -4.008  -0.612
  461   HG21  VAL  56          HG21      VAL  56  -2.377  -1.531  -3.068
  462   HG22  VAL  56          HG22      VAL  56  -1.787  -3.165  -2.787
  463   HG23  VAL  56          HG23      VAL  56  -2.128  -2.107  -1.427
  464    H    THR  57           HN       THR  57  -3.729  -1.217  -5.076
  465    HA   THR  57           HA       THR  57  -1.110  -2.372  -5.638
  466    HB   THR  57           HB       THR  57  -2.702  -1.173  -7.954
  467    HG1  THR  57           HG1      THR  57  -3.035  -3.584  -6.867
  468   HG21  THR  57          HG21      THR  57  -0.952  -2.227  -9.322
  469   HG22  THR  57          HG22      THR  57  -0.163  -2.804  -7.857
  470   HG23  THR  57          HG23      THR  57  -0.276  -1.073  -8.172
  471    H    ILE  58           HN       ILE  58   0.116  -0.841  -4.874
  472    HA   ILE  58           HA       ILE  58  -0.827   1.975  -4.930
  473    HB   ILE  58           HB       ILE  58   0.386   0.191  -2.820
  474   HG12  ILE  58          HG12      ILE  58  -1.944   2.106  -2.704
  475   HG13  ILE  58          HG11      ILE  58  -2.072   0.385  -3.039
  476   HG21  ILE  58          HG21      ILE  58   0.690   2.164  -1.343
  477   HG22  ILE  58          HG22      ILE  58   0.326   3.220  -2.708
  478   HG23  ILE  58          HG23      ILE  58   1.766   2.202  -2.740
  479   HD11  ILE  58          HD11      ILE  58  -1.048   1.634  -0.499
  480   HD12  ILE  58          HD12      ILE  58  -1.149  -0.097  -0.823
  481   HD13  ILE  58          HD13      ILE  58  -2.621   0.871  -0.730
  482    HA   PRO  59           HA       PRO  59   3.420   1.985  -6.944
  483    HB2  PRO  59           HB2      PRO  59   2.069   4.161  -8.442
  484    HB3  PRO  59           HB1      PRO  59   3.020   2.792  -9.049
  485    HG2  PRO  59           HG2      PRO  59   0.380   2.849  -9.346
  486    HG3  PRO  59           HG1      PRO  59   1.210   1.331  -8.939
  487    HD2  PRO  59           HD2      PRO  59  -0.250   3.227  -7.128
  488    HD3  PRO  59           HD1      PRO  59  -0.373   1.459  -7.217
  489    H    LEU  60           HN       LEU  60   4.398   2.897  -5.077
  490    HA   LEU  60           HA       LEU  60   4.190   5.768  -4.721
  491    HB2  LEU  60           HB2      LEU  60   5.976   3.717  -3.410
  492    HB3  LEU  60           HB1      LEU  60   5.685   5.340  -2.881
  493    HG   LEU  60           HG       LEU  60   3.623   3.161  -2.904
  494   HD11  LEU  60          HD11      LEU  60   3.842   3.228  -0.465
  495   HD12  LEU  60          HD12      LEU  60   5.177   4.370  -0.625
  496   HD13  LEU  60          HD13      LEU  60   5.339   2.730  -1.254
  497   HD21  LEU  60          HD21      LEU  60   2.625   5.353  -3.183
  498   HD22  LEU  60          HD22      LEU  60   3.527   5.960  -1.794
  499   HD23  LEU  60          HD23      LEU  60   2.287   4.726  -1.570
  500    H    LYS  61           HN       LYS  61   6.691   6.693  -4.432
  501    HA   LYS  61           HA       LYS  61   7.933   6.634  -6.952
  502    HB2  LYS  61           HB2      LYS  61   9.408   6.974  -4.374
  503    HB3  LYS  61           HB1      LYS  61   9.778   7.706  -5.929
  504    HG2  LYS  61           HG2      LYS  61   7.799   9.140  -5.734
  505    HG3  LYS  61           HG1      LYS  61   7.457   8.433  -4.153
  506    HD2  LYS  61           HD2      LYS  61   8.616  10.553  -3.895
  507    HD3  LYS  61           HD1      LYS  61   9.633   9.230  -3.336
  508    HE2  LYS  61           HE2      LYS  61  10.841   9.277  -5.466
  509    HE3  LYS  61           HE1      LYS  61   9.822  10.605  -6.016
  510    HZ1  LYS  61           HZ1      LYS  61  10.678  11.941  -4.169
  511    HZ2  LYS  61           HZ2      LYS  61  11.913  11.438  -5.210
  512    HZ3  LYS  61           HZ3      LYS  61  11.703  10.668  -3.719
  513    H    ASN  62           HN       ASN  62   8.831   5.211  -3.876
  514    HA   ASN  62           HA       ASN  62  11.143   4.102  -4.924
  515    HB2  ASN  62           HB2      ASN  62   9.871   3.727  -2.324
  516    HB3  ASN  62           HB1      ASN  62  11.444   3.083  -2.708
  517   HD21  ASN  62          HD21      ASN  62  12.935   4.771  -3.664
  518   HD22  ASN  62          HD22      ASN  62  12.975   6.301  -2.848
  519    H    VAL  63           HN       VAL  63   8.111   2.723  -3.828
  520    HA   VAL  63           HA       VAL  63   8.620   0.349  -5.423
  521    HB   VAL  63           HB       VAL  63   9.377  -0.074  -3.135
  522   HG11  VAL  63          HG11      VAL  63   6.518   0.397  -2.361
  523   HG12  VAL  63          HG12      VAL  63   7.913   1.368  -1.893
  524   HG13  VAL  63          HG13      VAL  63   7.754  -0.287  -1.306
  525   HG21  VAL  63          HG21      VAL  63   8.111  -2.174  -2.759
  526   HG22  VAL  63          HG22      VAL  63   8.651  -1.962  -4.423
  527   HG23  VAL  63          HG23      VAL  63   6.967  -1.654  -3.996
  528    H    THR  64           HN       THR  64   6.811  -0.773  -6.038
  529    HA   THR  64           HA       THR  64   4.234   0.624  -5.716
  530    HB   THR  64           HB       THR  64   5.216  -1.146  -7.972
  531    HG1  THR  64           HG1      THR  64   5.941   1.150  -7.776
  532   HG21  THR  64          HG21      THR  64   3.103  -0.551  -9.102
  533   HG22  THR  64          HG22      THR  64   2.558   0.250  -7.630
  534   HG23  THR  64          HG23      THR  64   2.834  -1.490  -7.635
  535    H    LEU  65           HN       LEU  65   3.212  -0.443  -4.053
  536    HA   LEU  65           HA       LEU  65   3.562  -3.307  -3.800
  537    HB2  LEU  65           HB2      LEU  65   1.969  -1.358  -2.128
  538    HB3  LEU  65           HB1      LEU  65   1.918  -3.089  -1.894
  539    HG   LEU  65           HG       LEU  65   4.549  -2.872  -1.769
  540   HD11  LEU  65          HD11      LEU  65   4.641  -0.465  -2.216
  541   HD12  LEU  65          HD12      LEU  65   5.324  -0.865  -0.629
  542   HD13  LEU  65          HD13      LEU  65   3.700  -0.164  -0.756
  543   HD21  LEU  65          HD21      LEU  65   3.049  -3.770  -0.063
  544   HD22  LEU  65          HD22      LEU  65   2.768  -2.134   0.534
  545   HD23  LEU  65          HD23      LEU  65   4.382  -2.843   0.622
  546    H    ARG  66           HN       ARG  66   1.772  -4.727  -3.533
  547    HA   ARG  66           HA       ARG  66  -0.843  -3.924  -4.380
  548    HB2  ARG  66           HB2      ARG  66  -0.096  -4.272  -6.572
  549    HB3  ARG  66           HB1      ARG  66   0.845  -5.629  -6.078
  550    HG2  ARG  66           HG2      ARG  66  -0.869  -7.106  -6.158
  551    HG3  ARG  66           HG1      ARG  66  -2.066  -5.861  -5.789
  552    HD2  ARG  66           HD2      ARG  66  -2.244  -6.677  -8.103
  553    HD3  ARG  66           HD1      ARG  66  -1.869  -4.956  -8.007
  554    HE   ARG  66           HE       ARG  66   0.500  -6.509  -8.240
  555   HH11  ARG  66          HH11      ARG  66  -2.205  -5.288 -10.104
  556   HH12  ARG  66          HH12      ARG  66  -1.314  -5.224 -11.591
  557   HH21  ARG  66          HH21      ARG  66   1.673  -6.423 -10.195
  558   HH22  ARG  66          HH22      ARG  66   0.892  -5.869 -11.643
  559    H    ALA  67           HN       ALA  67  -2.315  -5.328  -3.747
  560    HA   ALA  67           HA       ALA  67  -1.498  -7.918  -2.623
  561    HB1  ALA  67           HB1      ALA  67  -3.294  -6.325  -0.850
  562    HB2  ALA  67           HB2      ALA  67  -1.563  -6.034  -0.797
  563    HB3  ALA  67           HB3      ALA  67  -2.193  -7.642  -0.458
  564    H    GLU  68           HN       GLU  68  -2.716  -9.340  -3.536
  565    HA   GLU  68           HA       GLU  68  -5.530  -8.667  -4.102
  566    HB2  GLU  68           HB2      GLU  68  -5.305 -10.434  -5.934
  567    HB3  GLU  68           HB1      GLU  68  -4.462  -8.915  -6.202
  568    HG2  GLU  68           HG2      GLU  68  -2.363  -9.921  -5.559
  569    HG3  GLU  68           HG1      GLU  68  -3.179 -11.430  -5.157
  570    H    GLU  69           HN       GLU  69  -6.531  -9.528  -2.340
  571    HA   GLU  69           HA       GLU  69  -6.084 -12.368  -1.732
  572    HB2  GLU  69           HB2      GLU  69  -5.010 -10.242  -0.205
  573    HB3  GLU  69           HB1      GLU  69  -6.363 -10.880   0.718
  574    HG2  GLU  69           HG2      GLU  69  -4.403 -12.001   1.432
  575    HG3  GLU  69           HG1      GLU  69  -5.358 -13.145   0.492
  576    H    ARG  70           HN       ARG  70  -7.857 -13.374  -0.664
  577    HA   ARG  70           HA       ARG  70 -10.289 -11.725  -0.582
  578    HB2  ARG  70           HB2      ARG  70 -10.498 -13.686  -2.030
  579    HB3  ARG  70           HB1      ARG  70 -10.034 -14.736  -0.696
  580    HG2  ARG  70           HG2      ARG  70 -12.040 -13.968   0.544
  581    HG3  ARG  70           HG1      ARG  70 -12.521 -13.045  -0.877
  582    HD2  ARG  70           HD2      ARG  70 -12.770 -15.040  -2.169
  583    HD3  ARG  70           HD1      ARG  70 -12.062 -16.020  -0.888
  584    HE   ARG  70           HE       ARG  70 -14.720 -14.759  -0.832
  585   HH11  ARG  70          HH11      ARG  70 -12.387 -16.996   0.521
  586   HH12  ARG  70          HH12      ARG  70 -13.545 -17.784   1.543
  587   HH21  ARG  70          HH21      ARG  70 -16.248 -15.786   0.537
  588   HH22  ARG  70          HH22      ARG  70 -15.734 -17.094   1.555
  589    H    ASN  71           HN       ASN  71  -9.820 -10.805   1.426
  590    HA   ASN  71           HA       ASN  71  -9.863 -12.625   3.722
  591    HB2  ASN  71           HB2      ASN  71  -9.201  -9.694   3.452
  592    HB3  ASN  71           HB1      ASN  71  -9.457 -10.433   5.005
  593   HD21  ASN  71          HD21      ASN  71  -7.316  -9.159   4.407
  594   HD22  ASN  71          HD22      ASN  71  -6.036 -10.260   4.356
  595    H    ASP  72           HN       ASP  72 -11.305 -12.015   5.546
  596    HA   ASP  72           HA       ASP  72 -13.951 -11.444   4.541
  597    HB2  ASP  72           HB2      ASP  72 -14.709 -11.938   6.842
  598    HB3  ASP  72           HB1      ASP  72 -13.717 -13.228   6.176
  599    H    ASP  73           HN       ASP  73 -11.383  -9.712   5.880
  600    HA   ASP  73           HA       ASP  73 -13.077  -7.291   5.961
  601    HB2  ASP  73           HB2      ASP  73 -10.815  -8.154   7.739
  602    HB3  ASP  73           HB1      ASP  73 -11.063  -6.459   7.405
  603    H    LEU  74           HN       LEU  74 -12.877  -6.500   4.209
  604    HA   LEU  74           HA       LEU  74 -11.043  -5.868   2.458
  605    HB2  LEU  74           HB2      LEU  74 -13.150  -4.791   2.502
  606    HB3  LEU  74           HB1      LEU  74 -12.859  -4.277   4.165
  607    HG   LEU  74           HG       LEU  74 -11.436  -2.501   3.460
  608   HD11  LEU  74          HD11      LEU  74 -10.201  -3.552   1.724
  609   HD12  LEU  74          HD12      LEU  74 -10.949  -2.093   1.069
  610   HD13  LEU  74          HD13      LEU  74 -11.634  -3.680   0.707
  611   HD21  LEU  74          HD21      LEU  74 -12.938  -1.175   2.056
  612   HD22  LEU  74          HD22      LEU  74 -13.818  -2.046   3.311
  613   HD23  LEU  74          HD23      LEU  74 -13.841  -2.634   1.649
  614    H    TYR  75           HN       TYR  75 -11.309  -4.507   5.668
  615    HA   TYR  75           HA       TYR  75  -9.308  -2.627   5.155
  616    HB2  TYR  75           HB2      TYR  75 -10.852  -3.304   7.655
  617    HB3  TYR  75           HB1      TYR  75  -9.561  -2.109   7.646
  618    HD1  TYR  75           HD1      TYR  75 -12.675  -2.272   7.953
  619    HD2  TYR  75           HD2      TYR  75  -9.875  -0.870   5.155
  620    HE1  TYR  75           HE1      TYR  75 -14.244  -0.674   7.211
  621    HE2  TYR  75           HE2      TYR  75 -11.426   0.742   4.380
  622    HH   TYR  75           HH       TYR  75 -13.912   1.113   4.315
  623    H    ALA  76           HN       ALA  76  -9.452  -5.823   6.202
  624    HA   ALA  76           HA       ALA  76  -6.925  -5.939   7.597
  625    HB1  ALA  76           HB1      ALA  76  -7.369  -8.292   7.748
  626    HB2  ALA  76           HB2      ALA  76  -8.622  -8.167   6.508
  627    HB3  ALA  76           HB3      ALA  76  -8.875  -7.431   8.097
  628    H    GLY  77           HN       GLY  77  -8.311  -6.429   4.439
  629    HA2  GLY  77           HA2      GLY  77  -6.036  -7.734   3.299
  630    HA3  GLY  77           HA1      GLY  77  -7.380  -6.973   2.454
  631    H    ILE  78           HN       ILE  78  -7.302  -4.422   3.153
  632    HA   ILE  78           HA       ILE  78  -5.073  -3.353   1.907
  633    HB   ILE  78           HB       ILE  78  -7.493  -2.295   3.221
  634   HG12  ILE  78          HG12      ILE  78  -7.505  -0.849   1.226
  635   HG13  ILE  78          HG11      ILE  78  -5.909  -1.448   0.787
  636   HG21  ILE  78          HG21      ILE  78  -5.862  -1.037   4.507
  637   HG22  ILE  78          HG22      ILE  78  -6.694   0.014   3.361
  638   HG23  ILE  78          HG23      ILE  78  -5.055  -0.537   3.022
  639   HD11  ILE  78          HD11      ILE  78  -8.432  -3.076   0.938
  640   HD12  ILE  78          HD12      ILE  78  -6.835  -3.692   0.515
  641   HD13  ILE  78          HD13      ILE  78  -7.632  -2.515  -0.529
  642    H    ASP  79           HN       ASP  79  -5.809  -3.901   5.390
  643    HA   ASP  79           HA       ASP  79  -3.324  -2.698   6.331
  644    HB2  ASP  79           HB2      ASP  79  -5.427  -4.409   7.590
  645    HB3  ASP  79           HB1      ASP  79  -3.858  -4.237   8.369
  646    H    LEU  80           HN       LEU  80  -4.189  -5.839   5.092
  647    HA   LEU  80           HA       LEU  80  -1.718  -7.003   5.731
  648    HB2  LEU  80           HB2      LEU  80  -3.780  -8.055   4.537
  649    HB3  LEU  80           HB1      LEU  80  -3.094  -7.385   3.072
  650    HG   LEU  80           HG       LEU  80  -1.700  -9.384   4.861
  651   HD11  LEU  80          HD11      LEU  80  -3.122  -9.776   2.232
  652   HD12  LEU  80          HD12      LEU  80  -3.659 -10.363   3.805
  653   HD13  LEU  80          HD13      LEU  80  -2.180 -10.998   3.085
  654   HD21  LEU  80          HD21      LEU  80  -1.000  -8.351   2.114
  655   HD22  LEU  80          HD22      LEU  80  -0.162  -9.645   2.972
  656   HD23  LEU  80          HD23      LEU  80  -0.135  -8.001   3.610
  657    H    ILE  81           HN       ILE  81  -2.765  -5.244   2.787
  658    HA   ILE  81           HA       ILE  81  -0.130  -4.953   1.857
  659    HB   ILE  81           HB       ILE  81  -2.439  -4.611   0.642
  660   HG12  ILE  81          HG12      ILE  81  -1.168  -3.932  -1.202
  661   HG13  ILE  81          HG11      ILE  81  -0.194  -2.820  -0.253
  662   HG21  ILE  81          HG21      ILE  81  -1.622  -1.760   1.170
  663   HG22  ILE  81          HG22      ILE  81  -2.973  -2.568   1.960
  664   HG23  ILE  81          HG23      ILE  81  -2.995  -2.324   0.217
  665   HD11  ILE  81          HD11      ILE  81   1.178  -4.546   0.543
  666   HD12  ILE  81          HD12      ILE  81   0.943  -4.897  -1.169
  667   HD13  ILE  81          HD13      ILE  81   0.043  -5.798   0.049
  668    H    ASN  82           HN       ASN  82  -1.953  -2.861   4.021
  669    HA   ASN  82           HA       ASN  82  -0.264  -0.569   3.717
  670    HB2  ASN  82           HB2      ASN  82  -2.616  -0.442   4.504
  671    HB3  ASN  82           HB1      ASN  82  -2.173  -1.332   5.946
  672   HD21  ASN  82          HD21      ASN  82   0.366   0.214   6.282
  673   HD22  ASN  82          HD22      ASN  82  -0.144   1.752   6.882
  674    H    ASN  83           HN       ASN  83  -0.527  -3.211   5.994
  675    HA   ASN  83           HA       ASN  83   1.472  -2.117   7.737
  676    HB2  ASN  83           HB2      ASN  83   0.399  -3.492   9.150
  677    HB3  ASN  83           HB1      ASN  83  -0.646  -3.965   7.776
  678   HD21  ASN  83          HD21      ASN  83  -0.338  -5.940   6.850
  679   HD22  ASN  83          HD22      ASN  83   0.721  -7.157   7.478
  680    H    LYS  84           HN       LYS  84   1.212  -4.664   5.320
  681    HA   LYS  84           HA       LYS  84   3.967  -5.400   5.327
  682    HB2  LYS  84           HB2      LYS  84   2.105  -6.718   4.273
  683    HB3  LYS  84           HB1      LYS  84   2.030  -5.504   3.007
  684    HG2  LYS  84           HG2      LYS  84   4.350  -6.033   2.390
  685    HG3  LYS  84           HG1      LYS  84   4.368  -7.295   3.625
  686    HD2  LYS  84           HD2      LYS  84   2.451  -8.376   2.487
  687    HD3  LYS  84           HD1      LYS  84   2.554  -7.156   1.217
  688    HE2  LYS  84           HE2      LYS  84   3.675  -9.130   0.456
  689    HE3  LYS  84           HE1      LYS  84   4.891  -7.895   0.784
  690    HZ1  LYS  84           HZ1      LYS  84   4.177 -10.149   2.579
  691    HZ2  LYS  84           HZ2      LYS  84   5.328  -8.960   2.912
  692    HZ3  LYS  84           HZ3      LYS  84   5.576 -10.037   1.635
  693    H    LEU  85           HN       LEU  85   2.141  -2.782   3.958
  694    HA   LEU  85           HA       LEU  85   4.042  -1.788   2.134
  695    HB2  LEU  85           HB2      LEU  85   1.700  -1.024   2.158
  696    HB3  LEU  85           HB1      LEU  85   1.947  -0.297   3.728
  697    HG   LEU  85           HG       LEU  85   3.673   0.655   1.500
  698   HD11  LEU  85          HD11      LEU  85   1.469   0.536   0.462
  699   HD12  LEU  85          HD12      LEU  85   1.936   2.211   0.761
  700   HD13  LEU  85          HD13      LEU  85   0.772   1.417   1.822
  701   HD21  LEU  85          HD21      LEU  85   2.252   2.018   3.789
  702   HD22  LEU  85          HD22      LEU  85   3.367   2.791   2.663
  703   HD23  LEU  85          HD23      LEU  85   3.950   1.540   3.762
  704    H    GLU  86           HN       GLU  86   3.274  -0.775   5.447
  705    HA   GLU  86           HA       GLU  86   5.415   0.901   5.865
  706    HB2  GLU  86           HB2      GLU  86   3.492   0.324   7.447
  707    HB3  GLU  86           HB1      GLU  86   4.440  -1.075   7.927
  708    HG2  GLU  86           HG2      GLU  86   6.203   0.332   8.747
  709    HG3  GLU  86           HG1      GLU  86   5.390   1.771   8.133
  710    H    ARG  87           HN       ARG  87   5.247  -2.635   6.371
  711    HA   ARG  87           HA       ARG  87   7.909  -3.005   7.096
  712    HB2  ARG  87           HB2      ARG  87   6.306  -4.711   7.441
  713    HB3  ARG  87           HB1      ARG  87   6.102  -4.838   5.724
  714    HG2  ARG  87           HG2      ARG  87   8.320  -5.712   5.436
  715    HG3  ARG  87           HG1      ARG  87   8.656  -5.457   7.148
  716    HD2  ARG  87           HD2      ARG  87   6.993  -7.105   7.755
  717    HD3  ARG  87           HD1      ARG  87   6.533  -7.303   6.065
  718    HE   ARG  87           HE       ARG  87   9.207  -7.862   6.112
  719   HH11  ARG  87          HH11      ARG  87   6.393  -9.118   7.773
  720   HH12  ARG  87          HH12      ARG  87   7.059 -10.705   7.965
  721   HH21  ARG  87          HH21      ARG  87  10.086  -9.946   6.363
  722   HH22  ARG  87          HH22      ARG  87   9.168 -11.174   7.176
  723    H    GLN  88           HN       GLN  88   6.538  -2.750   3.874
  724    HA   GLN  88           HA       GLN  88   8.911  -3.936   2.651
  725    HB2  GLN  88           HB2      GLN  88   6.160  -3.378   1.848
  726    HB3  GLN  88           HB1      GLN  88   7.348  -3.170   0.587
  727    HG2  GLN  88           HG2      GLN  88   6.868  -5.666   2.209
  728    HG3  GLN  88           HG1      GLN  88   6.361  -5.401   0.542
  729   HE21  GLN  88          HE21      GLN  88   8.084  -7.451   1.689
  730   HE22  GLN  88          HE22      GLN  88   9.586  -7.347   0.838
  731    H    VAL  89           HN       VAL  89   6.905  -1.150   2.336
  732    HA   VAL  89           HA       VAL  89   8.383   0.548   0.883
  733    HB   VAL  89           HB       VAL  89   6.523   0.932   3.155
  734   HG11  VAL  89          HG11      VAL  89   6.602   3.387   2.844
  735   HG12  VAL  89          HG12      VAL  89   7.969   3.200   1.745
  736   HG13  VAL  89          HG13      VAL  89   8.138   2.763   3.445
  737   HG21  VAL  89          HG21      VAL  89   6.497   1.714   0.241
  738   HG22  VAL  89          HG22      VAL  89   5.199   2.043   1.389
  739   HG23  VAL  89          HG23      VAL  89   5.626   0.377   0.993
  740    H    ARG  90           HN       ARG  90   8.571   0.105   4.380
  741    HA   ARG  90           HA       ARG  90  10.809   1.850   4.702
  742    HB2  ARG  90           HB2      ARG  90   9.677  -0.270   6.498
  743    HB3  ARG  90           HB1      ARG  90  11.182   0.567   6.885
  744    HG2  ARG  90           HG2      ARG  90  10.003   2.703   6.866
  745    HG3  ARG  90           HG1      ARG  90   8.498   1.877   6.452
  746    HD2  ARG  90           HD2      ARG  90   8.547   0.664   8.543
  747    HD3  ARG  90           HD1      ARG  90  10.113   1.365   8.946
  748    HE   ARG  90           HE       ARG  90   8.506   3.530   8.596
  749   HH11  ARG  90          HH11      ARG  90   8.291   0.644  10.562
  750   HH12  ARG  90          HH12      ARG  90   7.409   1.421  11.834
  751   HH21  ARG  90          HH21      ARG  90   7.361   4.563  10.280
  752   HH22  ARG  90          HH22      ARG  90   6.872   3.649  11.671
  753    H    LYS  91           HN       LYS  91  10.567  -1.695   4.364
  754    HA   LYS  91           HA       LYS  91  13.245  -2.314   4.785
  755    HB2  LYS  91           HB2      LYS  91  12.635  -4.401   4.110
  756    HB3  LYS  91           HB1      LYS  91  11.022  -3.722   4.076
  757    HG2  LYS  91           HG2      LYS  91  11.106  -4.795   2.069
  758    HG3  LYS  91           HG1      LYS  91  11.562  -3.156   1.616
  759    HD2  LYS  91           HD2      LYS  91  13.947  -3.843   1.732
  760    HD3  LYS  91           HD1      LYS  91  13.418  -5.497   2.049
  761    HE2  LYS  91           HE2      LYS  91  12.807  -3.862  -0.411
  762    HE3  LYS  91           HE1      LYS  91  13.946  -5.202  -0.307
  763    HZ1  LYS  91           HZ1      LYS  91  12.093  -6.670   0.233
  764    HZ2  LYS  91           HZ2      LYS  91  11.860  -5.918  -1.261
  765    HZ3  LYS  91           HZ3      LYS  91  11.006  -5.380   0.094
  766    H    TYR  92           HN       TYR  92  11.572  -1.082   2.017
  767    HA   TYR  92           HA       TYR  92  13.790  -1.396   0.220
  768    HB2  TYR  92           HB2      TYR  92  11.300  -1.571  -0.311
  769    HB3  TYR  92           HB1      TYR  92  11.276   0.193  -0.251
  770    HD1  TYR  92           HD1      TYR  92  12.714   1.494  -1.850
  771    HD2  TYR  92           HD2      TYR  92  12.090  -2.694  -2.246
  772    HE1  TYR  92           HE1      TYR  92  13.468   1.610  -4.183
  773    HE2  TYR  92           HE2      TYR  92  12.845  -2.590  -4.583
  774    HH   TYR  92           HH       TYR  92  12.993  -0.871  -6.399
  775    H    LYS  93           HN       LYS  93  12.026   1.417   1.573
  776    HA   LYS  93           HA       LYS  93  13.751   3.308   0.377
  777    HB2  LYS  93           HB2      LYS  93  12.536   4.956   1.463
  778    HB3  LYS  93           HB1      LYS  93  11.370   3.653   1.352
  779    HG2  LYS  93           HG2      LYS  93  11.036   4.321   3.506
  780    HG3  LYS  93           HG1      LYS  93  12.270   3.084   3.762
  781    HD2  LYS  93           HD2      LYS  93  14.000   4.771   3.867
  782    HD3  LYS  93           HD1      LYS  93  12.838   6.036   3.470
  783    HE2  LYS  93           HE2      LYS  93  12.683   4.305   5.931
  784    HE3  LYS  93           HE1      LYS  93  13.431   5.900   5.888
  785    HZ1  LYS  93           HZ1      LYS  93  10.592   5.307   5.266
  786    HZ2  LYS  93           HZ2      LYS  93  11.309   6.837   5.221
  787    HZ3  LYS  93           HZ3      LYS  93  11.165   6.017   6.689
  788    H    THR  94           HN       THR  94  13.763   1.679   3.498
  789    HA   THR  94           HA       THR  94  15.950   3.186   4.515
  790    HB   THR  94           HB       THR  94  14.670   0.598   5.423
  791    HG1  THR  94           HG1      THR  94  13.717   1.890   6.887
  792   HG21  THR  94          HG21      THR  94  17.057   0.526   6.029
  793   HG22  THR  94          HG22      THR  94  16.042   0.754   7.452
  794   HG23  THR  94          HG23      THR  94  16.918   2.122   6.767
  795    H    ARG  95           HN       ARG  95  15.675  -0.016   2.915
  796    HA   ARG  95           HA       ARG  95  18.372  -0.703   2.938
  797    HB2  ARG  95           HB2      ARG  95  16.785  -2.278   2.088
  798    HB3  ARG  95           HB1      ARG  95  16.260  -1.167   0.833
  799    HG2  ARG  95           HG2      ARG  95  18.459  -1.350  -0.238
  800    HG3  ARG  95           HG1      ARG  95  18.960  -2.491   1.011
  801    HD2  ARG  95           HD2      ARG  95  16.626  -2.898  -0.852
  802    HD3  ARG  95           HD1      ARG  95  18.234  -3.579  -1.098
  803    HE   ARG  95           HE       ARG  95  17.365  -4.322   1.449
  804   HH11  ARG  95          HH11      ARG  95  16.460  -4.884  -1.885
  805   HH12  ARG  95          HH12      ARG  95  15.879  -6.491  -1.586
  806   HH21  ARG  95          HH21      ARG  95  16.587  -6.421   1.851
  807   HH22  ARG  95          HH22      ARG  95  15.943  -7.366   0.545
  808    H    ILE  96           HN       ILE  96  16.631   1.177   0.435
  809    HA   ILE  96           HA       ILE  96  18.999   1.596  -1.078
  810    HB   ILE  96           HB       ILE  96  16.706   1.654  -2.056
  811   HG12  ILE  96          HG12      ILE  96  17.162   3.557  -3.597
  812   HG13  ILE  96          HG11      ILE  96  18.454   4.078  -2.521
  813   HG21  ILE  96          HG21      ILE  96  15.589   2.977  -0.347
  814   HG22  ILE  96          HG22      ILE  96  15.404   3.715  -1.938
  815   HG23  ILE  96          HG23      ILE  96  16.560   4.382  -0.786
  816   HD11  ILE  96          HD11      ILE  96  19.282   2.829  -4.456
  817   HD12  ILE  96          HD12      ILE  96  18.344   1.427  -3.942
  818   HD13  ILE  96          HD13      ILE  96  19.663   2.026  -2.935
  819    H    ASN  97           HN       ASN  97  17.396   3.473   1.439
  820    HA   ASN  97           HA       ASN  97  18.884   5.855   1.102
  821    HB2  ASN  97           HB2      ASN  97  16.802   5.650   2.483
  822    HB3  ASN  97           HB1      ASN  97  17.737   4.765   3.682
  823   HD21  ASN  97          HD21      ASN  97  18.811   7.554   1.812
  824   HD22  ASN  97          HD22      ASN  97  18.982   8.612   3.167
  825    H    ARG  98           HN       ARG  98  19.355   3.004   3.154
  826    HA   ARG  98           HA       ARG  98  21.752   3.876   4.373
  827    HB2  ARG  98           HB2      ARG  98  20.585   1.133   3.928
  828    HB3  ARG  98           HB1      ARG  98  22.089   1.389   4.796
  829    HG2  ARG  98           HG2      ARG  98  19.566   2.771   5.625
  830    HG3  ARG  98           HG1      ARG  98  19.929   1.126   6.145
  831    HD2  ARG  98           HD2      ARG  98  20.673   2.598   7.859
  832    HD3  ARG  98           HD1      ARG  98  22.102   1.980   7.039
  833    HE   ARG  98           HE       ARG  98  20.983   4.672   6.574
  834   HH11  ARG  98          HH11      ARG  98  23.696   2.486   6.843
  835   HH12  ARG  98          HH12      ARG  98  24.894   3.737   6.697
  836   HH21  ARG  98          HH21      ARG  98  22.541   6.336   6.429
  837   HH22  ARG  98          HH22      ARG  98  24.230   5.938   6.488
  838    H    LYS  99           HN       LYS  99  21.089   2.354   1.305
  839    HA   LYS  99           HA       LYS  99  23.916   1.845   0.835
  840    HB2  LYS  99           HB2      LYS  99  21.456   1.305  -0.826
  841    HB3  LYS  99           HB1      LYS  99  23.092   0.949  -1.365
  842    HG2  LYS  99           HG2      LYS  99  21.842  -0.193   1.124
  843    HG3  LYS  99           HG1      LYS  99  21.882  -1.007  -0.439
  844    HD2  LYS  99           HD2      LYS  99  24.317  -0.975  -0.413
  845    HD3  LYS  99           HD1      LYS  99  24.300  -0.114   1.126
  846    HE2  LYS  99           HE2      LYS  99  23.160  -2.864   0.656
  847    HE3  LYS  99           HE1      LYS  99  24.729  -2.527   1.386
  848    HZ1  LYS  99           HZ1      LYS  99  23.151  -2.932   3.107
  849    HZ2  LYS  99           HZ2      LYS  99  22.065  -1.801   2.477
  850    HZ3  LYS  99           HZ3      LYS  99  23.533  -1.287   3.143
  851    H    SER 100           HN       SER 100  22.067   4.528   0.691
  852    HA   SER 100           HA       SER 100  23.209   5.474  -1.839
  853    HB2  SER 100           HB2      SER 100  20.748   5.665  -1.546
  854    HB3  SER 100           HB1      SER 100  21.021   6.741  -0.176
  855    HG   SER 100           HG       SER 100  21.063   7.284  -2.830
  856    H    ARG 101           HN       ARG 101  22.776   6.554   1.545
  857    HA   ARG 101           HA       ARG 101  24.835   8.584   0.997
  858    HB2  ARG 101           HB2      ARG 101  23.809  10.022   2.635
  859    HB3  ARG 101           HB1      ARG 101  22.610   9.528   1.451
  860    HG2  ARG 101           HG2      ARG 101  21.684   7.923   3.014
  861    HG3  ARG 101           HG1      ARG 101  22.931   8.331   4.197
  862    HD2  ARG 101           HD2      ARG 101  22.095  10.656   4.222
  863    HD3  ARG 101           HD1      ARG 101  20.811  10.184   3.112
  864    HE   ARG 101           HE       ARG 101  20.832   8.557   5.451
  865   HH11  ARG 101          HH11      ARG 101  19.877  11.713   4.262
  866   HH12  ARG 101          HH12      ARG 101  18.599  11.901   5.419
  867   HH21  ARG 101          HH21      ARG 101  19.151   8.811   6.984
  868   HH22  ARG 101          HH22      ARG 101  18.186  10.252   6.965
  869    H    ASP 102           HN       ASP 102  24.959   5.716   2.193
  870    HA   ASP 102           HA       ASP 102  25.556   5.913   4.925
  871    HB2  ASP 102           HB2      ASP 102  25.159   3.754   3.846
  872    HB3  ASP 102           HB1      ASP 102  26.658   3.926   2.938
  873    H    ARG 103           HN       ARG 103  26.930   7.329   5.664
  874    HA   ARG 103           HA       ARG 103  29.710   7.233   4.693
  875    HB2  ARG 103           HB2      ARG 103  28.179   9.530   5.938
  876    HB3  ARG 103           HB1      ARG 103  29.909   9.553   5.622
  877    HG2  ARG 103           HG2      ARG 103  29.626   9.678   3.339
  878    HG3  ARG 103           HG1      ARG 103  28.008   8.980   3.395
  879    HD2  ARG 103           HD2      ARG 103  27.937  11.360   2.859
  880    HD3  ARG 103           HD1      ARG 103  27.142  11.017   4.392
  881    HE   ARG 103           HE       ARG 103  29.867  11.765   4.761
  882   HH11  ARG 103          HH11      ARG 103  26.675  13.035   4.130
  883   HH12  ARG 103          HH12      ARG 103  27.010  14.590   4.819
  884   HH21  ARG 103          HH21      ARG 103  30.318  13.820   5.677
  885   HH22  ARG 103          HH22      ARG 103  29.086  15.040   5.684
  886    H    GLY 104           HN       GLY 104  27.992   5.787   6.757
  887    HA2  GLY 104           HA2      GLY 104  28.852   4.705   8.709
  888    HA3  GLY 104           HA1      GLY 104  29.795   6.152   9.048
  889    H    ASP 105           HN       ASP 105  27.657   4.558  10.566
  890    HA   ASP 105           HA       ASP 105  25.579   6.541  10.924
  891    HB2  ASP 105           HB2      ASP 105  24.607   5.046  12.519
  892    HB3  ASP 105           HB1      ASP 105  25.172   4.066  11.174
  893    H    GLN 106           HN       GLN 106  28.658   5.842  12.174
  894    HA   GLN 106           HA       GLN 106  28.280   7.762  14.369
  895    HB2  GLN 106           HB2      GLN 106  29.149   5.515  14.991
  896    HB3  GLN 106           HB1      GLN 106  30.528   5.783  13.938
  897    HG2  GLN 106           HG2      GLN 106  31.152   7.732  15.322
  898    HG3  GLN 106           HG1      GLN 106  29.825   7.338  16.413
  899   HE21  GLN 106          HE21      GLN 106  30.229   4.456  16.063
  900   HE22  GLN 106          HE22      GLN 106  31.638   4.060  16.983
  901    H    GLU 107           HN       GLU 107  30.423   6.827  11.714
  902    HA   GLU 107           HA       GLU 107  32.043   9.165  11.815
  903    HB2  GLU 107           HB2      GLU 107  31.566   7.258   9.515
  904    HB3  GLU 107           HB1      GLU 107  32.870   8.432   9.622
  905    HG2  GLU 107           HG2      GLU 107  33.810   7.258  11.519
  906    HG3  GLU 107           HG1      GLU 107  32.475   6.107  11.491
  907    H    VAL 108           HN       VAL 108  31.971  11.008  10.511
  908    HA   VAL 108           HA       VAL 108  29.415  11.430   9.096
  909    HB   VAL 108           HB       VAL 108  31.002  13.668  10.335
  910   HG11  VAL 108          HG11      VAL 108  29.289  14.269   8.702
  911   HG12  VAL 108          HG12      VAL 108  28.850  14.826  10.315
  912   HG13  VAL 108          HG13      VAL 108  28.079  13.393   9.638
  913   HG21  VAL 108          HG21      VAL 108  29.547  13.549  12.307
  914   HG22  VAL 108          HG22      VAL 108  30.549  12.109  12.141
  915   HG23  VAL 108          HG23      VAL 108  28.847  12.053  11.690
  916    H    PHE 109           HN       PHE 109  32.017  10.458   8.062
  917    HA   PHE 109           HA       PHE 109  32.365  12.459   5.980
  918    HB2  PHE 109           HB2      PHE 109  34.824  12.422   6.180
  919    HB3  PHE 109           HB1      PHE 109  34.054  13.099   7.608
  920    HD1  PHE 109           HD1      PHE 109  33.932  11.747   9.691
  921    HD2  PHE 109           HD2      PHE 109  36.173  10.487   6.302
  922    HE1  PHE 109           HE1      PHE 109  35.180  10.171  11.107
  923    HE2  PHE 109           HE2      PHE 109  37.423   8.907   7.712
  924    HZ   PHE 109           HZ       PHE 109  36.927   8.749  10.117
  925    H    VAL 110           HN       VAL 110  33.791  11.643   4.221
  926    HA   VAL 110           HA       VAL 110  33.713   8.717   4.005
  927    HB   VAL 110           HB       VAL 110  31.861   9.597   2.676
  928   HG11  VAL 110          HG11      VAL 110  32.669  11.838   2.238
  929   HG12  VAL 110          HG12      VAL 110  32.264  11.031   0.724
  930   HG13  VAL 110          HG13      VAL 110  33.951  11.200   1.210
  931   HG21  VAL 110          HG21      VAL 110  32.459   8.613   0.502
  932   HG22  VAL 110          HG22      VAL 110  32.989   7.617   1.857
  933   HG23  VAL 110          HG23      VAL 110  34.155   8.613   0.984
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1   2.564  13.026  -7.878
    2    H2   MET   1           HT2      MET   1   2.279  13.833  -9.335
    3    H3   MET   1           HT3      MET   1   1.844  12.206  -9.172
    4    HA   MET   1           HA       MET   1   0.676  14.422  -7.602
    5    HB2  MET   1           HB2      MET   1  -0.482  12.878  -9.936
    6    HB3  MET   1           HB1      MET   1  -1.342  14.072  -8.977
    7    HG2  MET   1           HG2      MET   1   1.114  14.660 -10.613
    8    HG3  MET   1           HG1      MET   1  -0.537  14.904 -11.173
    9    HE1  MET   1           HE1      MET   1  -1.836  17.764  -8.904
   10    HE2  MET   1           HE2      MET   1  -2.082  16.029  -8.707
   11    HE3  MET   1           HE3      MET   1  -2.148  16.751 -10.315
   12    H    ILE   2           HN       ILE   2  -0.402  13.731  -5.839
   13    HA   ILE   2           HA       ILE   2  -0.535  10.925  -5.238
   14    HB   ILE   2           HB       ILE   2  -0.181  12.374  -3.374
   15   HG12  ILE   2          HG12      ILE   2  -3.018  11.329  -3.315
   16   HG13  ILE   2          HG11      ILE   2  -1.567  10.427  -2.893
   17   HG21  ILE   2          HG21      ILE   2  -1.879  14.061  -2.670
   18   HG22  ILE   2          HG22      ILE   2  -2.686  13.814  -4.220
   19   HG23  ILE   2          HG23      ILE   2  -1.042  14.449  -4.172
   20   HD11  ILE   2          HD11      ILE   2  -1.191  11.911  -1.000
   21   HD12  ILE   2          HD12      ILE   2  -2.779  11.148  -0.916
   22   HD13  ILE   2          HD13      ILE   2  -2.635  12.829  -1.428
   23    H    ARG   3           HN       ARG   3  -2.041   9.622  -6.095
   24    HA   ARG   3           HA       ARG   3  -4.687  10.694  -6.620
   25    HB2  ARG   3           HB2      ARG   3  -2.823   9.124  -8.339
   26    HB3  ARG   3           HB1      ARG   3  -4.527   9.100  -8.598
   27    HG2  ARG   3           HG2      ARG   3  -2.761  11.518  -8.697
   28    HG3  ARG   3           HG1      ARG   3  -3.460  10.687 -10.085
   29    HD2  ARG   3           HD2      ARG   3  -5.705  11.254  -9.279
   30    HD3  ARG   3           HD1      ARG   3  -4.992  12.098  -7.907
   31    HE   ARG   3           HE       ARG   3  -4.399  12.937 -10.663
   32   HH11  ARG   3          HH11      ARG   3  -5.600  13.647  -7.445
   33   HH12  ARG   3          HH12      ARG   3  -5.777  15.344  -7.749
   34   HH21  ARG   3          HH21      ARG   3  -4.629  15.180 -11.055
   35   HH22  ARG   3          HH22      ARG   3  -5.245  16.211  -9.802
   36    H    PHE   4           HN       PHE   4  -6.254   8.943  -7.000
   37    HA   PHE   4           HA       PHE   4  -5.653   6.450  -5.549
   38    HB2  PHE   4           HB2      PHE   4  -8.215   8.066  -5.354
   39    HB3  PHE   4           HB1      PHE   4  -7.937   6.501  -4.603
   40    HD1  PHE   4           HD1      PHE   4  -7.056  10.070  -4.515
   41    HD2  PHE   4           HD2      PHE   4  -6.730   6.303  -2.572
   42    HE1  PHE   4           HE1      PHE   4  -6.225  11.193  -2.492
   43    HE2  PHE   4           HE2      PHE   4  -5.899   7.417  -0.549
   44    HZ   PHE   4           HZ       PHE   4  -5.643   9.866  -0.504
   45    H    GLU   5           HN       GLU   5  -6.091   4.716  -6.823
   46    HA   GLU   5           HA       GLU   5  -8.149   5.048  -8.891
   47    HB2  GLU   5           HB2      GLU   5  -5.675   3.320  -9.112
   48    HB3  GLU   5           HB1      GLU   5  -6.875   3.600 -10.352
   49    HG2  GLU   5           HG2      GLU   5  -6.180   5.920 -10.535
   50    HG3  GLU   5           HG1      GLU   5  -4.997   5.668  -9.249
   51    H    ILE   6           HN       ILE   6  -9.547   4.289  -7.340
   52    HA   ILE   6           HA       ILE   6  -9.152   1.545  -6.441
   53    HB   ILE   6           HB       ILE   6 -11.188   3.669  -5.804
   54   HG12  ILE   6          HG12      ILE   6  -9.117   2.432  -3.989
   55   HG13  ILE   6          HG11      ILE   6  -8.840   3.906  -4.911
   56   HG21  ILE   6          HG21      ILE   6 -12.152   2.162  -4.147
   57   HG22  ILE   6          HG22      ILE   6 -10.933   0.939  -4.490
   58   HG23  ILE   6          HG23      ILE   6 -12.151   1.323  -5.704
   59   HD11  ILE   6          HD11      ILE   6  -9.446   4.442  -2.646
   60   HD12  ILE   6          HD12      ILE   6 -10.924   3.489  -2.783
   61   HD13  ILE   6          HD13      ILE   6 -10.727   4.956  -3.744
   62    H    HIS   7           HN       HIS   7 -10.131  -0.030  -7.418
   63    HA   HIS   7           HA       HIS   7 -12.595   0.462  -8.970
   64    HB2  HIS   7           HB2      HIS   7 -10.455  -1.624  -9.187
   65    HB3  HIS   7           HB1      HIS   7 -12.095  -1.966  -9.719
   66    HD1  HIS   7           HD1      HIS   7 -12.844  -0.916 -11.940
   67    HD2  HIS   7           HD2      HIS   7  -9.058   0.306 -10.735
   68    HE1  HIS   7           HE1      HIS   7 -11.859   0.285 -13.918
   69    HE2  HIS   7           HE2      HIS   7  -9.561   1.003 -13.175
   70    H    GLY   8           HN       GLY   8 -14.013   0.355  -7.190
   71    HA2  GLY   8           HA2      GLY   8 -13.573  -2.051  -5.643
   72    HA3  GLY   8           HA1      GLY   8 -14.331  -0.617  -4.972
   73    H    ASP   9           HN       ASP   9 -14.938  -3.676  -5.944
   74    HA   ASP   9           HA       ASP   9 -17.613  -3.169  -7.003
   75    HB2  ASP   9           HB2      ASP   9 -16.366  -4.936  -8.104
   76    HB3  ASP   9           HB1      ASP   9 -16.079  -5.741  -6.565
   77    H    ASN  10           HN       ASN  10 -18.683  -2.334  -5.267
   78    HA   ASN  10           HA       ASN  10 -19.167  -4.212  -3.049
   79    HB2  ASN  10           HB2      ASN  10 -19.178  -1.186  -2.887
   80    HB3  ASN  10           HB1      ASN  10 -19.562  -2.283  -1.571
   81   HD21  ASN  10          HD21      ASN  10 -17.351  -4.100  -2.522
   82   HD22  ASN  10          HD22      ASN  10 -15.918  -3.357  -1.908
   83    H    LEU  11           HN       LEU  11 -21.341  -3.450  -1.895
   84    HA   LEU  11           HA       LEU  11 -23.473  -3.575  -3.736
   85    HB2  LEU  11           HB2      LEU  11 -23.644  -4.214  -1.345
   86    HB3  LEU  11           HB1      LEU  11 -23.482  -2.528  -0.898
   87    HG   LEU  11           HG       LEU  11 -25.605  -2.052  -2.119
   88   HD11  LEU  11          HD11      LEU  11 -27.056  -3.934  -2.697
   89   HD12  LEU  11          HD12      LEU  11 -25.752  -5.057  -2.310
   90   HD13  LEU  11          HD13      LEU  11 -25.577  -3.933  -3.658
   91   HD21  LEU  11          HD21      LEU  11 -25.770  -4.120   0.071
   92   HD22  LEU  11          HD22      LEU  11 -27.057  -3.014  -0.408
   93   HD23  LEU  11          HD23      LEU  11 -25.570  -2.383   0.299
   94    H    THR  12           HN       THR  12 -21.823  -0.944  -2.130
   95    HA   THR  12           HA       THR  12 -22.458   0.843  -4.269
   96    HB   THR  12           HB       THR  12 -24.494   1.113  -2.914
   97    HG1  THR  12           HG1      THR  12 -24.457   3.202  -3.257
   98   HG21  THR  12          HG21      THR  12 -24.367   2.117  -0.669
   99   HG22  THR  12          HG22      THR  12 -22.612   1.944  -0.706
  100   HG23  THR  12          HG23      THR  12 -23.640   0.512  -0.724
  101    H    ILE  13           HN       ILE  13 -20.810   2.267  -4.520
  102    HA   ILE  13           HA       ILE  13 -18.673   2.188  -2.534
  103    HB   ILE  13           HB       ILE  13 -17.426   3.561  -4.310
  104   HG12  ILE  13          HG12      ILE  13 -19.727   2.544  -5.996
  105   HG13  ILE  13          HG11      ILE  13 -19.396   4.231  -5.623
  106   HG21  ILE  13          HG21      ILE  13 -18.274   0.728  -4.887
  107   HG22  ILE  13          HG22      ILE  13 -16.946   1.237  -3.845
  108   HG23  ILE  13          HG23      ILE  13 -16.868   1.532  -5.581
  109   HD11  ILE  13          HD11      ILE  13 -18.676   3.646  -7.869
  110   HD12  ILE  13          HD12      ILE  13 -17.614   2.400  -7.211
  111   HD13  ILE  13          HD13      ILE  13 -17.304   4.100  -6.857
  112    H    THR  14           HN       THR  14 -18.713   3.625  -0.969
  113    HA   THR  14           HA       THR  14 -20.090   6.175  -1.459
  114    HB   THR  14           HB       THR  14 -20.356   6.218   1.047
  115    HG1  THR  14           HG1      THR  14 -20.218   3.843   1.818
  116   HG21  THR  14          HG21      THR  14 -21.599   3.904  -0.439
  117   HG22  THR  14          HG22      THR  14 -22.203   5.562  -0.399
  118   HG23  THR  14          HG23      THR  14 -22.200   4.587   1.071
  119    H    ASP  15           HN       ASP  15 -19.349   7.900   0.213
  120    HA   ASP  15           HA       ASP  15 -16.638   8.528  -0.290
  121    HB2  ASP  15           HB2      ASP  15 -18.565   9.688   1.735
  122    HB3  ASP  15           HB1      ASP  15 -16.991  10.375   1.348
  123    H    ALA  16           HN       ALA  16 -18.248   6.770   2.180
  124    HA   ALA  16           HA       ALA  16 -16.635   6.861   4.384
  125    HB1  ALA  16           HB1      ALA  16 -17.778   4.343   3.184
  126    HB2  ALA  16           HB2      ALA  16 -18.708   5.513   4.132
  127    HB3  ALA  16           HB3      ALA  16 -17.384   4.621   4.884
  128    H    ILE  17           HN       ILE  17 -16.321   4.392   1.869
  129    HA   ILE  17           HA       ILE  17 -13.838   3.405   2.772
  130    HB   ILE  17           HB       ILE  17 -15.328   3.151   0.193
  131   HG12  ILE  17          HG12      ILE  17 -15.290   0.679   1.078
  132   HG13  ILE  17          HG11      ILE  17 -14.862   1.438   2.612
  133   HG21  ILE  17          HG21      ILE  17 -12.974   2.985  -0.380
  134   HG22  ILE  17          HG22      ILE  17 -13.730   1.394  -0.487
  135   HG23  ILE  17          HG23      ILE  17 -12.721   1.799   0.902
  136   HD11  ILE  17          HD11      ILE  17 -17.257   0.970   2.431
  137   HD12  ILE  17          HD12      ILE  17 -17.350   2.018   1.014
  138   HD13  ILE  17          HD13      ILE  17 -16.929   2.695   2.587
  139    H    ARG  18           HN       ARG  18 -14.760   5.661   0.232
  140    HA   ARG  18           HA       ARG  18 -12.271   5.838  -0.947
  141    HB2  ARG  18           HB2      ARG  18 -14.539   7.817  -0.815
  142    HB3  ARG  18           HB1      ARG  18 -13.078   8.126  -1.747
  143    HG2  ARG  18           HG2      ARG  18 -13.492   6.125  -3.075
  144    HG3  ARG  18           HG1      ARG  18 -14.945   5.794  -2.133
  145    HD2  ARG  18           HD2      ARG  18 -15.997   7.789  -2.942
  146    HD3  ARG  18           HD1      ARG  18 -14.509   8.310  -3.732
  147    HE   ARG  18           HE       ARG  18 -15.046   5.882  -4.847
  148   HH11  ARG  18          HH11      ARG  18 -16.870   8.842  -4.493
  149   HH12  ARG  18          HH12      ARG  18 -17.734   8.642  -5.984
  150   HH21  ARG  18          HH21      ARG  18 -16.161   5.614  -6.813
  151   HH22  ARG  18          HH22      ARG  18 -17.326   6.800  -7.306
  152    H    ASN  19           HN       ASN  19 -13.787   7.835   1.549
  153    HA   ASN  19           HA       ASN  19 -11.551   9.395   2.216
  154    HB2  ASN  19           HB2      ASN  19 -13.895   9.817   3.016
  155    HB3  ASN  19           HB1      ASN  19 -13.715   8.451   4.111
  156   HD21  ASN  19          HD21      ASN  19 -13.911   9.660   5.969
  157   HD22  ASN  19          HD22      ASN  19 -12.699  10.776   6.493
  158    H    TYR  20           HN       TYR  20 -12.710   6.279   3.461
  159    HA   TYR  20           HA       TYR  20 -10.942   5.755   5.497
  160    HB2  TYR  20           HB2      TYR  20 -12.897   4.408   4.121
  161    HB3  TYR  20           HB1      TYR  20 -11.479   3.497   3.668
  162    HD1  TYR  20           HD1      TYR  20 -12.899   4.952   6.811
  163    HD2  TYR  20           HD2      TYR  20 -11.181   1.559   4.910
  164    HE1  TYR  20           HE1      TYR  20 -13.252   3.646   8.853
  165    HE2  TYR  20           HE2      TYR  20 -11.523   0.242   6.961
  166    HH   TYR  20           HH       TYR  20 -13.522   1.316   9.501
  167    H    ILE  21           HN       ILE  21 -10.455   5.480   2.006
  168    HA   ILE  21           HA       ILE  21  -7.921   4.079   2.256
  169    HB   ILE  21           HB       ILE  21  -9.394   5.211  -0.118
  170   HG12  ILE  21          HG12      ILE  21 -10.610   3.350   0.906
  171   HG13  ILE  21          HG11      ILE  21  -9.960   2.866  -0.656
  172   HG21  ILE  21          HG21      ILE  21  -7.020   5.090  -0.581
  173   HG22  ILE  21          HG22      ILE  21  -7.859   3.834  -1.491
  174   HG23  ILE  21          HG23      ILE  21  -6.965   3.416  -0.030
  175   HD11  ILE  21          HD11      ILE  21  -8.841   2.160   2.047
  176   HD12  ILE  21          HD12      ILE  21  -8.107   1.730   0.504
  177   HD13  ILE  21          HD13      ILE  21  -9.691   1.084   0.937
  178    H    GLU  22           HN       GLU  22  -9.380   7.127   1.807
  179    HA   GLU  22           HA       GLU  22  -7.168   8.448   0.758
  180    HB2  GLU  22           HB2      GLU  22  -9.504   9.289   0.611
  181    HB3  GLU  22           HB1      GLU  22  -9.439   9.640   2.331
  182    HG2  GLU  22           HG2      GLU  22  -7.600  11.216   1.910
  183    HG3  GLU  22           HG1      GLU  22  -7.758  10.903   0.182
  184    H    GLU  23           HN       GLU  23  -8.353   7.729   3.891
  185    HA   GLU  23           HA       GLU  23  -6.449   9.218   5.404
  186    HB2  GLU  23           HB2      GLU  23  -7.976   6.791   6.339
  187    HB3  GLU  23           HB1      GLU  23  -7.393   8.142   7.303
  188    HG2  GLU  23           HG2      GLU  23  -8.979   9.624   6.193
  189    HG3  GLU  23           HG1      GLU  23  -9.561   8.262   5.208
  190    H    LYS  24           HN       LYS  24  -6.766   5.808   4.357
  191    HA   LYS  24           HA       LYS  24  -4.407   4.822   5.456
  192    HB2  LYS  24           HB2      LYS  24  -5.848   4.174   2.917
  193    HB3  LYS  24           HB1      LYS  24  -4.237   3.516   3.162
  194    HG2  LYS  24           HG2      LYS  24  -5.284   1.832   4.173
  195    HG3  LYS  24           HG1      LYS  24  -5.443   2.938   5.537
  196    HD2  LYS  24           HD2      LYS  24  -7.577   3.650   4.027
  197    HD3  LYS  24           HD1      LYS  24  -7.471   1.923   3.678
  198    HE2  LYS  24           HE2      LYS  24  -8.919   2.278   5.568
  199    HE3  LYS  24           HE1      LYS  24  -7.440   1.482   6.106
  200    HZ1  LYS  24           HZ1      LYS  24  -8.049   3.253   7.617
  201    HZ2  LYS  24           HZ2      LYS  24  -8.057   4.377   6.352
  202    HZ3  LYS  24           HZ3      LYS  24  -6.606   3.651   6.826
  203    H    ILE  25           HN       ILE  25  -4.709   6.183   2.174
  204    HA   ILE  25           HA       ILE  25  -1.967   6.388   1.681
  205    HB   ILE  25           HB       ILE  25  -4.302   7.905   0.544
  206   HG12  ILE  25          HG12      ILE  25  -4.045   5.474   0.039
  207   HG13  ILE  25          HG11      ILE  25  -3.956   6.498  -1.390
  208   HG21  ILE  25          HG21      ILE  25  -2.808   8.753  -1.205
  209   HG22  ILE  25          HG22      ILE  25  -1.426   8.078  -0.344
  210   HG23  ILE  25          HG23      ILE  25  -2.371   9.374   0.386
  211   HD11  ILE  25          HD11      ILE  25  -1.598   5.315   0.060
  212   HD12  ILE  25          HD12      ILE  25  -1.537   6.295  -1.402
  213   HD13  ILE  25          HD13      ILE  25  -2.299   4.708  -1.437
  214    H    GLY  26           HN       GLY  26  -4.147   8.579   3.358
  215    HA2  GLY  26           HA2      GLY  26  -2.389  10.762   3.602
  216    HA3  GLY  26           HA1      GLY  26  -3.689  10.370   4.719
  217    H    LYS  27           HN       LYS  27  -2.687   7.768   5.503
  218    HA   LYS  27           HA       LYS  27  -0.884   8.757   7.520
  219    HB2  LYS  27           HB2      LYS  27  -2.410   6.278   7.094
  220    HB3  LYS  27           HB1      LYS  27  -0.966   6.151   8.074
  221    HG2  LYS  27           HG2      LYS  27  -2.869   6.461   9.503
  222    HG3  LYS  27           HG1      LYS  27  -1.872   7.913   9.558
  223    HD2  LYS  27           HD2      LYS  27  -3.388   9.052   8.052
  224    HD3  LYS  27           HD1      LYS  27  -4.345   7.583   7.860
  225    HE2  LYS  27           HE2      LYS  27  -5.478   9.022   9.402
  226    HE3  LYS  27           HE1      LYS  27  -4.827   7.654  10.300
  227    HZ1  LYS  27           HZ1      LYS  27  -4.452   9.716  11.474
  228    HZ2  LYS  27           HZ2      LYS  27  -3.629  10.367  10.152
  229    HZ3  LYS  27           HZ3      LYS  27  -2.973   9.054  10.994
  230    H    LEU  28           HN       LEU  28  -0.860   6.812   4.680
  231    HA   LEU  28           HA       LEU  28   1.785   5.837   4.933
  232    HB2  LEU  28           HB2      LEU  28   0.209   6.258   2.412
  233    HB3  LEU  28           HB1      LEU  28   1.539   5.134   2.659
  234    HG   LEU  28           HG       LEU  28  -1.056   5.035   4.164
  235   HD11  LEU  28          HD11      LEU  28  -1.557   4.543   1.856
  236   HD12  LEU  28          HD12      LEU  28  -1.526   3.017   2.734
  237   HD13  LEU  28          HD13      LEU  28  -0.159   3.479   1.720
  238   HD21  LEU  28          HD21      LEU  28   1.303   3.177   3.985
  239   HD22  LEU  28          HD22      LEU  28  -0.260   2.694   4.640
  240   HD23  LEU  28          HD23      LEU  28   0.654   3.990   5.408
  241    H    GLU  29           HN       GLU  29   0.307   8.567   3.278
  242    HA   GLU  29           HA       GLU  29   2.556   9.712   2.100
  243    HB2  GLU  29           HB2      GLU  29   0.254  10.465   1.659
  244    HB3  GLU  29           HB1      GLU  29   0.138  11.086   3.298
  245    HG2  GLU  29           HG2      GLU  29   2.104  12.577   2.712
  246    HG3  GLU  29           HG1      GLU  29   1.821  12.106   1.037
  247    H    ARG  30           HN       ARG  30   1.168  10.135   5.343
  248    HA   ARG  30           HA       ARG  30   2.991  12.114   6.131
  249    HB2  ARG  30           HB2      ARG  30   1.229  10.346   7.650
  250    HB3  ARG  30           HB1      ARG  30   2.278  11.472   8.472
  251    HG2  ARG  30           HG2      ARG  30   0.079  12.109   6.518
  252    HG3  ARG  30           HG1      ARG  30   0.087  12.434   8.252
  253    HD2  ARG  30           HD2      ARG  30   1.821  13.694   6.133
  254    HD3  ARG  30           HD1      ARG  30   0.578  14.475   7.108
  255    HE   ARG  30           HE       ARG  30   2.440  13.448   8.887
  256   HH11  ARG  30          HH11      ARG  30   2.381  15.787   6.285
  257   HH12  ARG  30          HH12      ARG  30   3.644  16.761   6.960
  258   HH21  ARG  30          HH21      ARG  30   4.116  14.721   9.778
  259   HH22  ARG  30          HH22      ARG  30   4.633  16.157   8.951
  260    H    TYR  31           HN       TYR  31   3.620   8.846   5.684
  261    HA   TYR  31           HA       TYR  31   5.696   8.603   7.633
  262    HB2  TYR  31           HB2      TYR  31   5.322   7.178   4.988
  263    HB3  TYR  31           HB1      TYR  31   6.564   6.773   6.162
  264    HD1  TYR  31           HD1      TYR  31   4.881   7.054   8.676
  265    HD2  TYR  31           HD2      TYR  31   4.101   5.169   4.944
  266    HE1  TYR  31           HE1      TYR  31   3.329   5.505   9.789
  267    HE2  TYR  31           HE2      TYR  31   2.546   3.619   6.048
  268    HH   TYR  31           HH       TYR  31   1.434   4.085   9.242
  269    H    PHE  32           HN       PHE  32   5.330  10.276   4.679
  270    HA   PHE  32           HA       PHE  32   8.213  10.744   4.465
  271    HB2  PHE  32           HB2      PHE  32   6.350  11.300   2.227
  272    HB3  PHE  32           HB1      PHE  32   7.998  10.736   2.204
  273    HD1  PHE  32           HD1      PHE  32   4.870   9.801   1.287
  274    HD2  PHE  32           HD2      PHE  32   8.202   8.275   3.445
  275    HE1  PHE  32           HE1      PHE  32   4.116   7.509   0.829
  276    HE2  PHE  32           HE2      PHE  32   7.454   5.980   2.988
  277    HZ   PHE  32           HZ       PHE  32   5.408   5.595   1.679
  278    H    ASN  33           HN       ASN  33   8.790  12.915   3.764
  279    HA   ASN  33           HA       ASN  33   6.544  14.790   3.791
  280    HB2  ASN  33           HB2      ASN  33   7.942  16.542   4.679
  281    HB3  ASN  33           HB1      ASN  33   8.136  15.136   5.716
  282   HD21  ASN  33          HD21      ASN  33   9.901  17.402   5.360
  283   HD22  ASN  33          HD22      ASN  33  11.418  16.763   4.833
  284    H    ASP  34           HN       ASP  34   8.415  13.203   1.818
  285    HA   ASP  34           HA       ASP  34   8.870  15.344   0.018
  286    HB2  ASP  34           HB2      ASP  34  10.837  14.196  -0.841
  287    HB3  ASP  34           HB1      ASP  34  10.979  14.424   0.898
  288    H    VAL  35           HN       VAL  35   6.530  13.659   0.256
  289    HA   VAL  35           HA       VAL  35   6.718  11.960  -2.107
  290    HB   VAL  35           HB       VAL  35   5.857  10.866  -0.155
  291   HG11  VAL  35          HG11      VAL  35   3.754  11.503   0.905
  292   HG12  VAL  35          HG12      VAL  35   3.679  12.936  -0.117
  293   HG13  VAL  35          HG13      VAL  35   4.978  12.764   1.063
  294   HG21  VAL  35          HG21      VAL  35   3.730  10.010  -1.019
  295   HG22  VAL  35          HG22      VAL  35   4.938  10.161  -2.295
  296   HG23  VAL  35          HG23      VAL  35   3.654  11.360  -2.151
  297    HA   PRO  36           HA       PRO  36   4.066  14.919  -4.222
  298    HB2  PRO  36           HB2      PRO  36   5.405  14.872  -6.564
  299    HB3  PRO  36           HB1      PRO  36   5.930  15.858  -5.199
  300    HG2  PRO  36           HG2      PRO  36   7.151  13.445  -6.323
  301    HG3  PRO  36           HG1      PRO  36   7.855  14.658  -5.244
  302    HD2  PRO  36           HD2      PRO  36   6.738  12.057  -4.585
  303    HD3  PRO  36           HD1      PRO  36   7.623  13.185  -3.539
  304    H    ASN  37           HN       ASN  37   4.807  11.648  -4.543
  305    HA   ASN  37           HA       ASN  37   2.576  11.222  -6.389
  306    HB2  ASN  37           HB2      ASN  37   4.580  11.123  -7.776
  307    HB3  ASN  37           HB1      ASN  37   5.315   9.968  -6.672
  308   HD21  ASN  37          HD21      ASN  37   5.564   8.398  -8.207
  309   HD22  ASN  37          HD22      ASN  37   4.232   7.522  -8.875
  310    H    ALA  38           HN       ALA  38   1.191   9.930  -5.443
  311    HA   ALA  38           HA       ALA  38   1.995   7.406  -4.331
  312    HB1  ALA  38           HB1      ALA  38   2.321   8.843  -2.362
  313    HB2  ALA  38           HB2      ALA  38   0.949   7.758  -2.129
  314    HB3  ALA  38           HB3      ALA  38   0.672   9.452  -2.533
  315    H    VAL  39           HN       VAL  39   0.504   6.054  -5.184
  316    HA   VAL  39           HA       VAL  39  -2.208   7.059  -5.632
  317    HB   VAL  39           HB       VAL  39  -0.291   5.488  -7.279
  318   HG11  VAL  39          HG11      VAL  39  -1.918   4.247  -8.434
  319   HG12  VAL  39          HG12      VAL  39  -3.239   5.065  -7.598
  320   HG13  VAL  39          HG13      VAL  39  -2.179   3.960  -6.705
  321   HG21  VAL  39          HG21      VAL  39  -2.560   7.305  -8.041
  322   HG22  VAL  39          HG22      VAL  39  -1.269   6.716  -9.091
  323   HG23  VAL  39          HG23      VAL  39  -0.897   7.826  -7.773
  324    H    ALA  40           HN       ALA  40  -3.931   5.557  -5.167
  325    HA   ALA  40           HA       ALA  40  -3.029   2.922  -4.120
  326    HB1  ALA  40           HB1      ALA  40  -5.477   4.472  -3.232
  327    HB2  ALA  40           HB2      ALA  40  -3.977   4.338  -2.318
  328    HB3  ALA  40           HB3      ALA  40  -4.950   2.903  -2.626
  329    H    HIS  41           HN       HIS  41  -3.208   2.007  -6.139
  330    HA   HIS  41           HA       HIS  41  -5.769   1.944  -7.491
  331    HB2  HIS  41           HB2      HIS  41  -3.600   1.858  -8.749
  332    HB3  HIS  41           HB1      HIS  41  -3.271   0.303  -8.005
  333    HD1  HIS  41           HD1      HIS  41  -4.893   1.848 -10.878
  334    HD2  HIS  41           HD2      HIS  41  -5.170  -1.765  -8.827
  335    HE1  HIS  41           HE1      HIS  41  -6.083   0.264 -12.436
  336    HE2  HIS  41           HE2      HIS  41  -6.357  -1.869 -11.120
  337    H    VAL  42           HN       VAL  42  -7.226   1.010  -6.107
  338    HA   VAL  42           HA       VAL  42  -6.442  -1.546  -4.791
  339    HB   VAL  42           HB       VAL  42  -7.798   0.960  -3.921
  340   HG11  VAL  42          HG11      VAL  42  -9.600  -0.652  -3.768
  341   HG12  VAL  42          HG12      VAL  42  -9.040  -0.166  -2.166
  342   HG13  VAL  42          HG13      VAL  42  -8.568  -1.731  -2.833
  343   HG21  VAL  42          HG21      VAL  42  -5.542   0.378  -3.214
  344   HG22  VAL  42          HG22      VAL  42  -6.166  -1.160  -2.578
  345   HG23  VAL  42          HG23      VAL  42  -6.654   0.364  -1.831
  346    H    LYS  43           HN       LYS  43  -8.114  -3.033  -4.686
  347    HA   LYS  43           HA       LYS  43 -10.554  -2.534  -6.239
  348    HB2  LYS  43           HB2      LYS  43  -8.977  -3.448  -7.888
  349    HB3  LYS  43           HB1      LYS  43  -8.644  -4.813  -6.843
  350    HG2  LYS  43           HG2      LYS  43 -11.018  -5.497  -7.052
  351    HG3  LYS  43           HG1      LYS  43 -11.244  -4.182  -8.208
  352    HD2  LYS  43           HD2      LYS  43  -9.566  -5.166  -9.676
  353    HD3  LYS  43           HD1      LYS  43  -9.290  -6.462  -8.513
  354    HE2  LYS  43           HE2      LYS  43 -10.709  -7.311 -10.232
  355    HE3  LYS  43           HE1      LYS  43 -11.683  -7.110  -8.779
  356    HZ1  LYS  43           HZ1      LYS  43 -11.601  -5.231 -11.076
  357    HZ2  LYS  43           HZ2      LYS  43 -12.547  -5.048  -9.690
  358    HZ3  LYS  43           HZ3      LYS  43 -12.843  -6.330 -10.749
  359    H    VAL  44           HN       VAL  44 -11.917  -2.803  -4.767
  360    HA   VAL  44           HA       VAL  44 -11.664  -4.991  -2.824
  361    HB   VAL  44           HB       VAL  44 -11.955  -2.522  -2.107
  362   HG11  VAL  44          HG11      VAL  44 -14.694  -3.156  -3.112
  363   HG12  VAL  44          HG12      VAL  44 -13.578  -1.939  -3.757
  364   HG13  VAL  44          HG13      VAL  44 -14.275  -1.737  -2.143
  365   HG21  VAL  44          HG21      VAL  44 -14.009  -4.506  -1.138
  366   HG22  VAL  44          HG22      VAL  44 -13.418  -3.094  -0.263
  367   HG23  VAL  44          HG23      VAL  44 -12.335  -4.442  -0.598
  368    H    LYS  45           HN       LYS  45 -13.631  -6.078  -2.318
  369    HA   LYS  45           HA       LYS  45 -15.787  -6.161  -4.248
  370    HB2  LYS  45           HB2      LYS  45 -13.839  -8.452  -3.865
  371    HB3  LYS  45           HB1      LYS  45 -15.378  -8.604  -4.697
  372    HG2  LYS  45           HG2      LYS  45 -14.632  -7.199  -6.472
  373    HG3  LYS  45           HG1      LYS  45 -13.181  -6.746  -5.578
  374    HD2  LYS  45           HD2      LYS  45 -13.837  -9.514  -6.597
  375    HD3  LYS  45           HD1      LYS  45 -12.691  -8.391  -7.331
  376    HE2  LYS  45           HE2      LYS  45 -12.483  -9.596  -4.572
  377    HE3  LYS  45           HE1      LYS  45 -11.545 -10.069  -5.982
  378    HZ1  LYS  45           HZ1      LYS  45 -10.388  -8.048  -5.979
  379    HZ2  LYS  45           HZ2      LYS  45 -10.446  -8.513  -4.350
  380    HZ3  LYS  45           HZ3      LYS  45 -11.486  -7.310  -4.918
  381    H    THR  46           HN       THR  46 -17.604  -6.669  -3.091
  382    HA   THR  46           HA       THR  46 -17.466  -8.599  -0.970
  383    HB   THR  46           HB       THR  46 -16.672  -6.630   0.248
  384    HG1  THR  46           HG1      THR  46 -17.944  -7.005   1.959
  385   HG21  THR  46          HG21      THR  46 -18.196  -4.729   0.651
  386   HG22  THR  46          HG22      THR  46 -19.303  -5.391  -0.553
  387   HG23  THR  46          HG23      THR  46 -17.694  -4.855  -1.034
  388    H    TYR  47           HN       TYR  47 -19.337  -9.542  -0.556
  389    HA   TYR  47           HA       TYR  47 -21.841  -8.178  -0.856
  390    HB2  TYR  47           HB2      TYR  47 -21.351  -9.120  -3.171
  391    HB3  TYR  47           HB1      TYR  47 -21.450 -10.723  -2.450
  392    HD1  TYR  47           HD1      TYR  47 -23.491 -11.819  -2.529
  393    HD2  TYR  47           HD2      TYR  47 -23.436  -7.566  -2.648
  394    HE1  TYR  47           HE1      TYR  47 -25.932 -11.799  -2.826
  395    HE2  TYR  47           HE2      TYR  47 -25.874  -7.536  -2.947
  396    HH   TYR  47           HH       TYR  47 -27.652  -8.967  -3.710
  397    H    SER  48           HN       SER  48 -21.272  -8.614   1.414
  398    HA   SER  48           HA       SER  48 -22.643 -10.895   2.428
  399    HB2  SER  48           HB2      SER  48 -20.426 -11.909   1.862
  400    HB3  SER  48           HB1      SER  48 -19.655 -10.743   2.932
  401    HG   SER  48           HG       SER  48 -19.961 -12.266   4.361
  402    H    ASN  49           HN       ASN  49 -21.918 -10.899   5.008
  403    HA   ASN  49           HA       ASN  49 -23.124  -8.526   5.895
  404    HB2  ASN  49           HB2      ASN  49 -22.706  -9.378   8.176
  405    HB3  ASN  49           HB1      ASN  49 -23.413 -10.592   7.121
  406   HD21  ASN  49          HD21      ASN  49 -20.737  -9.722   9.068
  407   HD22  ASN  49          HD22      ASN  49 -19.830 -11.183   8.858
  408    H    SER  50           HN       SER  50 -19.712  -9.599   6.306
  409    HA   SER  50           HA       SER  50 -19.066  -6.789   6.744
  410    HB2  SER  50           HB2      SER  50 -19.228  -8.079   8.918
  411    HB3  SER  50           HB1      SER  50 -17.814  -8.985   8.382
  412    HG   SER  50           HG       SER  50 -17.722  -6.179   8.367
  413    H    ALA  51           HN       ALA  51 -18.686  -8.963   4.666
  414    HA   ALA  51           HA       ALA  51 -15.983  -9.669   4.436
  415    HB1  ALA  51           HB1      ALA  51 -17.140 -10.869   2.900
  416    HB2  ALA  51           HB2      ALA  51 -16.593  -9.525   1.863
  417    HB3  ALA  51           HB3      ALA  51 -18.232  -9.528   2.535
  418    H    THR  52           HN       THR  52 -14.236  -8.728   3.337
  419    HA   THR  52           HA       THR  52 -14.891  -6.885   1.426
  420    HB   THR  52           HB       THR  52 -12.627  -5.752   2.820
  421    HG1  THR  52           HG1      THR  52 -14.930  -6.374   4.160
  422   HG21  THR  52          HG21      THR  52 -13.921  -3.673   2.543
  423   HG22  THR  52          HG22      THR  52 -15.312  -4.620   2.020
  424   HG23  THR  52          HG23      THR  52 -13.847  -4.590   1.041
  425    H    LYS  53           HN       LYS  53 -14.065  -8.198  -0.162
  426    HA   LYS  53           HA       LYS  53 -11.403  -9.321   0.131
  427    HB2  LYS  53           HB2      LYS  53 -13.213  -9.429  -2.285
  428    HB3  LYS  53           HB1      LYS  53 -11.898 -10.517  -1.887
  429    HG2  LYS  53           HG2      LYS  53 -13.156 -11.434  -0.040
  430    HG3  LYS  53           HG1      LYS  53 -14.454 -10.271  -0.315
  431    HD2  LYS  53           HD2      LYS  53 -14.652 -11.251  -2.640
  432    HD3  LYS  53           HD1      LYS  53 -13.589 -12.544  -2.089
  433    HE2  LYS  53           HE2      LYS  53 -16.221 -11.806  -0.817
  434    HE3  LYS  53           HE1      LYS  53 -15.995 -13.121  -1.966
  435    HZ1  LYS  53           HZ1      LYS  53 -14.710 -12.906   0.701
  436    HZ2  LYS  53           HZ2      LYS  53 -14.473 -14.166  -0.402
  437    HZ3  LYS  53           HZ3      LYS  53 -15.993 -13.929   0.296
  438    H    ILE  54           HN       ILE  54  -9.639  -8.259  -0.490
  439    HA   ILE  54           HA       ILE  54 -10.072  -5.885  -2.157
  440    HB   ILE  54           HB       ILE  54  -8.095  -4.955  -0.763
  441   HG12  ILE  54          HG12      ILE  54  -8.360  -5.736   1.656
  442   HG13  ILE  54          HG11      ILE  54  -9.152  -7.163   0.999
  443   HG21  ILE  54          HG21      ILE  54 -10.305  -4.085  -0.916
  444   HG22  ILE  54          HG22      ILE  54  -9.734  -4.003   0.761
  445   HG23  ILE  54          HG23      ILE  54 -10.882  -5.266   0.274
  446   HD11  ILE  54          HD11      ILE  54  -7.110  -7.643  -0.306
  447   HD12  ILE  54          HD12      ILE  54  -6.851  -7.662   1.437
  448   HD13  ILE  54          HD13      ILE  54  -6.325  -6.274   0.483
  449    H    GLU  55           HN       GLU  55  -8.346  -5.012  -3.255
  450    HA   GLU  55           HA       GLU  55  -5.882  -6.546  -3.447
  451    HB2  GLU  55           HB2      GLU  55  -7.723  -5.747  -5.671
  452    HB3  GLU  55           HB1      GLU  55  -6.027  -6.037  -5.915
  453    HG2  GLU  55           HG2      GLU  55  -6.237  -8.327  -5.405
  454    HG3  GLU  55           HG1      GLU  55  -7.844  -8.087  -4.719
  455    H    VAL  56           HN       VAL  56  -4.474  -5.017  -2.814
  456    HA   VAL  56           HA       VAL  56  -5.017  -2.194  -3.511
  457    HB   VAL  56           HB       VAL  56  -4.450  -2.031  -1.205
  458   HG11  VAL  56          HG11      VAL  56  -2.877  -4.471  -1.584
  459   HG12  VAL  56          HG12      VAL  56  -4.516  -4.350  -0.949
  460   HG13  VAL  56          HG13      VAL  56  -3.171  -3.641  -0.062
  461   HG21  VAL  56          HG21      VAL  56  -1.586  -2.504  -2.121
  462   HG22  VAL  56          HG22      VAL  56  -2.157  -1.441  -0.837
  463   HG23  VAL  56          HG23      VAL  56  -2.457  -1.020  -2.517
  464    H    THR  57           HN       THR  57  -3.656  -1.167  -4.765
  465    HA   THR  57           HA       THR  57  -0.909  -2.102  -4.965
  466    HB   THR  57           HB       THR  57  -2.348  -1.289  -7.508
  467    HG1  THR  57           HG1      THR  57  -2.684  -3.572  -6.146
  468   HG21  THR  57          HG21      THR  57   0.194  -2.834  -6.994
  469   HG22  THR  57          HG22      THR  57   0.087  -1.156  -7.528
  470   HG23  THR  57          HG23      THR  57  -0.469  -2.456  -8.584
  471    H    ILE  58           HN       ILE  58  -0.076  -0.430  -4.079
  472    HA   ILE  58           HA       ILE  58  -1.146   2.303  -4.563
  473    HB   ILE  58           HB       ILE  58  -0.012   0.787  -2.217
  474   HG12  ILE  58          HG12      ILE  58  -2.374   2.655  -2.434
  475   HG13  ILE  58          HG11      ILE  58  -2.455   0.908  -2.614
  476   HG21  ILE  58          HG21      ILE  58  -0.138   3.813  -2.367
  477   HG22  ILE  58          HG22      ILE  58   1.325   2.835  -2.252
  478   HG23  ILE  58          HG23      ILE  58   0.185   2.876  -0.907
  479   HD11  ILE  58          HD11      ILE  58  -3.170   1.593  -0.405
  480   HD12  ILE  58          HD12      ILE  58  -1.628   2.407  -0.140
  481   HD13  ILE  58          HD13      ILE  58  -1.681   0.653  -0.306
  482    HA   PRO  59           HA       PRO  59   3.224   2.559  -6.240
  483    HB2  PRO  59           HB2      PRO  59   1.895   4.620  -7.891
  484    HB3  PRO  59           HB1      PRO  59   2.924   3.268  -8.389
  485    HG2  PRO  59           HG2      PRO  59   0.299   3.237  -8.853
  486    HG3  PRO  59           HG1      PRO  59   1.165   1.761  -8.385
  487    HD2  PRO  59           HD2      PRO  59  -0.483   3.595  -6.684
  488    HD3  PRO  59           HD1      PRO  59  -0.512   1.822  -6.759
  489    H    LEU  60           HN       LEU  60   4.117   3.554  -4.471
  490    HA   LEU  60           HA       LEU  60   3.600   6.343  -3.918
  491    HB2  LEU  60           HB2      LEU  60   5.633   4.377  -2.854
  492    HB3  LEU  60           HB1      LEU  60   5.337   5.971  -2.228
  493    HG   LEU  60           HG       LEU  60   3.288   3.773  -2.226
  494   HD11  LEU  60          HD11      LEU  60   5.131   4.715  -0.044
  495   HD12  LEU  60          HD12      LEU  60   5.108   3.123  -0.802
  496   HD13  LEU  60          HD13      LEU  60   3.752   3.645   0.198
  497   HD21  LEU  60          HD21      LEU  60   2.123   5.220  -0.622
  498   HD22  LEU  60          HD22      LEU  60   2.315   5.997  -2.192
  499   HD23  LEU  60          HD23      LEU  60   3.362   6.455  -0.849
  500    H    LYS  61           HN       LYS  61   6.077   7.445  -3.571
  501    HA   LYS  61           HA       LYS  61   6.946   8.151  -6.107
  502    HB2  LYS  61           HB2      LYS  61   8.781   7.937  -3.799
  503    HB3  LYS  61           HB1      LYS  61   8.719   9.223  -5.004
  504    HG2  LYS  61           HG2      LYS  61   7.643  10.459  -3.494
  505    HG3  LYS  61           HG1      LYS  61   6.273   9.358  -3.664
  506    HD2  LYS  61           HD2      LYS  61   6.569   9.062  -1.443
  507    HD3  LYS  61           HD1      LYS  61   7.829   7.945  -1.961
  508    HE2  LYS  61           HE2      LYS  61   8.222  10.842  -1.211
  509    HE3  LYS  61           HE1      LYS  61   8.628   9.456  -0.208
  510    HZ1  LYS  61           HZ1      LYS  61   9.845  10.033  -2.855
  511    HZ2  LYS  61           HZ2      LYS  61  10.293   8.801  -1.789
  512    HZ3  LYS  61           HZ3      LYS  61  10.550  10.423  -1.368
  513    H    ASN  62           HN       ASN  62   8.387   6.097  -3.662
  514    HA   ASN  62           HA       ASN  62  10.506   5.475  -5.414
  515    HB2  ASN  62           HB2      ASN  62  10.872   6.151  -3.079
  516    HB3  ASN  62           HB1      ASN  62  10.176   4.619  -2.643
  517   HD21  ASN  62          HD21      ASN  62  12.208   4.938  -5.434
  518   HD22  ASN  62          HD22      ASN  62  13.553   4.066  -4.789
  519    H    VAL  63           HN       VAL  63   7.997   3.794  -3.656
  520    HA   VAL  63           HA       VAL  63   8.524   1.354  -5.194
  521    HB   VAL  63           HB       VAL  63   9.485   1.130  -2.953
  522   HG11  VAL  63          HG11      VAL  63   8.067   2.663  -1.733
  523   HG12  VAL  63          HG12      VAL  63   8.049   1.073  -0.967
  524   HG13  VAL  63          HG13      VAL  63   6.683   1.592  -1.956
  525   HG21  VAL  63          HG21      VAL  63   7.033  -0.572  -3.369
  526   HG22  VAL  63          HG22      VAL  63   8.362  -0.952  -2.273
  527   HG23  VAL  63          HG23      VAL  63   8.648  -0.876  -4.011
  528    H    THR  64           HN       THR  64   6.755   0.017  -5.554
  529    HA   THR  64           HA       THR  64   4.098   1.200  -5.056
  530    HB   THR  64           HB       THR  64   5.008  -0.531  -7.369
  531    HG1  THR  64           HG1      THR  64   5.505   1.320  -8.232
  532   HG21  THR  64          HG21      THR  64   2.773  -0.117  -8.304
  533   HG22  THR  64          HG22      THR  64   2.316   0.718  -6.821
  534   HG23  THR  64          HG23      THR  64   2.692  -1.004  -6.782
  535    H    LEU  65           HN       LEU  65   2.856  -0.029  -3.685
  536    HA   LEU  65           HA       LEU  65   3.638  -2.850  -3.397
  537    HB2  LEU  65           HB2      LEU  65   2.146  -1.030  -1.531
  538    HB3  LEU  65           HB1      LEU  65   2.022  -2.765  -1.409
  539    HG   LEU  65           HG       LEU  65   4.649  -2.732  -1.379
  540   HD11  LEU  65          HD11      LEU  65   5.639  -0.871  -0.170
  541   HD12  LEU  65          HD12      LEU  65   4.087  -0.011  -0.214
  542   HD13  LEU  65          HD13      LEU  65   4.954  -0.331  -1.715
  543   HD21  LEU  65          HD21      LEU  65   4.576  -2.821   1.014
  544   HD22  LEU  65          HD22      LEU  65   3.137  -3.587   0.343
  545   HD23  LEU  65          HD23      LEU  65   3.034  -1.967   1.032
  546    H    ARG  66           HN       ARG  66   2.289  -4.464  -3.457
  547    HA   ARG  66           HA       ARG  66  -0.492  -3.942  -4.175
  548    HB2  ARG  66           HB2      ARG  66   0.511  -4.691  -6.037
  549    HB3  ARG  66           HB1      ARG  66   1.601  -5.786  -5.256
  550    HG2  ARG  66           HG2      ARG  66   0.165  -7.259  -6.253
  551    HG3  ARG  66           HG1      ARG  66  -0.614  -7.067  -4.684
  552    HD2  ARG  66           HD2      ARG  66  -2.159  -5.455  -5.623
  553    HD3  ARG  66           HD1      ARG  66  -1.346  -5.556  -7.184
  554    HE   ARG  66           HE       ARG  66  -2.144  -8.136  -6.465
  555   HH11  ARG  66          HH11      ARG  66  -3.552  -5.067  -7.395
  556   HH12  ARG  66          HH12      ARG  66  -5.011  -5.777  -8.012
  557   HH21  ARG  66          HH21      ARG  66  -4.036  -9.078  -7.289
  558   HH22  ARG  66          HH22      ARG  66  -5.306  -8.073  -7.925
  559    H    ALA  67           HN       ALA  67  -1.911  -5.021  -2.952
  560    HA   ALA  67           HA       ALA  67  -1.064  -7.557  -1.694
  561    HB1  ALA  67           HB1      ALA  67  -0.689  -6.095   0.128
  562    HB2  ALA  67           HB2      ALA  67  -2.218  -6.910   0.462
  563    HB3  ALA  67           HB3      ALA  67  -2.212  -5.247  -0.134
  564    H    GLU  68           HN       GLU  68  -2.497  -9.101  -2.077
  565    HA   GLU  68           HA       GLU  68  -5.247  -8.284  -2.732
  566    HB2  GLU  68           HB2      GLU  68  -5.137 -10.267  -4.370
  567    HB3  GLU  68           HB1      GLU  68  -4.309  -8.781  -4.819
  568    HG2  GLU  68           HG2      GLU  68  -2.199  -9.752  -3.983
  569    HG3  GLU  68           HG1      GLU  68  -3.053 -11.260  -3.674
  570    H    GLU  69           HN       GLU  69  -6.588  -9.078  -1.253
  571    HA   GLU  69           HA       GLU  69  -6.339 -11.865  -0.468
  572    HB2  GLU  69           HB2      GLU  69  -4.958 -10.688   1.183
  573    HB3  GLU  69           HB1      GLU  69  -6.317  -9.646   1.581
  574    HG2  GLU  69           HG2      GLU  69  -7.571 -11.570   2.385
  575    HG3  GLU  69           HG1      GLU  69  -6.230 -12.630   1.960
  576    H    ARG  70           HN       ARG  70  -8.260 -12.796  -0.302
  577    HA   ARG  70           HA       ARG  70 -10.651 -11.116  -0.382
  578    HB2  ARG  70           HB2      ARG  70 -10.340 -14.114  -0.691
  579    HB3  ARG  70           HB1      ARG  70 -11.829 -13.213  -0.930
  580    HG2  ARG  70           HG2      ARG  70 -10.859 -12.055  -2.824
  581    HG3  ARG  70           HG1      ARG  70  -9.318 -12.873  -2.559
  582    HD2  ARG  70           HD2      ARG  70 -10.352 -15.018  -3.010
  583    HD3  ARG  70           HD1      ARG  70 -11.925 -14.246  -3.189
  584    HE   ARG  70           HE       ARG  70 -10.131 -13.075  -5.001
  585   HH11  ARG  70          HH11      ARG  70 -11.729 -16.133  -4.434
  586   HH12  ARG  70          HH12      ARG  70 -11.826 -16.547  -6.113
  587   HH21  ARG  70          HH21      ARG  70 -10.268 -13.612  -7.226
  588   HH22  ARG  70          HH22      ARG  70 -11.005 -15.108  -7.702
  589    H    ASN  71           HN       ASN  71  -9.985 -10.554   1.895
  590    HA   ASN  71           HA       ASN  71 -10.628 -12.598   3.887
  591    HB2  ASN  71           HB2      ASN  71  -8.564 -11.008   3.923
  592    HB3  ASN  71           HB1      ASN  71  -9.674  -9.800   4.489
  593   HD21  ASN  71          HD21      ASN  71  -7.486 -10.596   5.696
  594   HD22  ASN  71          HD22      ASN  71  -7.976 -11.255   7.184
  595    H    ASP  72           HN       ASP  72 -11.869 -11.631   5.859
  596    HA   ASP  72           HA       ASP  72 -14.232 -10.258   4.807
  597    HB2  ASP  72           HB2      ASP  72 -13.821 -11.895   7.310
  598    HB3  ASP  72           HB1      ASP  72 -15.290 -10.976   6.992
  599    H    ASP  73           HN       ASP  73 -11.636  -9.081   5.513
  600    HA   ASP  73           HA       ASP  73 -12.650  -6.742   6.888
  601    HB2  ASP  73           HB2      ASP  73 -11.849  -8.171   8.778
  602    HB3  ASP  73           HB1      ASP  73 -10.271  -8.269   8.007
  603    H    LEU  74           HN       LEU  74 -12.447  -5.751   5.231
  604    HA   LEU  74           HA       LEU  74 -10.607  -5.047   3.513
  605    HB2  LEU  74           HB2      LEU  74 -12.589  -3.789   3.859
  606    HB3  LEU  74           HB1      LEU  74 -12.133  -3.528   5.544
  607    HG   LEU  74           HG       LEU  74 -10.576  -1.831   4.961
  608   HD11  LEU  74          HD11      LEU  74  -9.473  -2.791   3.088
  609   HD12  LEU  74          HD12      LEU  74 -10.107  -1.218   2.597
  610   HD13  LEU  74          HD13      LEU  74 -10.936  -2.698   2.104
  611   HD21  LEU  74          HD21      LEU  74 -11.943  -0.210   3.742
  612   HD22  LEU  74          HD22      LEU  74 -12.890  -1.102   4.933
  613   HD23  LEU  74          HD23      LEU  74 -13.015  -1.510   3.222
  614    H    TYR  75           HN       TYR  75 -10.523  -4.260   6.935
  615    HA   TYR  75           HA       TYR  75  -8.375  -2.482   6.560
  616    HB2  TYR  75           HB2      TYR  75 -10.216  -2.914   8.641
  617    HB3  TYR  75           HB1      TYR  75  -8.634  -3.241   9.323
  618    HD1  TYR  75           HD1      TYR  75 -10.799  -1.119   9.606
  619    HD2  TYR  75           HD2      TYR  75  -7.049  -1.409   7.742
  620    HE1  TYR  75           HE1      TYR  75 -10.510   1.202   9.878
  621    HE2  TYR  75           HE2      TYR  75  -6.729   0.941   8.010
  622    HH   TYR  75           HH       TYR  75  -8.679   2.902  10.009
  623    H    ALA  76           HN       ALA  76  -8.739  -5.792   6.956
  624    HA   ALA  76           HA       ALA  76  -6.170  -6.360   8.148
  625    HB1  ALA  76           HB1      ALA  76  -8.217  -7.771   8.495
  626    HB2  ALA  76           HB2      ALA  76  -6.804  -8.660   7.919
  627    HB3  ALA  76           HB3      ALA  76  -8.100  -8.235   6.794
  628    H    GLY  77           HN       GLY  77  -7.786  -6.251   5.044
  629    HA2  GLY  77           HA2      GLY  77  -5.626  -7.393   3.563
  630    HA3  GLY  77           HA1      GLY  77  -6.983  -6.458   2.940
  631    H    ILE  78           HN       ILE  78  -6.800  -4.079   3.981
  632    HA   ILE  78           HA       ILE  78  -4.656  -2.877   2.718
  633    HB   ILE  78           HB       ILE  78  -7.087  -2.064   3.932
  634   HG12  ILE  78          HG12      ILE  78  -6.633   0.043   2.682
  635   HG13  ILE  78          HG11      ILE  78  -4.993  -0.525   2.391
  636   HG21  ILE  78          HG21      ILE  78  -6.497  -0.012   5.100
  637   HG22  ILE  78          HG22      ILE  78  -4.788  -0.431   4.985
  638   HG23  ILE  78          HG23      ILE  78  -5.879  -1.432   5.943
  639   HD11  ILE  78          HD11      ILE  78  -6.402  -0.898   0.457
  640   HD12  ILE  78          HD12      ILE  78  -7.522  -1.848   1.435
  641   HD13  ILE  78          HD13      ILE  78  -5.882  -2.435   1.151
  642    H    ASP  79           HN       ASP  79  -5.089  -4.057   6.080
  643    HA   ASP  79           HA       ASP  79  -2.605  -2.900   7.131
  644    HB2  ASP  79           HB2      ASP  79  -4.479  -3.695   8.607
  645    HB3  ASP  79           HB1      ASP  79  -4.101  -5.342   8.112
  646    H    LEU  80           HN       LEU  80  -3.494  -6.016   5.691
  647    HA   LEU  80           HA       LEU  80  -0.968  -7.135   5.819
  648    HB2  LEU  80           HB2      LEU  80  -3.218  -7.964   4.684
  649    HB3  LEU  80           HB1      LEU  80  -2.505  -7.267   3.250
  650    HG   LEU  80           HG       LEU  80  -1.167  -9.414   4.901
  651   HD11  LEU  80          HD11      LEU  80  -2.779  -9.653   2.365
  652   HD12  LEU  80          HD12      LEU  80  -3.228 -10.275   3.954
  653   HD13  LEU  80          HD13      LEU  80  -1.834 -10.945   3.105
  654   HD21  LEU  80          HD21      LEU  80   0.253  -9.695   2.939
  655   HD22  LEU  80          HD22      LEU  80   0.372  -8.051   3.570
  656   HD23  LEU  80          HD23      LEU  80  -0.590  -8.374   2.127
  657    H    ILE  81           HN       ILE  81  -2.322  -4.764   3.576
  658    HA   ILE  81           HA       ILE  81   0.220  -4.471   2.266
  659    HB   ILE  81           HB       ILE  81  -2.114  -4.057   1.278
  660   HG12  ILE  81          HG12      ILE  81   0.260  -3.761   0.322
  661   HG13  ILE  81          HG11      ILE  81  -1.066  -2.956  -0.494
  662   HG21  ILE  81          HG21      ILE  81  -2.776  -2.293   2.872
  663   HG22  ILE  81          HG22      ILE  81  -2.837  -1.765   1.192
  664   HG23  ILE  81          HG23      ILE  81  -1.496  -1.269   2.223
  665   HD11  ILE  81          HD11      ILE  81  -0.478  -0.884   0.753
  666   HD12  ILE  81          HD12      ILE  81   0.759  -1.448  -0.364
  667   HD13  ILE  81          HD13      ILE  81   0.940  -1.738   1.364
  668    H    ASN  82           HN       ASN  82  -1.447  -2.523   4.749
  669    HA   ASN  82           HA       ASN  82   0.373  -0.355   4.694
  670    HB2  ASN  82           HB2      ASN  82  -1.759  -0.121   5.832
  671    HB3  ASN  82           HB1      ASN  82  -1.366  -1.438   6.921
  672   HD21  ASN  82          HD21      ASN  82  -0.763   1.897   6.141
  673   HD22  ASN  82          HD22      ASN  82   0.030   2.304   7.624
  674    H    ASN  83           HN       ASN  83   0.310  -3.393   6.325
  675    HA   ASN  83           HA       ASN  83   2.481  -2.756   8.099
  676    HB2  ASN  83           HB2      ASN  83   1.400  -4.312   9.300
  677    HB3  ASN  83           HB1      ASN  83   0.214  -4.424   7.960
  678   HD21  ASN  83          HD21      ASN  83   2.904  -5.908   9.606
  679   HD22  ASN  83          HD22      ASN  83   2.857  -7.416   8.763
  680    H    LYS  84           HN       LYS  84   1.887  -4.905   5.330
  681    HA   LYS  84           HA       LYS  84   4.605  -5.606   4.903
  682    HB2  LYS  84           HB2      LYS  84   2.779  -6.826   3.812
  683    HB3  LYS  84           HB1      LYS  84   2.332  -5.385   2.915
  684    HG2  LYS  84           HG2      LYS  84   4.623  -5.465   1.870
  685    HG3  LYS  84           HG1      LYS  84   4.808  -7.059   2.606
  686    HD2  LYS  84           HD2      LYS  84   2.840  -7.857   1.414
  687    HD3  LYS  84           HD1      LYS  84   2.597  -6.256   0.713
  688    HE2  LYS  84           HE2      LYS  84   4.836  -6.452  -0.354
  689    HE3  LYS  84           HE1      LYS  84   4.931  -8.107   0.248
  690    HZ1  LYS  84           HZ1      LYS  84   4.173  -8.113  -2.010
  691    HZ2  LYS  84           HZ2      LYS  84   2.923  -7.032  -1.656
  692    HZ3  LYS  84           HZ3      LYS  84   2.896  -8.596  -1.016
  693    H    LEU  85           HN       LEU  85   2.787  -2.737   4.363
  694    HA   LEU  85           HA       LEU  85   4.470  -1.551   2.414
  695    HB2  LEU  85           HB2      LEU  85   2.165  -0.744   2.908
  696    HB3  LEU  85           HB1      LEU  85   2.734  -0.163   4.460
  697    HG   LEU  85           HG       LEU  85   4.207   0.863   2.119
  698   HD11  LEU  85          HD11      LEU  85   1.981   0.873   1.188
  699   HD12  LEU  85          HD12      LEU  85   2.447   2.520   1.616
  700   HD13  LEU  85          HD13      LEU  85   1.339   1.618   2.650
  701   HD21  LEU  85          HD21      LEU  85   4.014   2.954   3.405
  702   HD22  LEU  85          HD22      LEU  85   4.688   1.638   4.368
  703   HD23  LEU  85          HD23      LEU  85   3.005   2.117   4.585
  704    H    GLU  86           HN       GLU  86   4.238  -1.219   5.956
  705    HA   GLU  86           HA       GLU  86   6.575   0.223   6.322
  706    HB2  GLU  86           HB2      GLU  86   5.168  -0.245   8.187
  707    HB3  GLU  86           HB1      GLU  86   5.300  -1.977   7.933
  708    HG2  GLU  86           HG2      GLU  86   7.600  -1.951   8.639
  709    HG3  GLU  86           HG1      GLU  86   7.589  -0.191   8.731
  710    H    ARG  87           HN       ARG  87   6.091  -3.304   6.004
  711    HA   ARG  87           HA       ARG  87   8.764  -4.054   6.190
  712    HB2  ARG  87           HB2      ARG  87   7.121  -5.715   6.333
  713    HB3  ARG  87           HB1      ARG  87   6.548  -5.289   4.753
  714    HG2  ARG  87           HG2      ARG  87   8.663  -6.072   3.768
  715    HG3  ARG  87           HG1      ARG  87   9.167  -6.584   5.378
  716    HD2  ARG  87           HD2      ARG  87   7.390  -8.194   5.485
  717    HD3  ARG  87           HD1      ARG  87   6.695  -7.594   3.979
  718    HE   ARG  87           HE       ARG  87   9.326  -8.368   3.461
  719   HH11  ARG  87          HH11      ARG  87   6.284  -9.855   4.349
  720   HH12  ARG  87          HH12      ARG  87   6.667 -11.371   3.597
  721   HH21  ARG  87          HH21      ARG  87   9.816 -10.351   2.449
  722   HH22  ARG  87          HH22      ARG  87   8.672 -11.656   2.518
  723    H    GLN  88           HN       GLN  88   7.014  -2.867   3.370
  724    HA   GLN  88           HA       GLN  88   9.094  -3.926   1.590
  725    HB2  GLN  88           HB2      GLN  88   6.535  -4.134   1.179
  726    HB3  GLN  88           HB1      GLN  88   6.618  -2.442   0.752
  727    HG2  GLN  88           HG2      GLN  88   6.704  -3.944  -1.198
  728    HG3  GLN  88           HG1      GLN  88   8.101  -2.880  -1.061
  729   HE21  GLN  88          HE21      GLN  88   9.336  -4.238  -2.357
  730   HE22  GLN  88          HE22      GLN  88   9.958  -5.745  -1.779
  731    H    VAL  89           HN       VAL  89   7.435  -1.041   2.531
  732    HA   VAL  89           HA       VAL  89   8.779   0.777   0.984
  733    HB   VAL  89           HB       VAL  89   7.246   0.880   3.503
  734   HG11  VAL  89          HG11      VAL  89   7.624   3.317   3.730
  735   HG12  VAL  89          HG12      VAL  89   8.847   3.244   2.462
  736   HG13  VAL  89          HG13      VAL  89   9.113   2.408   3.993
  737   HG21  VAL  89          HG21      VAL  89   5.894   2.466   2.205
  738   HG22  VAL  89          HG22      VAL  89   6.128   0.945   1.344
  739   HG23  VAL  89          HG23      VAL  89   7.055   2.371   0.881
  740    H    ARG  90           HN       ARG  90   9.430  -0.427   4.230
  741    HA   ARG  90           HA       ARG  90  11.879   1.005   4.538
  742    HB2  ARG  90           HB2      ARG  90  10.947  -1.510   5.916
  743    HB3  ARG  90           HB1      ARG  90  12.459  -0.688   6.289
  744    HG2  ARG  90           HG2      ARG  90   9.693   0.488   6.567
  745    HG3  ARG  90           HG1      ARG  90  10.692  -0.126   7.882
  746    HD2  ARG  90           HD2      ARG  90  11.389   2.187   6.079
  747    HD3  ARG  90           HD1      ARG  90  10.771   2.320   7.721
  748    HE   ARG  90           HE       ARG  90  13.130   0.739   7.647
  749   HH11  ARG  90          HH11      ARG  90  11.995   4.044   7.515
  750   HH12  ARG  90          HH12      ARG  90  13.470   4.714   8.137
  751   HH21  ARG  90          HH21      ARG  90  15.081   1.621   8.471
  752   HH22  ARG  90          HH22      ARG  90  15.225   3.339   8.666
  753    H    LYS  91           HN       LYS  91  11.145  -2.253   3.306
  754    HA   LYS  91           HA       LYS  91  13.745  -3.150   3.059
  755    HB2  LYS  91           HB2      LYS  91  11.908  -4.621   2.791
  756    HB3  LYS  91           HB1      LYS  91  11.472  -3.709   1.400
  757    HG2  LYS  91           HG2      LYS  91  12.478  -5.756   0.675
  758    HG3  LYS  91           HG1      LYS  91  13.526  -4.400   0.257
  759    HD2  LYS  91           HD2      LYS  91  14.867  -4.841   2.277
  760    HD3  LYS  91           HD1      LYS  91  13.832  -6.222   2.643
  761    HE2  LYS  91           HE2      LYS  91  15.569  -5.885   0.199
  762    HE3  LYS  91           HE1      LYS  91  15.888  -6.952   1.565
  763    HZ1  LYS  91           HZ1      LYS  91  13.608  -7.165  -0.329
  764    HZ2  LYS  91           HZ2      LYS  91  13.846  -8.163   1.014
  765    HZ3  LYS  91           HZ3      LYS  91  14.951  -8.187  -0.260
  766    H    TYR  92           HN       TYR  92  11.718  -1.412   0.873
  767    HA   TYR  92           HA       TYR  92  13.618  -1.347  -1.251
  768    HB2  TYR  92           HB2      TYR  92  10.984  -1.036  -1.230
  769    HB3  TYR  92           HB1      TYR  92  11.421   0.665  -1.101
  770    HD1  TYR  92           HD1      TYR  92  12.695   1.756  -2.929
  771    HD2  TYR  92           HD2      TYR  92  11.297  -2.246  -3.257
  772    HE1  TYR  92           HE1      TYR  92  13.042   1.840  -5.361
  773    HE2  TYR  92           HE2      TYR  92  11.635  -2.174  -5.690
  774    HH   TYR  92           HH       TYR  92  13.428   0.245  -7.224
  775    H    LYS  93           HN       LYS  93  12.447   1.181   1.006
  776    HA   LYS  93           HA       LYS  93  14.155   3.166  -0.069
  777    HB2  LYS  93           HB2      LYS  93  13.395   4.615   1.617
  778    HB3  LYS  93           HB1      LYS  93  12.033   3.566   1.283
  779    HG2  LYS  93           HG2      LYS  93  11.925   3.497   3.533
  780    HG3  LYS  93           HG1      LYS  93  13.115   2.213   3.318
  781    HD2  LYS  93           HD2      LYS  93  13.816   3.737   5.074
  782    HD3  LYS  93           HD1      LYS  93  14.922   3.819   3.704
  783    HE2  LYS  93           HE2      LYS  93  14.436   6.037   4.605
  784    HE3  LYS  93           HE1      LYS  93  13.861   5.875   2.951
  785    HZ1  LYS  93           HZ1      LYS  93  12.158   5.619   5.371
  786    HZ2  LYS  93           HZ2      LYS  93  11.626   5.572   3.766
  787    HZ3  LYS  93           HZ3      LYS  93  12.267   6.999   4.402
  788    H    THR  94           HN       THR  94  14.477   0.971   2.692
  789    HA   THR  94           HA       THR  94  16.870   2.178   3.600
  790    HB   THR  94           HB       THR  94  15.621  -0.505   4.225
  791    HG1  THR  94           HG1      THR  94  15.204   0.572   6.210
  792   HG21  THR  94          HG21      THR  94  18.052  -0.702   4.497
  793   HG22  THR  94          HG22      THR  94  17.242  -0.684   6.062
  794   HG23  THR  94          HG23      THR  94  18.067   0.760   5.481
  795    H    ARG  95           HN       ARG  95  16.184  -0.650   1.526
  796    HA   ARG  95           HA       ARG  95  18.904  -1.377   1.209
  797    HB2  ARG  95           HB2      ARG  95  17.039  -2.892   0.694
  798    HB3  ARG  95           HB1      ARG  95  16.573  -1.867  -0.651
  799    HG2  ARG  95           HG2      ARG  95  17.761  -3.836  -1.415
  800    HG3  ARG  95           HG1      ARG  95  18.668  -2.371  -1.781
  801    HD2  ARG  95           HD2      ARG  95  19.238  -3.859   0.745
  802    HD3  ARG  95           HD1      ARG  95  19.868  -4.474  -0.780
  803    HE   ARG  95           HE       ARG  95  20.511  -1.761  -0.621
  804   HH11  ARG  95          HH11      ARG  95  21.273  -4.731   1.068
  805   HH12  ARG  95          HH12      ARG  95  22.885  -4.240   1.473
  806   HH21  ARG  95          HH21      ARG  95  22.647  -1.116  -0.093
  807   HH22  ARG  95          HH22      ARG  95  23.658  -2.174   0.836
  808    H    ILE  96           HN       ILE  96  16.805   0.858  -0.590
  809    HA   ILE  96           HA       ILE  96  18.786   1.296  -2.617
  810    HB   ILE  96           HB       ILE  96  16.284   1.603  -2.948
  811   HG12  ILE  96          HG12      ILE  96  16.595   3.554  -4.480
  812   HG13  ILE  96          HG11      ILE  96  18.185   3.807  -3.765
  813   HG21  ILE  96          HG21      ILE  96  15.302   3.741  -2.412
  814   HG22  ILE  96          HG22      ILE  96  16.808   4.280  -1.670
  815   HG23  ILE  96          HG23      ILE  96  15.886   2.969  -0.937
  816   HD11  ILE  96          HD11      ILE  96  18.317   2.622  -5.887
  817   HD12  ILE  96          HD12      ILE  96  17.299   1.338  -5.238
  818   HD13  ILE  96          HD13      ILE  96  18.898   1.624  -4.555
  819    H    ASN  97           HN       ASN  97  17.905   2.890   0.402
  820    HA   ASN  97           HA       ASN  97  19.586   5.161   0.044
  821    HB2  ASN  97           HB2      ASN  97  18.299   3.874   2.436
  822    HB3  ASN  97           HB1      ASN  97  19.489   5.150   2.659
  823   HD21  ASN  97          HD21      ASN  97  17.406   5.163  -0.117
  824   HD22  ASN  97          HD22      ASN  97  16.416   6.487   0.384
  825    H    ARG  98           HN       ARG  98  20.046   1.952   1.433
  826    HA   ARG  98           HA       ARG  98  22.770   2.431   2.187
  827    HB2  ARG  98           HB2      ARG  98  21.200  -0.122   1.823
  828    HB3  ARG  98           HB1      ARG  98  22.861  -0.074   2.386
  829    HG2  ARG  98           HG2      ARG  98  20.494   1.170   3.764
  830    HG3  ARG  98           HG1      ARG  98  21.315  -0.317   4.238
  831    HD2  ARG  98           HD2      ARG  98  22.438   2.479   4.245
  832    HD3  ARG  98           HD1      ARG  98  22.092   1.463   5.642
  833    HE   ARG  98           HE       ARG  98  24.286   1.061   3.715
  834   HH11  ARG  98          HH11      ARG  98  22.758   0.265   6.762
  835   HH12  ARG  98          HH12      ARG  98  24.184  -0.460   7.430
  836   HH21  ARG  98          HH21      ARG  98  26.139   0.099   4.553
  837   HH22  ARG  98          HH22      ARG  98  26.121  -0.569   6.163
  838    H    LYS  99           HN       LYS  99  21.267   1.996  -0.775
  839    HA   LYS  99           HA       LYS  99  23.583   0.760  -2.039
  840    HB2  LYS  99           HB2      LYS  99  21.301   0.103  -2.742
  841    HB3  LYS  99           HB1      LYS  99  21.002   1.756  -3.262
  842    HG2  LYS  99           HG2      LYS  99  22.783   1.557  -4.924
  843    HG3  LYS  99           HG1      LYS  99  23.078  -0.103  -4.403
  844    HD2  LYS  99           HD2      LYS  99  20.765  -0.683  -5.023
  845    HD3  LYS  99           HD1      LYS  99  20.522   0.968  -5.593
  846    HE2  LYS  99           HE2      LYS  99  21.007  -0.505  -7.456
  847    HE3  LYS  99           HE1      LYS  99  22.313   0.657  -7.235
  848    HZ1  LYS  99           HZ1      LYS  99  23.132  -1.584  -7.654
  849    HZ2  LYS  99           HZ2      LYS  99  22.345  -2.151  -6.272
  850    HZ3  LYS  99           HZ3      LYS  99  23.606  -1.036  -6.130
  851    H    SER 100           HN       SER 100  21.821   3.827  -2.029
  852    HA   SER 100           HA       SER 100  23.636   5.028  -3.911
  853    HB2  SER 100           HB2      SER 100  22.247   7.094  -3.386
  854    HB3  SER 100           HB1      SER 100  21.364   5.722  -4.057
  855    HG   SER 100           HG       SER 100  20.161   5.912  -2.350
  856    H    ARG 101           HN       ARG 101  22.925   5.405  -0.449
  857    HA   ARG 101           HA       ARG 101  25.163   7.275  -0.218
  858    HB2  ARG 101           HB2      ARG 101  23.195   6.494   1.937
  859    HB3  ARG 101           HB1      ARG 101  24.264   7.891   1.916
  860    HG2  ARG 101           HG2      ARG 101  23.000   8.725  -0.071
  861    HG3  ARG 101           HG1      ARG 101  21.858   7.405   0.177
  862    HD2  ARG 101           HD2      ARG 101  22.486   9.652   2.083
  863    HD3  ARG 101           HD1      ARG 101  20.993   9.413   1.183
  864    HE   ARG 101           HE       ARG 101  21.837   7.392   3.143
  865   HH11  ARG 101          HH11      ARG 101  19.556   9.839   2.103
  866   HH12  ARG 101          HH12      ARG 101  18.409   9.472   3.348
  867   HH21  ARG 101          HH21      ARG 101  20.355   6.918   4.773
  868   HH22  ARG 101          HH22      ARG 101  18.860   7.802   4.878
  869    H    ASP 102           HN       ASP 102  23.910   4.678   1.864
  870    HA   ASP 102           HA       ASP 102  24.925   3.092   3.129
  871    HB2  ASP 102           HB2      ASP 102  25.523   2.260   0.845
  872    HB3  ASP 102           HB1      ASP 102  27.058   3.109   0.985
  873    H    ARG 103           HN       ARG 103  25.264   5.089   4.512
  874    HA   ARG 103           HA       ARG 103  28.155   5.403   5.055
  875    HB2  ARG 103           HB2      ARG 103  25.954   7.431   5.503
  876    HB3  ARG 103           HB1      ARG 103  27.643   7.646   5.940
  877    HG2  ARG 103           HG2      ARG 103  28.269   7.515   3.580
  878    HG3  ARG 103           HG1      ARG 103  26.570   7.314   3.146
  879    HD2  ARG 103           HD2      ARG 103  27.263   9.625   2.844
  880    HD3  ARG 103           HD1      ARG 103  26.067   9.495   4.133
  881    HE   ARG 103           HE       ARG 103  28.810   9.428   5.032
  882   HH11  ARG 103          HH11      ARG 103  26.035  11.452   4.338
  883   HH12  ARG 103          HH12      ARG 103  26.598  12.768   5.316
  884   HH21  ARG 103          HH21      ARG 103  29.543  11.153   6.318
  885   HH22  ARG 103          HH22      ARG 103  28.594  12.599   6.443
  886    H    GLY 104           HN       GLY 104  26.462   3.352   6.086
  887    HA2  GLY 104           HA2      GLY 104  25.930   2.361   8.099
  888    HA3  GLY 104           HA1      GLY 104  26.765   3.690   8.902
  889    H    ASP 105           HN       ASP 105  24.040   3.707   6.684
  890    HA   ASP 105           HA       ASP 105  22.668   5.780   7.942
  891    HB2  ASP 105           HB2      ASP 105  21.523   3.637   6.141
  892    HB3  ASP 105           HB1      ASP 105  20.821   5.221   6.451
  893    H    GLN 106           HN       GLN 106  22.757   2.427   8.664
  894    HA   GLN 106           HA       GLN 106  20.308   2.145  10.041
  895    HB2  GLN 106           HB2      GLN 106  21.694   0.232   9.357
  896    HB3  GLN 106           HB1      GLN 106  22.951   0.739  10.473
  897    HG2  GLN 106           HG2      GLN 106  21.235   0.467  12.310
  898    HG3  GLN 106           HG1      GLN 106  20.234  -0.352  11.111
  899   HE21  GLN 106          HE21      GLN 106  23.130  -0.479  13.009
  900   HE22  GLN 106          HE22      GLN 106  23.461  -2.164  12.754
  901    H    GLU 107           HN       GLU 107  23.396   3.501  10.889
  902    HA   GLU 107           HA       GLU 107  22.748   3.544  13.730
  903    HB2  GLU 107           HB2      GLU 107  25.277   4.385  12.303
  904    HB3  GLU 107           HB1      GLU 107  25.072   4.225  14.043
  905    HG2  GLU 107           HG2      GLU 107  24.838   1.969  12.064
  906    HG3  GLU 107           HG1      GLU 107  26.269   2.329  13.029
  907    H    VAL 108           HN       VAL 108  21.149   5.144  12.129
  908    HA   VAL 108           HA       VAL 108  22.054   7.878  12.656
  909    HB   VAL 108           HB       VAL 108  20.975   7.243  10.453
  910   HG11  VAL 108          HG11      VAL 108  18.533   7.104  10.375
  911   HG12  VAL 108          HG12      VAL 108  18.481   7.115  12.138
  912   HG13  VAL 108          HG13      VAL 108  19.242   5.771  11.286
  913   HG21  VAL 108          HG21      VAL 108  21.165   9.562  11.133
  914   HG22  VAL 108          HG22      VAL 108  19.665   9.437  12.051
  915   HG23  VAL 108          HG23      VAL 108  19.636   9.292  10.295
  916    H    PHE 109           HN       PHE 109  20.907   5.540  14.420
  917    HA   PHE 109           HA       PHE 109  18.919   7.140  15.878
  918    HB2  PHE 109           HB2      PHE 109  19.414   4.155  15.937
  919    HB3  PHE 109           HB1      PHE 109  18.189   5.002  16.871
  920    HD1  PHE 109           HD1      PHE 109  19.070   3.596  13.667
  921    HD2  PHE 109           HD2      PHE 109  16.274   6.064  15.712
  922    HE1  PHE 109           HE1      PHE 109  17.483   3.332  11.806
  923    HE2  PHE 109           HE2      PHE 109  14.680   5.807  13.855
  924    HZ   PHE 109           HZ       PHE 109  15.286   4.438  11.897
  925    H    VAL 110           HN       VAL 110  22.019   6.943  15.924
  926    HA   VAL 110           HA       VAL 110  22.382   6.245  18.749
  927    HB   VAL 110           HB       VAL 110  24.512   6.860  16.692
  928   HG11  VAL 110          HG11      VAL 110  26.019   5.774  18.301
  929   HG12  VAL 110          HG12      VAL 110  24.676   5.607  19.430
  930   HG13  VAL 110          HG13      VAL 110  25.251   7.211  18.977
  931   HG21  VAL 110          HG21      VAL 110  23.259   4.876  16.035
  932   HG22  VAL 110          HG22      VAL 110  23.507   4.178  17.636
  933   HG23  VAL 110          HG23      VAL 110  24.884   4.446  16.567
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  -1.536  14.735  -6.272
    2    H2   MET   1           HT2      MET   1  -0.260  14.168  -7.221
    3    H3   MET   1           HT3      MET   1  -0.143  15.674  -6.465
    4    HA   MET   1           HA       MET   1   1.156  14.002  -5.345
    5    HB2  MET   1           HB2      MET   1   0.190  14.335  -3.059
    6    HB3  MET   1           HB1      MET   1   0.412  15.807  -3.993
    7    HG2  MET   1           HG2      MET   1  -1.968  15.600  -4.667
    8    HG3  MET   1           HG1      MET   1  -2.136  14.338  -3.454
    9    HE1  MET   1           HE1      MET   1  -0.174  15.422  -1.152
   10    HE2  MET   1           HE2      MET   1  -1.765  14.719  -0.859
   11    HE3  MET   1           HE3      MET   1  -1.342  16.274  -0.141
   12    H    ILE   2           HN       ILE   2  -0.062  12.657  -3.048
   13    HA   ILE   2           HA       ILE   2  -0.356  10.085  -4.101
   14    HB   ILE   2           HB       ILE   2  -1.379  11.100  -1.443
   15   HG12  ILE   2          HG12      ILE   2   1.315   9.995  -2.264
   16   HG13  ILE   2          HG11      ILE   2   0.970  11.613  -1.668
   17   HG21  ILE   2          HG21      ILE   2  -2.336   8.961  -1.951
   18   HG22  ILE   2          HG22      ILE   2  -1.075   8.734  -0.738
   19   HG23  ILE   2          HG23      ILE   2  -0.765   8.317  -2.423
   20   HD11  ILE   2          HD11      ILE   2   1.991  10.352   0.076
   21   HD12  ILE   2          HD12      ILE   2   0.826   9.042  -0.121
   22   HD13  ILE   2          HD13      ILE   2   0.297  10.605   0.494
   23    H    ARG   3           HN       ARG   3  -1.976   9.288  -5.283
   24    HA   ARG   3           HA       ARG   3  -4.697  10.190  -4.726
   25    HB2  ARG   3           HB2      ARG   3  -4.894   9.621  -7.267
   26    HB3  ARG   3           HB1      ARG   3  -4.382  11.211  -6.746
   27    HG2  ARG   3           HG2      ARG   3  -2.039  10.488  -7.092
   28    HG3  ARG   3           HG1      ARG   3  -2.642   8.947  -7.709
   29    HD2  ARG   3           HD2      ARG   3  -3.864  10.139  -9.465
   30    HD3  ARG   3           HD1      ARG   3  -3.240  11.668  -8.854
   31    HE   ARG   3           HE       ARG   3  -1.159   9.817  -9.515
   32   HH11  ARG   3          HH11      ARG   3  -3.377  12.186 -10.812
   33   HH12  ARG   3          HH12      ARG   3  -2.406  12.528 -12.208
   34   HH21  ARG   3          HH21      ARG   3   0.133  10.259 -11.339
   35   HH22  ARG   3          HH22      ARG   3  -0.397  11.423 -12.509
   36    H    PHE   4           HN       PHE   4  -6.326   8.664  -4.993
   37    HA   PHE   4           HA       PHE   4  -5.393   5.891  -5.052
   38    HB2  PHE   4           HB2      PHE   4  -7.553   5.407  -3.860
   39    HB3  PHE   4           HB1      PHE   4  -6.404   6.395  -2.970
   40    HD1  PHE   4           HD1      PHE   4  -6.857   8.687  -2.446
   41    HD2  PHE   4           HD2      PHE   4  -9.635   6.373  -4.693
   42    HE1  PHE   4           HE1      PHE   4  -8.585  10.396  -2.063
   43    HE2  PHE   4           HE2      PHE   4 -11.365   8.078  -4.314
   44    HZ   PHE   4           HZ       PHE   4 -10.842  10.094  -2.998
   45    H    GLU   5           HN       GLU   5  -6.056   4.548  -6.573
   46    HA   GLU   5           HA       GLU   5  -8.320   5.331  -8.282
   47    HB2  GLU   5           HB2      GLU   5  -6.099   3.450  -9.094
   48    HB3  GLU   5           HB1      GLU   5  -7.293   4.212 -10.124
   49    HG2  GLU   5           HG2      GLU   5  -6.222   6.340  -9.896
   50    HG3  GLU   5           HG1      GLU   5  -5.101   5.687  -8.696
   51    H    ILE   6           HN       ILE   6  -9.692   4.376  -6.877
   52    HA   ILE   6           HA       ILE   6  -9.300   1.555  -6.241
   53    HB   ILE   6           HB       ILE   6 -11.317   3.610  -5.335
   54   HG12  ILE   6          HG12      ILE   6  -9.086   2.377  -3.720
   55   HG13  ILE   6          HG11      ILE   6  -8.920   3.896  -4.594
   56   HG21  ILE   6          HG21      ILE   6 -12.090   1.988  -3.688
   57   HG22  ILE   6          HG22      ILE   6 -10.873   0.827  -4.209
   58   HG23  ILE   6          HG23      ILE   6 -12.201   1.248  -5.290
   59   HD11  ILE   6          HD11      ILE   6  -9.393   4.369  -2.304
   60   HD12  ILE   6          HD12      ILE   6 -10.799   3.305  -2.322
   61   HD13  ILE   6          HD13      ILE   6 -10.815   4.799  -3.256
   62    H    HIS   7           HN       HIS   7 -10.389   0.078  -7.290
   63    HA   HIS   7           HA       HIS   7 -12.932   0.741  -8.651
   64    HB2  HIS   7           HB2      HIS   7 -10.845  -1.361  -9.129
   65    HB3  HIS   7           HB1      HIS   7 -12.518  -1.650  -9.589
   66    HD1  HIS   7           HD1      HIS   7 -10.933   1.744 -10.017
   67    HD2  HIS   7           HD2      HIS   7 -11.932  -1.567 -12.326
   68    HE1  HIS   7           HE1      HIS   7 -10.618   2.459 -12.402
   69    HE2  HIS   7           HE2      HIS   7 -11.409   0.506 -13.774
   70    H    GLY   8           HN       GLY   8 -14.267   0.511  -6.778
   71    HA2  GLY   8           HA2      GLY   8 -13.751  -2.021  -5.451
   72    HA3  GLY   8           HA1      GLY   8 -14.231  -0.597  -4.549
   73    H    ASP   9           HN       ASP   9 -15.280  -3.391  -6.213
   74    HA   ASP   9           HA       ASP   9 -18.016  -2.464  -6.507
   75    HB2  ASP   9           HB2      ASP   9 -16.598  -5.001  -7.236
   76    HB3  ASP   9           HB1      ASP   9 -18.356  -4.957  -7.173
   77    H    ASN  10           HN       ASN  10 -18.545  -2.031  -4.404
   78    HA   ASN  10           HA       ASN  10 -19.076  -4.422  -2.776
   79    HB2  ASN  10           HB2      ASN  10 -18.718  -3.108  -0.756
   80    HB3  ASN  10           HB1      ASN  10 -17.283  -3.033  -1.772
   81   HD21  ASN  10          HD21      ASN  10 -16.801  -1.094  -2.858
   82   HD22  ASN  10          HD22      ASN  10 -17.476   0.410  -2.344
   83    H    LEU  11           HN       LEU  11 -20.528  -2.577  -4.774
   84    HA   LEU  11           HA       LEU  11 -22.645  -1.906  -5.179
   85    HB2  LEU  11           HB2      LEU  11 -23.421  -3.904  -4.077
   86    HB3  LEU  11           HB1      LEU  11 -23.215  -3.167  -2.502
   87    HG   LEU  11           HG       LEU  11 -25.012  -1.562  -3.029
   88   HD11  LEU  11          HD11      LEU  11 -26.433  -1.949  -4.992
   89   HD12  LEU  11          HD12      LEU  11 -25.295  -3.169  -5.562
   90   HD13  LEU  11          HD13      LEU  11 -24.792  -1.484  -5.441
   91   HD21  LEU  11          HD21      LEU  11 -25.767  -4.458  -3.377
   92   HD22  LEU  11          HD22      LEU  11 -26.863  -3.158  -2.912
   93   HD23  LEU  11          HD23      LEU  11 -25.537  -3.617  -1.844
   94    H    THR  12           HN       THR  12 -21.938  -1.315  -1.741
   95    HA   THR  12           HA       THR  12 -23.289   1.235  -1.813
   96    HB   THR  12           HB       THR  12 -22.391   1.355   0.582
   97    HG1  THR  12           HG1      THR  12 -20.755  -0.373  -0.006
   98   HG21  THR  12          HG21      THR  12 -24.045  -0.267   1.399
   99   HG22  THR  12          HG22      THR  12 -24.153  -0.966  -0.217
  100   HG23  THR  12          HG23      THR  12 -24.684   0.694   0.065
  101    H    ILE  13           HN       ILE  13 -20.980   0.961  -3.558
  102    HA   ILE  13           HA       ILE  13 -18.790   2.348  -2.345
  103    HB   ILE  13           HB       ILE  13 -18.231   0.885  -4.140
  104   HG12  ILE  13          HG12      ILE  13 -17.977   3.738  -5.113
  105   HG13  ILE  13          HG11      ILE  13 -16.914   2.963  -3.944
  106   HG21  ILE  13          HG21      ILE  13 -20.340   0.836  -5.324
  107   HG22  ILE  13          HG22      ILE  13 -19.026   1.202  -6.440
  108   HG23  ILE  13          HG23      ILE  13 -20.093   2.491  -5.882
  109   HD11  ILE  13          HD11      ILE  13 -17.267   2.156  -6.819
  110   HD12  ILE  13          HD12      ILE  13 -16.205   1.371  -5.650
  111   HD13  ILE  13          HD13      ILE  13 -15.899   3.038  -6.141
  112    H    THR  14           HN       THR  14 -19.073   4.343  -1.689
  113    HA   THR  14           HA       THR  14 -19.899   6.354  -3.596
  114    HB   THR  14           HB       THR  14 -22.023   5.706  -2.558
  115    HG1  THR  14           HG1      THR  14 -22.649   7.784  -1.941
  116   HG21  THR  14          HG21      THR  14 -20.705   6.462   0.048
  117   HG22  THR  14          HG22      THR  14 -21.220   4.846  -0.436
  118   HG23  THR  14          HG23      THR  14 -22.420   6.109  -0.162
  119    H    ASP  15           HN       ASP  15 -20.075   8.501  -1.939
  120    HA   ASP  15           HA       ASP  15 -17.418   9.234  -1.581
  121    HB2  ASP  15           HB2      ASP  15 -19.168  10.880  -1.856
  122    HB3  ASP  15           HB1      ASP  15 -19.924  10.384  -0.346
  123    H    ALA  16           HN       ALA  16 -19.668   7.809   0.684
  124    HA   ALA  16           HA       ALA  16 -18.565   8.277   3.137
  125    HB1  ALA  16           HB1      ALA  16 -19.594   5.602   2.216
  126    HB2  ALA  16           HB2      ALA  16 -20.628   6.970   2.655
  127    HB3  ALA  16           HB3      ALA  16 -19.584   6.226   3.869
  128    H    ILE  17           HN       ILE  17 -17.893   5.300   1.343
  129    HA   ILE  17           HA       ILE  17 -15.719   4.528   2.979
  130    HB   ILE  17           HB       ILE  17 -16.628   3.666   0.261
  131   HG12  ILE  17          HG12      ILE  17 -17.043   1.505   1.716
  132   HG13  ILE  17          HG11      ILE  17 -16.956   2.644   3.062
  133   HG21  ILE  17          HG21      ILE  17 -14.423   2.450   1.920
  134   HG22  ILE  17          HG22      ILE  17 -14.245   3.263   0.363
  135   HG23  ILE  17          HG23      ILE  17 -15.113   1.730   0.464
  136   HD11  ILE  17          HD11      ILE  17 -19.255   2.144   2.293
  137   HD12  ILE  17          HD12      ILE  17 -18.865   2.899   0.748
  138   HD13  ILE  17          HD13      ILE  17 -18.839   3.852   2.230
  139    H    ARG  18           HN       ARG  18 -15.997   6.108  -0.144
  140    HA   ARG  18           HA       ARG  18 -13.339   6.070  -0.871
  141    HB2  ARG  18           HB2      ARG  18 -15.149   6.845  -2.365
  142    HB3  ARG  18           HB1      ARG  18 -15.371   8.271  -1.361
  143    HG2  ARG  18           HG2      ARG  18 -13.026   8.924  -1.898
  144    HG3  ARG  18           HG1      ARG  18 -12.977   7.582  -3.042
  145    HD2  ARG  18           HD2      ARG  18 -14.813   8.545  -4.296
  146    HD3  ARG  18           HD1      ARG  18 -14.964   9.847  -3.119
  147    HE   ARG  18           HE       ARG  18 -12.642   9.468  -4.904
  148   HH11  ARG  18          HH11      ARG  18 -14.793  11.533  -3.066
  149   HH12  ARG  18          HH12      ARG  18 -14.044  13.000  -3.598
  150   HH21  ARG  18          HH21      ARG  18 -11.646  11.409  -5.589
  151   HH22  ARG  18          HH22      ARG  18 -12.254  12.934  -5.025
  152    H    ASN  19           HN       ASN  19 -15.204   8.317   1.101
  153    HA   ASN  19           HA       ASN  19 -13.203  10.071   1.969
  154    HB2  ASN  19           HB2      ASN  19 -15.807  10.024   2.411
  155    HB3  ASN  19           HB1      ASN  19 -15.349   9.091   3.822
  156   HD21  ASN  19          HD21      ASN  19 -14.265  10.057   5.504
  157   HD22  ASN  19          HD22      ASN  19 -14.106  11.772   5.643
  158    H    TYR  20           HN       TYR  20 -14.565   7.257   3.619
  159    HA   TYR  20           HA       TYR  20 -12.968   6.876   5.770
  160    HB2  TYR  20           HB2      TYR  20 -14.873   5.386   4.839
  161    HB3  TYR  20           HB1      TYR  20 -13.619   4.579   3.916
  162    HD1  TYR  20           HD1      TYR  20 -15.611   3.860   6.421
  163    HD2  TYR  20           HD2      TYR  20 -11.425   4.339   5.840
  164    HE1  TYR  20           HE1      TYR  20 -15.174   2.331   8.298
  165    HE2  TYR  20           HE2      TYR  20 -10.984   2.818   7.714
  166    HH   TYR  20           HH       TYR  20 -12.148   2.032   9.756
  167    H    ILE  21           HN       ILE  21 -12.065   6.182   2.413
  168    HA   ILE  21           HA       ILE  21  -9.660   4.756   3.234
  169    HB   ILE  21           HB       ILE  21 -10.823   5.422   0.536
  170   HG12  ILE  21          HG12      ILE  21 -10.785   2.826   2.106
  171   HG13  ILE  21          HG11      ILE  21 -12.197   3.820   1.771
  172   HG21  ILE  21          HG21      ILE  21  -8.472   3.658   1.255
  173   HG22  ILE  21          HG22      ILE  21  -8.415   5.181   0.369
  174   HG23  ILE  21          HG23      ILE  21  -9.188   3.770  -0.351
  175   HD11  ILE  21          HD11      ILE  21 -12.002   3.327  -0.595
  176   HD12  ILE  21          HD12      ILE  21 -12.106   1.842   0.351
  177   HD13  ILE  21          HD13      ILE  21 -10.551   2.375  -0.290
  178    H    GLU  22           HN       GLU  22 -10.890   7.714   2.008
  179    HA   GLU  22           HA       GLU  22  -8.444   8.700   1.094
  180    HB2  GLU  22           HB2      GLU  22 -10.625   9.656   0.361
  181    HB3  GLU  22           HB1      GLU  22 -10.819  10.332   1.975
  182    HG2  GLU  22           HG2      GLU  22  -8.701  11.600   1.615
  183    HG3  GLU  22           HG1      GLU  22  -8.712  11.033  -0.052
  184    H    GLU  23           HN       GLU  23 -10.102   8.546   4.047
  185    HA   GLU  23           HA       GLU  23  -8.434  10.260   5.594
  186    HB2  GLU  23           HB2      GLU  23 -10.167   7.961   6.505
  187    HB3  GLU  23           HB1      GLU  23  -9.615   9.324   7.475
  188    HG2  GLU  23           HG2      GLU  23 -11.381   9.555   5.048
  189    HG3  GLU  23           HG1      GLU  23 -11.974   9.492   6.729
  190    H    LYS  24           HN       LYS  24  -8.713   6.722   5.203
  191    HA   LYS  24           HA       LYS  24  -6.571   5.946   6.790
  192    HB2  LYS  24           HB2      LYS  24  -8.197   4.459   5.593
  193    HB3  LYS  24           HB1      LYS  24  -7.323   4.778   4.106
  194    HG2  LYS  24           HG2      LYS  24  -6.553   2.693   4.865
  195    HG3  LYS  24           HG1      LYS  24  -5.276   3.839   5.279
  196    HD2  LYS  24           HD2      LYS  24  -5.935   3.883   7.562
  197    HD3  LYS  24           HD1      LYS  24  -7.437   3.031   7.209
  198    HE2  LYS  24           HE2      LYS  24  -6.069   1.063   6.510
  199    HE3  LYS  24           HE1      LYS  24  -4.639   1.922   7.075
  200    HZ1  LYS  24           HZ1      LYS  24  -5.644   0.306   8.686
  201    HZ2  LYS  24           HZ2      LYS  24  -6.969   1.359   8.819
  202    HZ3  LYS  24           HZ3      LYS  24  -5.427   1.880   9.281
  203    H    ILE  25           HN       ILE  25  -6.519   6.533   3.289
  204    HA   ILE  25           HA       ILE  25  -3.738   6.471   2.957
  205    HB   ILE  25           HB       ILE  25  -5.833   7.875   1.295
  206   HG12  ILE  25          HG12      ILE  25  -4.481   5.185   0.965
  207   HG13  ILE  25          HG11      ILE  25  -6.140   5.439   1.497
  208   HG21  ILE  25          HG21      ILE  25  -4.179   7.866  -0.509
  209   HG22  ILE  25          HG22      ILE  25  -2.978   7.192   0.593
  210   HG23  ILE  25          HG23      ILE  25  -3.617   8.812   0.870
  211   HD11  ILE  25          HD11      ILE  25  -6.052   4.783  -0.834
  212   HD12  ILE  25          HD12      ILE  25  -5.021   6.167  -1.199
  213   HD13  ILE  25          HD13      ILE  25  -6.684   6.421  -0.667
  214    H    GLY  26           HN       GLY  26  -5.928   9.088   3.805
  215    HA2  GLY  26           HA2      GLY  26  -4.059  11.195   3.613
  216    HA3  GLY  26           HA1      GLY  26  -5.505  11.191   4.614
  217    H    LYS  27           HN       LYS  27  -4.680   8.801   6.130
  218    HA   LYS  27           HA       LYS  27  -3.145  10.256   8.079
  219    HB2  LYS  27           HB2      LYS  27  -4.700   7.761   8.044
  220    HB3  LYS  27           HB1      LYS  27  -3.342   7.789   9.153
  221    HG2  LYS  27           HG2      LYS  27  -5.354   8.457  10.299
  222    HG3  LYS  27           HG1      LYS  27  -4.260   9.832  10.176
  223    HD2  LYS  27           HD2      LYS  27  -5.548  10.619   8.210
  224    HD3  LYS  27           HD1      LYS  27  -6.682   9.292   8.462
  225    HE2  LYS  27           HE2      LYS  27  -7.590  11.294   9.435
  226    HE3  LYS  27           HE1      LYS  27  -7.144  10.182  10.728
  227    HZ1  LYS  27           HZ1      LYS  27  -5.146  11.437  11.111
  228    HZ2  LYS  27           HZ2      LYS  27  -6.472  12.483  11.172
  229    HZ3  LYS  27           HZ3      LYS  27  -5.479  12.458   9.806
  230    H    LEU  28           HN       LEU  28  -2.826   7.676   5.802
  231    HA   LEU  28           HA       LEU  28  -0.197   6.924   6.507
  232    HB2  LEU  28           HB2      LEU  28  -1.448   6.753   3.795
  233    HB3  LEU  28           HB1      LEU  28  -0.148   5.754   4.442
  234    HG   LEU  28           HG       LEU  28  -2.918   5.887   5.576
  235   HD11  LEU  28          HD11      LEU  28  -1.670   3.737   3.834
  236   HD12  LEU  28          HD12      LEU  28  -2.891   4.886   3.300
  237   HD13  LEU  28          HD13      LEU  28  -3.285   3.696   4.538
  238   HD21  LEU  28          HD21      LEU  28  -1.342   5.255   7.239
  239   HD22  LEU  28          HD22      LEU  28  -0.546   4.122   6.150
  240   HD23  LEU  28          HD23      LEU  28  -2.178   3.790   6.727
  241    H    GLU  29           HN       GLU  29  -1.530   9.123   4.122
  242    HA   GLU  29           HA       GLU  29   0.735  10.126   2.907
  243    HB2  GLU  29           HB2      GLU  29  -1.554  10.651   2.208
  244    HB3  GLU  29           HB1      GLU  29  -1.810  11.567   3.683
  245    HG2  GLU  29           HG2      GLU  29   0.095  13.053   2.906
  246    HG3  GLU  29           HG1      GLU  29  -0.075  12.257   1.342
  247    H    ARG  30           HN       ARG  30  -0.824  11.137   5.930
  248    HA   ARG  30           HA       ARG  30   1.030  13.218   6.386
  249    HB2  ARG  30           HB2      ARG  30  -0.896  11.932   8.176
  250    HB3  ARG  30           HB1      ARG  30   0.073  13.290   8.673
  251    HG2  ARG  30           HG2      ARG  30  -1.918  13.256   6.423
  252    HG3  ARG  30           HG1      ARG  30  -2.182  13.968   8.015
  253    HD2  ARG  30           HD2      ARG  30  -1.497  15.860   7.007
  254    HD3  ARG  30           HD1      ARG  30   0.114  15.197   7.266
  255    HE   ARG  30           HE       ARG  30  -1.303  14.625   4.757
  256   HH11  ARG  30          HH11      ARG  30   1.376  16.141   6.437
  257   HH12  ARG  30          HH12      ARG  30   2.242  16.499   4.980
  258   HH21  ARG  30          HH21      ARG  30  -0.194  15.126   2.851
  259   HH22  ARG  30          HH22      ARG  30   1.348  15.935   2.934
  260    H    TYR  31           HN       TYR  31   1.348   9.891   6.804
  261    HA   TYR  31           HA       TYR  31   3.347  10.082   8.882
  262    HB2  TYR  31           HB2      TYR  31   2.571   7.839   7.011
  263    HB3  TYR  31           HB1      TYR  31   3.916   7.714   8.135
  264    HD1  TYR  31           HD1      TYR  31   1.026   6.295   7.795
  265    HD2  TYR  31           HD2      TYR  31   2.784   9.029  10.536
  266    HE1  TYR  31           HE1      TYR  31  -0.510   5.514   9.545
  267    HE2  TYR  31           HE2      TYR  31   1.255   8.255  12.296
  268    HH   TYR  31           HH       TYR  31  -0.628   5.429  11.978
  269    H    PHE  32           HN       PHE  32   3.217  10.841   5.606
  270    HA   PHE  32           HA       PHE  32   6.034  10.155   5.182
  271    HB2  PHE  32           HB2      PHE  32   4.079  11.089   3.114
  272    HB3  PHE  32           HB1      PHE  32   5.604  10.291   2.886
  273    HD1  PHE  32           HD1      PHE  32   2.728   9.590   1.846
  274    HD2  PHE  32           HD2      PHE  32   5.229   8.063   4.933
  275    HE1  PHE  32           HE1      PHE  32   1.626   7.402   1.654
  276    HE2  PHE  32           HE2      PHE  32   4.131   5.871   4.743
  277    HZ   PHE  32           HZ       PHE  32   2.328   5.537   3.101
  278    H    ASN  33           HN       ASN  33   7.461  11.763   4.498
  279    HA   ASN  33           HA       ASN  33   6.142  14.263   3.792
  280    HB2  ASN  33           HB2      ASN  33   8.040  15.566   4.533
  281    HB3  ASN  33           HB1      ASN  33   7.574  14.500   5.853
  282   HD21  ASN  33          HD21      ASN  33   8.937  12.813   6.446
  283   HD22  ASN  33          HD22      ASN  33  10.578  12.724   5.903
  284    H    ASP  34           HN       ASP  34   8.366  11.795   2.914
  285    HA   ASP  34           HA       ASP  34   9.356  13.257   0.717
  286    HB2  ASP  34           HB2      ASP  34  11.009  11.479   0.454
  287    HB3  ASP  34           HB1      ASP  34  10.984  12.079   2.109
  288    H    VAL  35           HN       VAL  35   6.642  12.238   0.797
  289    HA   VAL  35           HA       VAL  35   6.746  10.646  -1.654
  290    HB   VAL  35           HB       VAL  35   4.699  10.361   0.464
  291   HG11  VAL  35          HG11      VAL  35   4.999   8.911  -2.145
  292   HG12  VAL  35          HG12      VAL  35   3.731  10.065  -1.737
  293   HG13  VAL  35          HG13      VAL  35   3.820   8.520  -0.894
  294   HG21  VAL  35          HG21      VAL  35   6.849   8.472  -0.424
  295   HG22  VAL  35          HG22      VAL  35   5.568   8.079   0.719
  296   HG23  VAL  35          HG23      VAL  35   6.769   9.305   1.128
  297    HA   PRO  36           HA       PRO  36   4.259  14.328  -2.702
  298    HB2  PRO  36           HB2      PRO  36   5.477  14.888  -5.031
  299    HB3  PRO  36           HB1      PRO  36   6.146  15.415  -3.483
  300    HG2  PRO  36           HG2      PRO  36   6.949  13.115  -5.211
  301    HG3  PRO  36           HG1      PRO  36   7.968  14.236  -4.290
  302    HD2  PRO  36           HD2      PRO  36   7.285  11.698  -3.454
  303    HD3  PRO  36           HD1      PRO  36   7.773  13.014  -2.372
  304    H    ASN  37           HN       ASN  37   4.994  11.291  -4.094
  305    HA   ASN  37           HA       ASN  37   2.521  11.351  -5.638
  306    HB2  ASN  37           HB2      ASN  37   4.285  11.956  -7.239
  307    HB3  ASN  37           HB1      ASN  37   5.175  10.498  -6.813
  308   HD21  ASN  37          HD21      ASN  37   2.415  11.795  -8.462
  309   HD22  ASN  37          HD22      ASN  37   2.013  10.360  -9.342
  310    H    ALA  38           HN       ALA  38   1.371   9.693  -5.038
  311    HA   ALA  38           HA       ALA  38   2.454   7.018  -5.061
  312    HB1  ALA  38           HB1      ALA  38   1.751   6.416  -2.819
  313    HB2  ALA  38           HB2      ALA  38   1.175   8.053  -2.523
  314    HB3  ALA  38           HB3      ALA  38   2.900   7.753  -2.726
  315    H    VAL  39           HN       VAL  39   0.728   5.452  -5.275
  316    HA   VAL  39           HA       VAL  39  -1.920   6.607  -5.707
  317    HB   VAL  39           HB       VAL  39  -0.138   4.974  -7.445
  318   HG11  VAL  39          HG11      VAL  39  -1.871   3.849  -8.562
  319   HG12  VAL  39          HG12      VAL  39  -3.112   4.709  -7.648
  320   HG13  VAL  39          HG13      VAL  39  -2.065   3.538  -6.830
  321   HG21  VAL  39          HG21      VAL  39  -1.127   6.265  -9.206
  322   HG22  VAL  39          HG22      VAL  39  -0.617   7.336  -7.903
  323   HG23  VAL  39          HG23      VAL  39  -2.324   6.931  -8.093
  324    H    ALA  40           HN       ALA  40  -3.651   5.162  -5.198
  325    HA   ALA  40           HA       ALA  40  -2.873   2.470  -4.223
  326    HB1  ALA  40           HB1      ALA  40  -4.833   2.577  -2.680
  327    HB2  ALA  40           HB2      ALA  40  -5.022   4.283  -3.096
  328    HB3  ALA  40           HB3      ALA  40  -3.560   3.732  -2.276
  329    H    HIS  41           HN       HIS  41  -3.240   1.650  -6.252
  330    HA   HIS  41           HA       HIS  41  -5.861   1.901  -7.473
  331    HB2  HIS  41           HB2      HIS  41  -3.524   1.661  -8.650
  332    HB3  HIS  41           HB1      HIS  41  -3.736  -0.052  -8.321
  333    HD1  HIS  41           HD1      HIS  41  -4.535   2.533 -10.723
  334    HD2  HIS  41           HD2      HIS  41  -6.167  -1.128  -9.589
  335    HE1  HIS  41           HE1      HIS  41  -6.033   1.834 -12.622
  336    HE2  HIS  41           HE2      HIS  41  -6.924  -0.428 -11.963
  337    H    VAL  42           HN       VAL  42  -7.386   0.885  -6.167
  338    HA   VAL  42           HA       VAL  42  -6.624  -1.777  -5.082
  339    HB   VAL  42           HB       VAL  42  -7.776   0.702  -3.906
  340   HG11  VAL  42          HG11      VAL  42  -8.915  -0.537  -2.155
  341   HG12  VAL  42          HG12      VAL  42  -8.553  -2.048  -2.993
  342   HG13  VAL  42          HG13      VAL  42  -9.618  -0.855  -3.741
  343   HG21  VAL  42          HG21      VAL  42  -6.113  -1.584  -2.911
  344   HG22  VAL  42          HG22      VAL  42  -6.504  -0.144  -1.962
  345   HG23  VAL  42          HG23      VAL  42  -5.501   0.003  -3.419
  346    H    LYS  43           HN       LYS  43  -8.365  -3.205  -4.917
  347    HA   LYS  43           HA       LYS  43 -10.820  -2.529  -6.345
  348    HB2  LYS  43           HB2      LYS  43  -9.153  -3.124  -8.113
  349    HB3  LYS  43           HB1      LYS  43  -8.975  -4.705  -7.371
  350    HG2  LYS  43           HG2      LYS  43 -11.169  -5.337  -7.958
  351    HG3  LYS  43           HG1      LYS  43 -11.612  -3.682  -8.378
  352    HD2  LYS  43           HD2      LYS  43 -11.233  -5.044 -10.381
  353    HD3  LYS  43           HD1      LYS  43 -10.060  -3.732 -10.262
  354    HE2  LYS  43           HE2      LYS  43  -8.917  -5.733 -10.939
  355    HE3  LYS  43           HE1      LYS  43  -8.437  -5.337  -9.290
  356    HZ1  LYS  43           HZ1      LYS  43 -10.324  -7.446 -10.161
  357    HZ2  LYS  43           HZ2      LYS  43 -10.156  -6.967  -8.551
  358    HZ3  LYS  43           HZ3      LYS  43  -8.844  -7.650  -9.366
  359    H    VAL  44           HN       VAL  44 -12.324  -3.264  -5.221
  360    HA   VAL  44           HA       VAL  44 -11.905  -5.667  -3.565
  361    HB   VAL  44           HB       VAL  44 -11.969  -3.360  -2.380
  362   HG11  VAL  44          HG11      VAL  44 -13.744  -2.415  -3.674
  363   HG12  VAL  44          HG12      VAL  44 -14.227  -2.502  -1.973
  364   HG13  VAL  44          HG13      VAL  44 -14.842  -3.690  -3.133
  365   HG21  VAL  44          HG21      VAL  44 -13.980  -5.459  -1.581
  366   HG22  VAL  44          HG22      VAL  44 -13.281  -4.234  -0.518
  367   HG23  VAL  44          HG23      VAL  44 -12.260  -5.498  -1.207
  368    H    LYS  45           HN       LYS  45 -13.875  -6.745  -3.046
  369    HA   LYS  45           HA       LYS  45 -16.262  -6.274  -4.604
  370    HB2  LYS  45           HB2      LYS  45 -14.483  -8.673  -5.003
  371    HB3  LYS  45           HB1      LYS  45 -16.206  -8.742  -5.349
  372    HG2  LYS  45           HG2      LYS  45 -15.897  -6.870  -6.948
  373    HG3  LYS  45           HG1      LYS  45 -14.155  -6.974  -6.659
  374    HD2  LYS  45           HD2      LYS  45 -14.143  -9.268  -7.464
  375    HD3  LYS  45           HD1      LYS  45 -15.893  -9.224  -7.682
  376    HE2  LYS  45           HE2      LYS  45 -14.766  -8.912  -9.808
  377    HE3  LYS  45           HE1      LYS  45 -15.627  -7.446  -9.347
  378    HZ1  LYS  45           HZ1      LYS  45 -12.719  -7.911  -9.004
  379    HZ2  LYS  45           HZ2      LYS  45 -13.551  -6.497  -8.589
  380    HZ3  LYS  45           HZ3      LYS  45 -13.428  -6.960 -10.211
  381    H    THR  46           HN       THR  46 -18.018  -6.944  -3.461
  382    HA   THR  46           HA       THR  46 -17.724  -9.155  -1.603
  383    HB   THR  46           HB       THR  46 -17.218  -7.390  -0.092
  384    HG1  THR  46           HG1      THR  46 -18.681  -7.904   1.393
  385   HG21  THR  46          HG21      THR  46 -19.670  -5.973  -1.126
  386   HG22  THR  46          HG22      THR  46 -17.992  -5.468  -1.326
  387   HG23  THR  46          HG23      THR  46 -18.728  -5.468   0.276
  388    H    TYR  47           HN       TYR  47 -19.165 -10.443  -2.531
  389    HA   TYR  47           HA       TYR  47 -21.928  -9.427  -2.670
  390    HB2  TYR  47           HB2      TYR  47 -20.747 -11.751  -4.223
  391    HB3  TYR  47           HB1      TYR  47 -22.379 -11.106  -4.380
  392    HD1  TYR  47           HD1      TYR  47 -18.956 -10.825  -5.459
  393    HD2  TYR  47           HD2      TYR  47 -22.666  -8.760  -5.258
  394    HE1  TYR  47           HE1      TYR  47 -18.163  -9.247  -7.173
  395    HE2  TYR  47           HE2      TYR  47 -21.889  -7.180  -6.970
  396    HH   TYR  47           HH       TYR  47 -19.843  -6.337  -7.895
  397    H    SER  48           HN       SER  48 -21.591  -9.842  -0.352
  398    HA   SER  48           HA       SER  48 -22.694 -12.305   0.522
  399    HB2  SER  48           HB2      SER  48 -19.772 -11.772   1.137
  400    HB3  SER  48           HB1      SER  48 -20.753 -12.995   1.937
  401    HG   SER  48           HG       SER  48 -20.945 -13.243  -0.741
  402    H    ASN  49           HN       ASN  49 -22.158 -12.228   3.194
  403    HA   ASN  49           HA       ASN  49 -23.769 -10.008   3.890
  404    HB2  ASN  49           HB2      ASN  49 -22.315 -11.996   5.637
  405    HB3  ASN  49           HB1      ASN  49 -23.460 -10.802   6.239
  406   HD21  ASN  49          HD21      ASN  49 -25.652 -10.988   5.651
  407   HD22  ASN  49          HD22      ASN  49 -26.310 -12.499   5.129
  408    H    SER  50           HN       SER  50 -20.445 -10.785   5.030
  409    HA   SER  50           HA       SER  50 -20.056  -7.916   5.332
  410    HB2  SER  50           HB2      SER  50 -20.708  -8.838   7.523
  411    HB3  SER  50           HB1      SER  50 -19.335  -9.936   7.453
  412    HG   SER  50           HG       SER  50 -17.957  -8.137   7.487
  413    H    ALA  51           HN       ALA  51 -19.062 -10.246   3.661
  414    HA   ALA  51           HA       ALA  51 -16.256 -10.505   4.079
  415    HB1  ALA  51           HB1      ALA  51 -18.150 -11.444   2.147
  416    HB2  ALA  51           HB2      ALA  51 -16.541 -12.067   2.521
  417    HB3  ALA  51           HB3      ALA  51 -16.732 -10.760   1.328
  418    H    THR  52           HN       THR  52 -14.534  -9.582   2.736
  419    HA   THR  52           HA       THR  52 -15.375  -7.997   0.668
  420    HB   THR  52           HB       THR  52 -13.251  -6.523   1.862
  421    HG1  THR  52           HG1      THR  52 -15.211  -7.500   3.420
  422   HG21  THR  52          HG21      THR  52 -14.818  -5.641   0.157
  423   HG22  THR  52          HG22      THR  52 -14.812  -4.648   1.611
  424   HG23  THR  52          HG23      THR  52 -16.133  -5.778   1.320
  425    H    LYS  53           HN       LYS  53 -14.260  -8.695  -1.079
  426    HA   LYS  53           HA       LYS  53 -11.608  -9.862  -0.690
  427    HB2  LYS  53           HB2      LYS  53 -13.320  -9.791  -3.179
  428    HB3  LYS  53           HB1      LYS  53 -11.940 -10.820  -2.871
  429    HG2  LYS  53           HG2      LYS  53 -13.149 -12.069  -1.223
  430    HG3  LYS  53           HG1      LYS  53 -14.512 -10.952  -1.330
  431    HD2  LYS  53           HD2      LYS  53 -14.735 -11.588  -3.737
  432    HD3  LYS  53           HD1      LYS  53 -13.513 -12.830  -3.466
  433    HE2  LYS  53           HE2      LYS  53 -16.128 -12.619  -1.981
  434    HE3  LYS  53           HE1      LYS  53 -15.832 -13.690  -3.348
  435    HZ1  LYS  53           HZ1      LYS  53 -15.607 -14.844  -1.246
  436    HZ2  LYS  53           HZ2      LYS  53 -14.402 -13.771  -0.749
  437    HZ3  LYS  53           HZ3      LYS  53 -14.123 -14.806  -2.056
  438    H    ILE  54           HN       ILE  54  -9.815  -8.827  -1.308
  439    HA   ILE  54           HA       ILE  54 -10.214  -6.260  -2.675
  440    HB   ILE  54           HB       ILE  54  -8.113  -5.579  -1.340
  441   HG12  ILE  54          HG12      ILE  54  -8.021  -8.056  -0.416
  442   HG13  ILE  54          HG11      ILE  54  -7.536  -6.690   0.576
  443   HG21  ILE  54          HG21      ILE  54  -9.558  -4.732   0.400
  444   HG22  ILE  54          HG22      ILE  54 -10.804  -5.891  -0.097
  445   HG23  ILE  54          HG23      ILE  54 -10.272  -4.613  -1.217
  446   HD11  ILE  54          HD11      ILE  54 -10.254  -7.979   0.659
  447   HD12  ILE  54          HD12      ILE  54  -9.631  -6.734   1.742
  448   HD13  ILE  54          HD13      ILE  54  -8.929  -8.349   1.761
  449    H    GLU  55           HN       GLU  55  -8.499  -5.355  -3.764
  450    HA   GLU  55           HA       GLU  55  -6.081  -6.914  -4.165
  451    HB2  GLU  55           HB2      GLU  55  -8.049  -6.136  -6.273
  452    HB3  GLU  55           HB1      GLU  55  -6.336  -6.103  -6.618
  453    HG2  GLU  55           HG2      GLU  55  -6.150  -8.459  -6.125
  454    HG3  GLU  55           HG1      GLU  55  -7.847  -8.509  -5.654
  455    H    VAL  56           HN       VAL  56  -4.679  -5.470  -3.469
  456    HA   VAL  56           HA       VAL  56  -5.138  -2.623  -4.060
  457    HB   VAL  56           HB       VAL  56  -4.550  -2.355  -1.853
  458   HG11  VAL  56          HG11      VAL  56  -3.610  -4.166  -0.543
  459   HG12  VAL  56          HG12      VAL  56  -3.475  -5.105  -2.028
  460   HG13  VAL  56          HG13      VAL  56  -5.058  -4.612  -1.440
  461   HG21  VAL  56          HG21      VAL  56  -1.782  -3.344  -2.650
  462   HG22  VAL  56          HG22      VAL  56  -2.161  -2.249  -1.331
  463   HG23  VAL  56          HG23      VAL  56  -2.368  -1.723  -2.995
  464    H    THR  57           HN       THR  57  -3.722  -1.549  -5.139
  465    HA   THR  57           HA       THR  57  -1.008  -2.551  -5.306
  466    HB   THR  57           HB       THR  57  -2.411  -1.678  -7.864
  467    HG1  THR  57           HG1      THR  57  -2.567  -4.030  -6.661
  468   HG21  THR  57          HG21      THR  57   0.001  -1.231  -7.766
  469   HG22  THR  57          HG22      THR  57  -0.390  -2.456  -8.971
  470   HG23  THR  57          HG23      THR  57   0.292  -2.934  -7.418
  471    H    ILE  58           HN       ILE  58  -0.055  -0.961  -4.455
  472    HA   ILE  58           HA       ILE  58  -1.028   1.818  -4.752
  473    HB   ILE  58           HB       ILE  58   0.165   0.189  -2.508
  474   HG12  ILE  58          HG12      ILE  58  -2.305   1.923  -2.582
  475   HG13  ILE  58          HG11      ILE  58  -2.294   0.190  -2.878
  476   HG21  ILE  58          HG21      ILE  58   0.227   2.241  -1.114
  477   HG22  ILE  58          HG22      ILE  58  -0.141   3.203  -2.545
  478   HG23  ILE  58          HG23      ILE  58   1.375   2.304  -2.451
  479   HD11  ILE  58          HD11      ILE  58  -2.999   0.701  -0.616
  480   HD12  ILE  58          HD12      ILE  58  -1.488   1.563  -0.325
  481   HD13  ILE  58          HD13      ILE  58  -1.470  -0.178  -0.608
  482    HA   PRO  59           HA       PRO  59   3.302   1.904  -6.530
  483    HB2  PRO  59           HB2      PRO  59   1.987   3.961  -8.220
  484    HB3  PRO  59           HB1      PRO  59   2.968   2.561  -8.699
  485    HG2  PRO  59           HG2      PRO  59   0.343   2.586  -9.108
  486    HG3  PRO  59           HG1      PRO  59   1.158   1.103  -8.568
  487    HD2  PRO  59           HD2      PRO  59  -0.351   3.118  -6.933
  488    HD3  PRO  59           HD1      PRO  59  -0.504   1.350  -6.931
  489    H    LEU  60           HN       LEU  60   4.279   2.989  -4.794
  490    HA   LEU  60           HA       LEU  60   4.022   5.881  -4.681
  491    HB2  LEU  60           HB2      LEU  60   5.659   3.815  -3.244
  492    HB3  LEU  60           HB1      LEU  60   6.152   5.486  -3.212
  493    HG   LEU  60           HG       LEU  60   3.873   6.031  -2.254
  494   HD11  LEU  60          HD11      LEU  60   2.727   3.995  -2.931
  495   HD12  LEU  60          HD12      LEU  60   2.664   4.207  -1.181
  496   HD13  LEU  60          HD13      LEU  60   3.784   3.043  -1.888
  497   HD21  LEU  60          HD21      LEU  60   5.704   4.235  -0.672
  498   HD22  LEU  60          HD22      LEU  60   4.500   5.329   0.006
  499   HD23  LEU  60          HD23      LEU  60   5.879   5.977  -0.883
  500    H    LYS  61           HN       LYS  61   6.394   7.009  -4.795
  501    HA   LYS  61           HA       LYS  61   7.576   6.644  -7.317
  502    HB2  LYS  61           HB2      LYS  61   9.093   7.371  -4.830
  503    HB3  LYS  61           HB1      LYS  61   9.452   7.854  -6.484
  504    HG2  LYS  61           HG2      LYS  61   7.509   9.310  -6.531
  505    HG3  LYS  61           HG1      LYS  61   7.080   8.814  -4.893
  506    HD2  LYS  61           HD2      LYS  61   8.267  11.009  -5.025
  507    HD3  LYS  61           HD1      LYS  61   9.058   9.816  -3.995
  508    HE2  LYS  61           HE2      LYS  61  10.700  10.983  -5.344
  509    HE3  LYS  61           HE1      LYS  61  10.613   9.292  -5.824
  510    HZ1  LYS  61           HZ1      LYS  61  10.718  10.707  -7.753
  511    HZ2  LYS  61           HZ2      LYS  61   9.363  11.580  -7.245
  512    HZ3  LYS  61           HZ3      LYS  61   9.202   9.960  -7.695
  513    H    ASN  62           HN       ASN  62   8.364   5.549  -4.113
  514    HA   ASN  62           HA       ASN  62  10.776   4.414  -4.772
  515    HB2  ASN  62           HB2      ASN  62   9.108   3.947  -2.420
  516    HB3  ASN  62           HB1      ASN  62  10.782   3.482  -2.537
  517   HD21  ASN  62          HD21      ASN  62  12.216   5.324  -3.230
  518   HD22  ASN  62          HD22      ASN  62  11.968   6.833  -2.412
  519    H    VAL  63           HN       VAL  63   7.845   2.811  -3.637
  520    HA   VAL  63           HA       VAL  63   8.406   0.507  -5.344
  521    HB   VAL  63           HB       VAL  63   9.341   0.110  -3.089
  522   HG11  VAL  63          HG11      VAL  63   7.828  -0.240  -1.185
  523   HG12  VAL  63          HG12      VAL  63   6.491   0.361  -2.168
  524   HG13  VAL  63          HG13      VAL  63   7.832   1.430  -1.757
  525   HG21  VAL  63          HG21      VAL  63   8.300  -2.084  -2.702
  526   HG22  VAL  63          HG22      VAL  63   8.643  -1.793  -4.407
  527   HG23  VAL  63          HG23      VAL  63   6.994  -1.637  -3.799
  528    H    THR  64           HN       THR  64   6.561  -0.841  -5.700
  529    HA   THR  64           HA       THR  64   3.964   0.495  -5.254
  530    HB   THR  64           HB       THR  64   4.820  -1.365  -7.488
  531    HG1  THR  64           HG1      THR  64   5.586   0.826  -7.640
  532   HG21  THR  64          HG21      THR  64   2.619  -0.895  -8.469
  533   HG22  THR  64          HG22      THR  64   2.176   0.016  -7.027
  534   HG23  THR  64          HG23      THR  64   2.478  -1.716  -6.915
  535    H    LEU  65           HN       LEU  65   2.776  -0.598  -3.701
  536    HA   LEU  65           HA       LEU  65   3.354  -3.452  -3.359
  537    HB2  LEU  65           HB2      LEU  65   1.930  -1.518  -1.545
  538    HB3  LEU  65           HB1      LEU  65   1.826  -3.247  -1.341
  539    HG   LEU  65           HG       LEU  65   4.461  -3.128  -1.457
  540   HD11  LEU  65          HD11      LEU  65   4.674  -0.722  -1.738
  541   HD12  LEU  65          HD12      LEU  65   5.359  -1.210  -0.179
  542   HD13  LEU  65          HD13      LEU  65   3.764  -0.445  -0.255
  543   HD21  LEU  65          HD21      LEU  65   2.757  -2.608   0.960
  544   HD22  LEU  65          HD22      LEU  65   4.451  -3.101   1.018
  545   HD23  LEU  65          HD23      LEU  65   3.246  -4.167   0.298
  546    H    ARG  66           HN       ARG  66   2.114  -4.975  -3.798
  547    HA   ARG  66           HA       ARG  66  -0.689  -4.338  -4.378
  548    HB2  ARG  66           HB2      ARG  66   0.332  -4.896  -6.359
  549    HB3  ARG  66           HB1      ARG  66   1.196  -6.263  -5.702
  550    HG2  ARG  66           HG2      ARG  66  -0.672  -7.610  -5.679
  551    HG3  ARG  66           HG1      ARG  66  -1.785  -6.244  -5.648
  552    HD2  ARG  66           HD2      ARG  66  -1.345  -5.768  -7.951
  553    HD3  ARG  66           HD1      ARG  66  -0.087  -7.005  -8.015
  554    HE   ARG  66           HE       ARG  66  -1.760  -8.681  -7.861
  555   HH11  ARG  66          HH11      ARG  66  -3.073  -5.442  -8.215
  556   HH12  ARG  66          HH12      ARG  66  -4.652  -6.002  -8.666
  557   HH21  ARG  66          HH21      ARG  66  -3.839  -9.408  -8.408
  558   HH22  ARG  66          HH22      ARG  66  -5.109  -8.258  -8.725
  559    H    ALA  67           HN       ALA  67  -2.168  -5.519  -3.418
  560    HA   ALA  67           HA       ALA  67  -1.439  -8.154  -2.313
  561    HB1  ALA  67           HB1      ALA  67  -2.867  -7.683  -0.255
  562    HB2  ALA  67           HB2      ALA  67  -2.674  -5.972  -0.646
  563    HB3  ALA  67           HB3      ALA  67  -1.265  -6.966  -0.306
  564    H    GLU  68           HN       GLU  68  -2.700  -9.537  -3.249
  565    HA   GLU  68           HA       GLU  68  -5.463  -8.762  -3.857
  566    HB2  GLU  68           HB2      GLU  68  -5.344 -10.817  -5.401
  567    HB3  GLU  68           HB1      GLU  68  -4.478  -9.370  -5.888
  568    HG2  GLU  68           HG2      GLU  68  -2.398 -10.354  -5.011
  569    HG3  GLU  68           HG1      GLU  68  -3.288 -11.829  -4.631
  570    H    GLU  69           HN       GLU  69  -6.577  -9.241  -2.088
  571    HA   GLU  69           HA       GLU  69  -6.282 -11.934  -0.927
  572    HB2  GLU  69           HB2      GLU  69  -6.653  -9.307   0.523
  573    HB3  GLU  69           HB1      GLU  69  -6.729 -10.887   1.288
  574    HG2  GLU  69           HG2      GLU  69  -4.322  -9.780  -0.134
  575    HG3  GLU  69           HG1      GLU  69  -4.577  -9.748   1.611
  576    H    ARG  70           HN       ARG  70  -8.142 -12.917  -1.580
  577    HA   ARG  70           HA       ARG  70 -10.684 -11.525  -1.322
  578    HB2  ARG  70           HB2      ARG  70 -10.021 -14.382  -2.083
  579    HB3  ARG  70           HB1      ARG  70 -11.641 -13.701  -2.084
  580    HG2  ARG  70           HG2      ARG  70 -11.124 -12.229  -3.860
  581    HG3  ARG  70           HG1      ARG  70  -9.399 -12.558  -3.719
  582    HD2  ARG  70           HD2      ARG  70 -11.484 -14.578  -4.519
  583    HD3  ARG  70           HD1      ARG  70 -10.455 -13.692  -5.644
  584    HE   ARG  70           HE       ARG  70  -8.955 -15.085  -3.643
  585   HH11  ARG  70          HH11      ARG  70 -10.595 -15.449  -6.715
  586   HH12  ARG  70          HH12      ARG  70  -9.647 -16.816  -7.199
  587   HH21  ARG  70          HH21      ARG  70  -7.706 -16.877  -4.273
  588   HH22  ARG  70          HH22      ARG  70  -8.001 -17.630  -5.808
  589    H    ASN  71           HN       ASN  71 -10.341 -11.105   0.966
  590    HA   ASN  71           HA       ASN  71 -10.540 -13.495   2.676
  591    HB2  ASN  71           HB2      ASN  71  -9.240 -10.829   3.280
  592    HB3  ASN  71           HB1      ASN  71  -9.373 -12.141   4.418
  593   HD21  ASN  71          HD21      ASN  71  -7.147 -10.970   3.865
  594   HD22  ASN  71          HD22      ASN  71  -6.153 -12.072   3.056
  595    H    ASP  72           HN       ASP  72 -11.034 -12.124   5.077
  596    HA   ASP  72           HA       ASP  72 -13.889 -11.841   4.817
  597    HB2  ASP  72           HB2      ASP  72 -12.820 -13.102   6.672
  598    HB3  ASP  72           HB1      ASP  72 -12.126 -11.599   7.266
  599    H    ASP  73           HN       ASP  73 -11.370  -9.815   6.315
  600    HA   ASP  73           HA       ASP  73 -13.077  -7.419   5.930
  601    HB2  ASP  73           HB2      ASP  73 -10.855  -8.105   7.830
  602    HB3  ASP  73           HB1      ASP  73 -11.168  -6.423   7.425
  603    H    LEU  74           HN       LEU  74 -12.864  -6.554   4.242
  604    HA   LEU  74           HA       LEU  74 -11.072  -5.813   2.501
  605    HB2  LEU  74           HB2      LEU  74 -13.191  -4.733   2.722
  606    HB3  LEU  74           HB1      LEU  74 -12.763  -4.276   4.369
  607    HG   LEU  74           HG       LEU  74 -11.309  -2.530   3.584
  608   HD11  LEU  74          HD11      LEU  74 -10.281  -3.381   1.677
  609   HD12  LEU  74          HD12      LEU  74 -11.257  -2.027   1.097
  610   HD13  LEU  74          HD13      LEU  74 -11.821  -3.685   0.873
  611   HD21  LEU  74          HD21      LEU  74 -12.916  -1.076   2.457
  612   HD22  LEU  74          HD22      LEU  74 -13.671  -1.985   3.765
  613   HD23  LEU  74          HD23      LEU  74 -13.925  -2.475   2.090
  614    H    TYR  75           HN       TYR  75 -11.230  -4.445   5.732
  615    HA   TYR  75           HA       TYR  75  -9.043  -2.828   5.033
  616    HB2  TYR  75           HB2      TYR  75 -11.063  -2.571   7.009
  617    HB3  TYR  75           HB1      TYR  75  -9.462  -2.368   7.753
  618    HD1  TYR  75           HD1      TYR  75 -12.028  -0.978   5.989
  619    HD2  TYR  75           HD2      TYR  75  -7.852  -1.006   6.436
  620    HE1  TYR  75           HE1      TYR  75 -11.915   1.129   4.924
  621    HE2  TYR  75           HE2      TYR  75  -7.708   1.116   5.374
  622    HH   TYR  75           HH       TYR  75  -9.021   2.493   3.744
  623    H    ALA  76           HN       ALA  76  -9.448  -5.852   6.235
  624    HA   ALA  76           HA       ALA  76  -6.956  -6.070   7.675
  625    HB1  ALA  76           HB1      ALA  76  -7.454  -8.422   7.735
  626    HB2  ALA  76           HB2      ALA  76  -8.700  -8.218   6.499
  627    HB3  ALA  76           HB3      ALA  76  -8.934  -7.533   8.112
  628    H    GLY  77           HN       GLY  77  -8.327  -6.513   4.464
  629    HA2  GLY  77           HA2      GLY  77  -6.015  -7.776   3.342
  630    HA3  GLY  77           HA1      GLY  77  -7.343  -6.986   2.492
  631    H    ILE  78           HN       ILE  78  -7.290  -4.489   3.194
  632    HA   ILE  78           HA       ILE  78  -5.088  -3.390   1.948
  633    HB   ILE  78           HB       ILE  78  -7.395  -2.178   3.468
  634   HG12  ILE  78          HG12      ILE  78  -6.607  -2.228   0.549
  635   HG13  ILE  78          HG11      ILE  78  -7.895  -3.165   1.299
  636   HG21  ILE  78          HG21      ILE  78  -5.198  -0.668   2.050
  637   HG22  ILE  78          HG22      ILE  78  -5.498  -0.676   3.788
  638   HG23  ILE  78          HG23      ILE  78  -6.685   0.033   2.691
  639   HD11  ILE  78          HD11      ILE  78  -7.809  -0.167   1.044
  640   HD12  ILE  78          HD12      ILE  78  -9.097  -1.100   1.807
  641   HD13  ILE  78          HD13      ILE  78  -8.787  -1.273   0.079
  642    H    ASP  79           HN       ASP  79  -5.837  -3.843   5.447
  643    HA   ASP  79           HA       ASP  79  -3.419  -2.424   6.311
  644    HB2  ASP  79           HB2      ASP  79  -5.657  -3.637   7.641
  645    HB3  ASP  79           HB1      ASP  79  -4.133  -4.207   8.308
  646    H    LEU  80           HN       LEU  80  -4.168  -5.681   5.346
  647    HA   LEU  80           HA       LEU  80  -1.668  -6.710   6.073
  648    HB2  LEU  80           HB2      LEU  80  -3.551  -8.016   5.011
  649    HB3  LEU  80           HB1      LEU  80  -3.141  -7.256   3.491
  650    HG   LEU  80           HG       LEU  80  -0.886  -8.282   3.615
  651   HD11  LEU  80          HD11      LEU  80  -0.714  -8.556   6.020
  652   HD12  LEU  80          HD12      LEU  80  -0.511 -10.104   5.205
  653   HD13  LEU  80          HD13      LEU  80  -2.037  -9.722   5.999
  654   HD21  LEU  80          HD21      LEU  80  -1.643 -10.576   3.118
  655   HD22  LEU  80          HD22      LEU  80  -2.596  -9.339   2.300
  656   HD23  LEU  80          HD23      LEU  80  -3.243 -10.151   3.727
  657    H    ILE  81           HN       ILE  81  -2.734  -5.256   3.004
  658    HA   ILE  81           HA       ILE  81  -0.109  -4.907   2.062
  659    HB   ILE  81           HB       ILE  81  -2.440  -4.749   0.835
  660   HG12  ILE  81          HG12      ILE  81  -1.200  -4.172  -1.066
  661   HG13  ILE  81          HG11      ILE  81  -0.252  -2.969  -0.206
  662   HG21  ILE  81          HG21      ILE  81  -1.711  -1.843   1.120
  663   HG22  ILE  81          HG22      ILE  81  -3.017  -2.622   2.006
  664   HG23  ILE  81          HG23      ILE  81  -3.084  -2.526   0.250
  665   HD11  ILE  81          HD11      ILE  81   1.180  -4.579   0.686
  666   HD12  ILE  81          HD12      ILE  81   0.915  -5.102  -0.977
  667   HD13  ILE  81          HD13      ILE  81   0.064  -5.896   0.345
  668    H    ASN  82           HN       ASN  82  -2.002  -2.794   4.111
  669    HA   ASN  82           HA       ASN  82  -0.508  -0.403   3.570
  670    HB2  ASN  82           HB2      ASN  82  -2.891  -0.539   4.445
  671    HB3  ASN  82           HB1      ASN  82  -2.217  -1.036   5.985
  672   HD21  ASN  82          HD21      ASN  82   0.089   0.881   5.597
  673   HD22  ASN  82          HD22      ASN  82  -0.599   2.421   5.975
  674    H    ASN  83           HN       ASN  83  -0.555  -2.888   5.996
  675    HA   ASN  83           HA       ASN  83   1.374  -1.555   7.661
  676    HB2  ASN  83           HB2      ASN  83   0.360  -2.872   9.169
  677    HB3  ASN  83           HB1      ASN  83  -0.680  -3.466   7.837
  678   HD21  ASN  83          HD21      ASN  83   2.104  -4.103   9.868
  679   HD22  ASN  83          HD22      ASN  83   2.257  -5.781   9.477
  680    H    LYS  84           HN       LYS  84   1.211  -4.300   5.456
  681    HA   LYS  84           HA       LYS  84   3.979  -4.915   5.416
  682    HB2  LYS  84           HB2      LYS  84   2.181  -6.338   4.428
  683    HB3  LYS  84           HB1      LYS  84   1.974  -5.143   3.159
  684    HG2  LYS  84           HG2      LYS  84   3.271  -6.932   2.290
  685    HG3  LYS  84           HG1      LYS  84   4.336  -5.541   2.490
  686    HD2  LYS  84           HD2      LYS  84   5.265  -6.468   4.499
  687    HD3  LYS  84           HD1      LYS  84   4.085  -7.783   4.490
  688    HE2  LYS  84           HE2      LYS  84   6.201  -7.300   2.394
  689    HE3  LYS  84           HE1      LYS  84   6.283  -8.511   3.675
  690    HZ1  LYS  84           HZ1      LYS  84   4.256  -8.412   1.504
  691    HZ2  LYS  84           HZ2      LYS  84   4.308  -9.562   2.743
  692    HZ3  LYS  84           HZ3      LYS  84   5.551  -9.491   1.601
  693    H    LEU  85           HN       LEU  85   2.044  -2.417   3.956
  694    HA   LEU  85           HA       LEU  85   3.912  -1.439   2.088
  695    HB2  LEU  85           HB2      LEU  85   1.563  -0.774   2.014
  696    HB3  LEU  85           HB1      LEU  85   1.706  -0.004   3.578
  697    HG   LEU  85           HG       LEU  85   3.441   0.996   1.362
  698   HD11  LEU  85          HD11      LEU  85   1.252   0.776   0.314
  699   HD12  LEU  85          HD12      LEU  85   1.640   2.471   0.604
  700   HD13  LEU  85          HD13      LEU  85   0.508   1.630   1.664
  701   HD21  LEU  85          HD21      LEU  85   3.077   3.123   2.492
  702   HD22  LEU  85          HD22      LEU  85   3.641   1.908   3.640
  703   HD23  LEU  85          HD23      LEU  85   1.936   2.360   3.599
  704    H    GLU  86           HN       GLU  86   3.133  -0.361   5.396
  705    HA   GLU  86           HA       GLU  86   5.172   1.439   5.767
  706    HB2  GLU  86           HB2      GLU  86   3.979  -0.633   7.590
  707    HB3  GLU  86           HB1      GLU  86   5.171   0.529   8.164
  708    HG2  GLU  86           HG2      GLU  86   3.647   2.350   7.515
  709    HG3  GLU  86           HG1      GLU  86   2.457   1.146   7.017
  710    H    ARG  87           HN       ARG  87   5.183  -2.080   6.224
  711    HA   ARG  87           HA       ARG  87   7.866  -2.303   6.965
  712    HB2  ARG  87           HB2      ARG  87   6.133  -3.979   7.342
  713    HB3  ARG  87           HB1      ARG  87   6.232  -4.326   5.646
  714    HG2  ARG  87           HG2      ARG  87   8.520  -5.063   5.854
  715    HG3  ARG  87           HG1      ARG  87   8.501  -4.631   7.565
  716    HD2  ARG  87           HD2      ARG  87   6.597  -6.257   7.830
  717    HD3  ARG  87           HD1      ARG  87   6.932  -6.796   6.188
  718    HE   ARG  87           HE       ARG  87   9.321  -7.108   7.275
  719   HH11  ARG  87          HH11      ARG  87   6.166  -7.900   8.554
  720   HH12  ARG  87          HH12      ARG  87   6.744  -9.218   9.522
  721   HH21  ARG  87          HH21      ARG  87  10.099  -8.849   8.566
  722   HH22  ARG  87          HH22      ARG  87   8.978  -9.759   9.528
  723    H    GLN  88           HN       GLN  88   6.435  -2.222   3.746
  724    HA   GLN  88           HA       GLN  88   8.864  -3.404   2.588
  725    HB2  GLN  88           HB2      GLN  88   6.400  -4.009   1.887
  726    HB3  GLN  88           HB1      GLN  88   6.489  -2.511   0.985
  727    HG2  GLN  88           HG2      GLN  88   8.290  -3.294  -0.340
  728    HG3  GLN  88           HG1      GLN  88   8.504  -4.716   0.679
  729   HE21  GLN  88          HE21      GLN  88   7.061  -6.419   0.512
  730   HE22  GLN  88          HE22      GLN  88   6.001  -6.600  -0.841
  731    H    VAL  89           HN       VAL  89   6.880  -0.582   2.629
  732    HA   VAL  89           HA       VAL  89   8.249   0.978   0.829
  733    HB   VAL  89           HB       VAL  89   6.421   1.473   3.096
  734   HG11  VAL  89          HG11      VAL  89   7.953   3.700   1.710
  735   HG12  VAL  89          HG12      VAL  89   8.079   3.258   3.412
  736   HG13  VAL  89          HG13      VAL  89   6.574   3.929   2.785
  737   HG21  VAL  89          HG21      VAL  89   5.127   2.610   1.331
  738   HG22  VAL  89          HG22      VAL  89   5.544   0.951   0.900
  739   HG23  VAL  89          HG23      VAL  89   6.435   2.296   0.189
  740    H    ARG  90           HN       ARG  90   8.568   0.638   4.318
  741    HA   ARG  90           HA       ARG  90  10.902   2.331   4.405
  742    HB2  ARG  90           HB2      ARG  90  11.136   1.841   6.715
  743    HB3  ARG  90           HB1      ARG  90   9.424   2.087   6.391
  744    HG2  ARG  90           HG2      ARG  90   9.158  -0.391   6.334
  745    HG3  ARG  90           HG1      ARG  90  10.843  -0.526   6.845
  746    HD2  ARG  90           HD2      ARG  90   9.269  -0.693   8.733
  747    HD3  ARG  90           HD1      ARG  90  10.357   0.685   8.884
  748    HE   ARG  90           HE       ARG  90   8.153   1.720   7.666
  749   HH11  ARG  90          HH11      ARG  90   8.669  -0.108  10.603
  750   HH12  ARG  90          HH12      ARG  90   7.334   0.619  11.440
  751   HH21  ARG  90          HH21      ARG  90   6.415   2.695   8.769
  752   HH22  ARG  90          HH22      ARG  90   6.052   2.220  10.398
  753    H    LYS  91           HN       LYS  91  10.351  -1.112   4.064
  754    HA   LYS  91           HA       LYS  91  12.968  -2.027   4.459
  755    HB2  LYS  91           HB2      LYS  91  10.620  -3.149   3.571
  756    HB3  LYS  91           HB1      LYS  91  11.567  -3.112   2.098
  757    HG2  LYS  91           HG2      LYS  91  12.490  -4.369   4.669
  758    HG3  LYS  91           HG1      LYS  91  11.728  -5.243   3.342
  759    HD2  LYS  91           HD2      LYS  91  13.550  -4.566   1.853
  760    HD3  LYS  91           HD1      LYS  91  14.310  -3.689   3.183
  761    HE2  LYS  91           HE2      LYS  91  15.340  -5.882   2.846
  762    HE3  LYS  91           HE1      LYS  91  14.566  -5.765   4.426
  763    HZ1  LYS  91           HZ1      LYS  91  14.051  -7.869   3.436
  764    HZ2  LYS  91           HZ2      LYS  91  13.488  -7.132   2.025
  765    HZ3  LYS  91           HZ3      LYS  91  12.639  -6.938   3.471
  766    H    TYR  92           HN       TYR  92  11.312  -0.778   1.644
  767    HA   TYR  92           HA       TYR  92  13.482  -0.965  -0.140
  768    HB2  TYR  92           HB2      TYR  92  11.002  -0.774  -0.677
  769    HB3  TYR  92           HB1      TYR  92  11.169   0.955  -0.379
  770    HD1  TYR  92           HD1      TYR  92  11.691  -1.723  -2.735
  771    HD2  TYR  92           HD2      TYR  92  12.724   2.304  -1.832
  772    HE1  TYR  92           HE1      TYR  92  12.448  -1.404  -5.050
  773    HE2  TYR  92           HE2      TYR  92  13.482   2.634  -4.146
  774    HH   TYR  92           HH       TYR  92  12.774   0.464  -6.641
  775    H    LYS  93           HN       LYS  93  12.071   1.938   1.461
  776    HA   LYS  93           HA       LYS  93  14.046   3.651   0.376
  777    HB2  LYS  93           HB2      LYS  93  13.274   5.341   1.996
  778    HB3  LYS  93           HB1      LYS  93  11.957   4.601   1.103
  779    HG2  LYS  93           HG2      LYS  93  11.101   3.573   2.945
  780    HG3  LYS  93           HG1      LYS  93  12.665   3.469   3.755
  781    HD2  LYS  93           HD2      LYS  93  11.130   5.072   4.836
  782    HD3  LYS  93           HD1      LYS  93  12.610   5.831   4.253
  783    HE2  LYS  93           HE2      LYS  93  11.376   6.553   2.226
  784    HE3  LYS  93           HE1      LYS  93   9.901   5.892   2.930
  785    HZ1  LYS  93           HZ1      LYS  93  10.157   8.307   3.276
  786    HZ2  LYS  93           HZ2      LYS  93  11.555   8.012   4.186
  787    HZ3  LYS  93           HZ3      LYS  93  10.063   7.442   4.729
  788    H    THR  94           HN       THR  94  13.811   2.101   3.576
  789    HA   THR  94           HA       THR  94  16.116   3.405   4.578
  790    HB   THR  94           HB       THR  94  14.614   0.965   5.538
  791    HG1  THR  94           HG1      THR  94  14.764   3.694   6.328
  792   HG21  THR  94          HG21      THR  94  15.896   1.124   7.617
  793   HG22  THR  94          HG22      THR  94  16.879   2.414   6.928
  794   HG23  THR  94          HG23      THR  94  16.967   0.786   6.258
  795    H    ARG  95           HN       ARG  95  15.613   0.297   2.915
  796    HA   ARG  95           HA       ARG  95  18.304  -0.565   3.194
  797    HB2  ARG  95           HB2      ARG  95  16.474  -2.070   2.500
  798    HB3  ARG  95           HB1      ARG  95  16.343  -1.196   0.981
  799    HG2  ARG  95           HG2      ARG  95  18.640  -1.863   0.418
  800    HG3  ARG  95           HG1      ARG  95  18.723  -2.782   1.923
  801    HD2  ARG  95           HD2      ARG  95  16.812  -4.136   1.175
  802    HD3  ARG  95           HD1      ARG  95  16.788  -3.242  -0.342
  803    HE   ARG  95           HE       ARG  95  19.030  -4.953   0.528
  804   HH11  ARG  95          HH11      ARG  95  17.022  -3.576  -1.992
  805   HH12  ARG  95          HH12      ARG  95  17.760  -4.506  -3.257
  806   HH21  ARG  95          HH21      ARG  95  19.991  -6.179  -1.146
  807   HH22  ARG  95          HH22      ARG  95  19.443  -5.975  -2.778
  808    H    ILE  96           HN       ILE  96  16.633   1.097   0.498
  809    HA   ILE  96           HA       ILE  96  18.962   1.209  -1.098
  810    HB   ILE  96           HB       ILE  96  16.598   1.382  -1.955
  811   HG12  ILE  96          HG12      ILE  96  17.183   2.978  -3.772
  812   HG13  ILE  96          HG11      ILE  96  18.583   3.488  -2.835
  813   HG21  ILE  96          HG21      ILE  96  15.774   3.063  -0.390
  814   HG22  ILE  96          HG22      ILE  96  15.559   3.582  -2.061
  815   HG23  ILE  96          HG23      ILE  96  16.868   4.257  -1.090
  816   HD11  ILE  96          HD11      ILE  96  19.154   1.897  -4.608
  817   HD12  ILE  96          HD12      ILE  96  18.108   0.697  -3.850
  818   HD13  ILE  96          HD13      ILE  96  19.541   1.279  -3.003
  819    H    ASN  97           HN       ASN  97  17.734   3.348   1.391
  820    HA   ASN  97           HA       ASN  97  19.590   5.447   0.614
  821    HB2  ASN  97           HB2      ASN  97  17.576   5.252   2.849
  822    HB3  ASN  97           HB1      ASN  97  18.688   6.606   2.686
  823   HD21  ASN  97          HD21      ASN  97  18.606   6.619  -0.217
  824   HD22  ASN  97          HD22      ASN  97  17.059   7.253  -0.657
  825    H    ARG  98           HN       ARG  98  19.142   3.338   3.470
  826    HA   ARG  98           HA       ARG  98  21.447   4.500   4.737
  827    HB2  ARG  98           HB2      ARG  98  19.385   3.642   5.928
  828    HB3  ARG  98           HB1      ARG  98  19.973   2.020   5.607
  829    HG2  ARG  98           HG2      ARG  98  20.617   2.551   7.815
  830    HG3  ARG  98           HG1      ARG  98  22.076   2.649   6.831
  831    HD2  ARG  98           HD2      ARG  98  20.399   5.055   7.499
  832    HD3  ARG  98           HD1      ARG  98  21.715   4.505   8.524
  833    HE   ARG  98           HE       ARG  98  23.232   4.972   6.702
  834   HH11  ARG  98          HH11      ARG  98  19.992   6.273   6.364
  835   HH12  ARG  98          HH12      ARG  98  20.480   7.545   5.292
  836   HH21  ARG  98          HH21      ARG  98  23.876   6.663   5.303
  837   HH22  ARG  98          HH22      ARG  98  22.687   7.761   4.683
  838    H    LYS  99           HN       LYS  99  20.803   1.572   2.904
  839    HA   LYS  99           HA       LYS  99  23.279   0.336   3.718
  840    HB2  LYS  99           HB2      LYS  99  21.194  -0.949   3.125
  841    HB3  LYS  99           HB1      LYS  99  21.458  -0.488   1.451
  842    HG2  LYS  99           HG2      LYS  99  22.263  -2.737   1.863
  843    HG3  LYS  99           HG1      LYS  99  23.600  -1.660   1.460
  844    HD2  LYS  99           HD2      LYS  99  24.224  -3.114   3.294
  845    HD3  LYS  99           HD1      LYS  99  24.131  -1.446   3.848
  846    HE2  LYS  99           HE2      LYS  99  21.847  -1.923   4.710
  847    HE3  LYS  99           HE1      LYS  99  22.080  -3.614   4.266
  848    HZ1  LYS  99           HZ1      LYS  99  23.965  -3.710   5.772
  849    HZ2  LYS  99           HZ2      LYS  99  22.573  -3.237   6.598
  850    HZ3  LYS  99           HZ3      LYS  99  23.747  -2.088   6.195
  851    H    SER 100           HN       SER 100  22.201   2.402   1.158
  852    HA   SER 100           HA       SER 100  24.520   1.878  -0.491
  853    HB2  SER 100           HB2      SER 100  22.390   4.001  -0.809
  854    HB3  SER 100           HB1      SER 100  23.581   3.526  -2.019
  855    HG   SER 100           HG       SER 100  21.214   2.337  -1.321
  856    H    ARG 101           HN       ARG 101  24.810   2.953   2.259
  857    HA   ARG 101           HA       ARG 101  25.808   5.620   2.015
  858    HB2  ARG 101           HB2      ARG 101  26.744   5.270   4.237
  859    HB3  ARG 101           HB1      ARG 101  25.097   4.658   4.185
  860    HG2  ARG 101           HG2      ARG 101  25.945   2.381   3.950
  861    HG3  ARG 101           HG1      ARG 101  27.599   2.992   3.992
  862    HD2  ARG 101           HD2      ARG 101  27.098   3.945   6.251
  863    HD3  ARG 101           HD1      ARG 101  25.546   3.111   6.194
  864    HE   ARG 101           HE       ARG 101  27.714   1.329   5.707
  865   HH11  ARG 101          HH11      ARG 101  25.978   2.985   8.257
  866   HH12  ARG 101          HH12      ARG 101  26.432   1.847   9.485
  867   HH21  ARG 101          HH21      ARG 101  28.321  -0.171   7.323
  868   HH22  ARG 101          HH22      ARG 101  27.770   0.050   8.952
  869    H    ASP 102           HN       ASP 102  26.925   2.505   1.252
  870    HA   ASP 102           HA       ASP 102  29.363   3.583   0.132
  871    HB2  ASP 102           HB2      ASP 102  30.815   1.881   1.138
  872    HB3  ASP 102           HB1      ASP 102  30.087   2.883   2.384
  873    H    ARG 103           HN       ARG 103  30.499   1.076  -0.554
  874    HA   ARG 103           HA       ARG 103  28.678   0.467  -2.725
  875    HB2  ARG 103           HB2      ARG 103  31.525  -0.380  -2.194
  876    HB3  ARG 103           HB1      ARG 103  30.613  -0.818  -3.634
  877    HG2  ARG 103           HG2      ARG 103  31.259   1.994  -2.773
  878    HG3  ARG 103           HG1      ARG 103  32.113   1.080  -4.018
  879    HD2  ARG 103           HD2      ARG 103  29.180   1.789  -4.076
  880    HD3  ARG 103           HD1      ARG 103  30.448   2.640  -4.956
  881    HE   ARG 103           HE       ARG 103  30.855   0.460  -6.109
  882   HH11  ARG 103          HH11      ARG 103  27.709   1.141  -4.710
  883   HH12  ARG 103          HH12      ARG 103  26.859   0.116  -5.815
  884   HH21  ARG 103          HH21      ARG 103  29.738  -0.864  -7.569
  885   HH22  ARG 103          HH22      ARG 103  28.017  -1.021  -7.455
  886    H    GLY 104           HN       GLY 104  28.798  -0.672   0.273
  887    HA2  GLY 104           HA2      GLY 104  28.740  -3.508  -0.218
  888    HA3  GLY 104           HA1      GLY 104  28.338  -2.696   1.287
  889    H    ASP 105           HN       ASP 105  26.642  -1.262  -1.189
  890    HA   ASP 105           HA       ASP 105  24.152  -2.297  -0.279
  891    HB2  ASP 105           HB2      ASP 105  23.127  -0.849  -1.918
  892    HB3  ASP 105           HB1      ASP 105  24.449   0.019  -1.152
  893    H    GLN 106           HN       GLN 106  26.397  -3.282  -2.635
  894    HA   GLN 106           HA       GLN 106  24.574  -4.699  -4.320
  895    HB2  GLN 106           HB2      GLN 106  27.563  -4.939  -3.981
  896    HB3  GLN 106           HB1      GLN 106  26.635  -5.778  -5.213
  897    HG2  GLN 106           HG2      GLN 106  25.971  -3.656  -6.185
  898    HG3  GLN 106           HG1      GLN 106  26.847  -2.791  -4.925
  899   HE21  GLN 106          HE21      GLN 106  29.061  -4.672  -4.905
  900   HE22  GLN 106          HE22      GLN 106  29.970  -4.367  -6.344
  901    H    GLU 107           HN       GLU 107  27.049  -5.831  -1.999
  902    HA   GLU 107           HA       GLU 107  25.279  -7.927  -1.124
  903    HB2  GLU 107           HB2      GLU 107  27.042  -9.697  -1.662
  904    HB3  GLU 107           HB1      GLU 107  26.034  -9.115  -2.976
  905    HG2  GLU 107           HG2      GLU 107  27.858  -7.605  -3.660
  906    HG3  GLU 107           HG1      GLU 107  28.867  -8.293  -2.388
  907    H    VAL 108           HN       VAL 108  25.521  -6.938   0.889
  908    HA   VAL 108           HA       VAL 108  28.077  -7.605   2.192
  909    HB   VAL 108           HB       VAL 108  27.477  -5.140   2.143
  910   HG11  VAL 108          HG11      VAL 108  25.096  -5.296   2.470
  911   HG12  VAL 108          HG12      VAL 108  25.816  -4.369   3.787
  912   HG13  VAL 108          HG13      VAL 108  25.329  -6.043   4.050
  913   HG21  VAL 108          HG21      VAL 108  29.094  -6.007   3.724
  914   HG22  VAL 108          HG22      VAL 108  27.802  -6.452   4.839
  915   HG23  VAL 108          HG23      VAL 108  28.112  -4.752   4.482
  916    H    PHE 109           HN       PHE 109  25.163  -8.701   1.682
  917    HA   PHE 109           HA       PHE 109  24.443  -9.475   4.391
  918    HB2  PHE 109           HB2      PHE 109  22.680  -8.803   2.785
  919    HB3  PHE 109           HB1      PHE 109  23.127 -10.152   1.749
  920    HD1  PHE 109           HD1      PHE 109  21.811  -9.305   5.103
  921    HD2  PHE 109           HD2      PHE 109  22.201 -12.270   2.078
  922    HE1  PHE 109           HE1      PHE 109  20.225 -10.741   6.313
  923    HE2  PHE 109           HE2      PHE 109  20.614 -13.713   3.284
  924    HZ   PHE 109           HZ       PHE 109  19.622 -12.947   5.404
  925    H    VAL 110           HN       VAL 110  25.022 -11.342   5.282
  926    HA   VAL 110           HA       VAL 110  26.605 -13.199   3.728
  927    HB   VAL 110           HB       VAL 110  26.886 -14.366   5.981
  928   HG11  VAL 110          HG11      VAL 110  28.589 -12.921   5.015
  929   HG12  VAL 110          HG12      VAL 110  28.514 -12.704   6.763
  930   HG13  VAL 110          HG13      VAL 110  27.792 -11.502   5.693
  931   HG21  VAL 110          HG21      VAL 110  26.398 -13.034   7.974
  932   HG22  VAL 110          HG22      VAL 110  24.920 -13.424   7.099
  933   HG23  VAL 110          HG23      VAL 110  25.617 -11.811   6.973
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1   1.008  13.233  -9.656
    2    H2   MET   1           HT2      MET   1   0.819  11.612  -9.214
    3    H3   MET   1           HT3      MET   1   1.954  12.580  -8.415
    4    HA   MET   1           HA       MET   1   0.265  13.917  -7.450
    5    HB2  MET   1           HB2      MET   1  -1.632  12.129  -8.991
    6    HB3  MET   1           HB1      MET   1  -2.125  13.285  -7.763
    7    HG2  MET   1           HG2      MET   1  -2.524  14.299  -9.851
    8    HG3  MET   1           HG1      MET   1  -1.094  15.080  -9.181
    9    HE1  MET   1           HE1      MET   1  -0.474  16.089 -11.556
   10    HE2  MET   1           HE2      MET   1  -1.925  15.346 -12.227
   11    HE3  MET   1           HE3      MET   1  -0.370  15.124 -13.028
   12    H    ILE   2           HN       ILE   2  -0.705  13.327  -5.457
   13    HA   ILE   2           HA       ILE   2  -0.120  10.565  -4.644
   14    HB   ILE   2           HB       ILE   2  -0.413  11.489  -2.297
   15   HG12  ILE   2          HG12      ILE   2  -0.276  14.136  -3.767
   16   HG13  ILE   2          HG11      ILE   2  -1.674  13.523  -2.892
   17   HG21  ILE   2          HG21      ILE   2   1.783  12.654  -4.005
   18   HG22  ILE   2          HG22      ILE   2   1.773  11.051  -3.273
   19   HG23  ILE   2          HG23      ILE   2   1.822  12.486  -2.249
   20   HD11  ILE   2          HD11      ILE   2  -0.501  15.181  -1.586
   21   HD12  ILE   2          HD12      ILE   2   0.990  14.248  -1.702
   22   HD13  ILE   2          HD13      ILE   2  -0.387  13.602  -0.813
   23    H    ARG   3           HN       ARG   3  -1.986   9.560  -5.473
   24    HA   ARG   3           HA       ARG   3  -4.556  10.574  -4.523
   25    HB2  ARG   3           HB2      ARG   3  -5.234   9.809  -6.899
   26    HB3  ARG   3           HB1      ARG   3  -4.575  11.411  -6.665
   27    HG2  ARG   3           HG2      ARG   3  -2.410  10.607  -7.428
   28    HG3  ARG   3           HG1      ARG   3  -3.059   8.975  -7.589
   29    HD2  ARG   3           HD2      ARG   3  -4.639   9.773  -9.276
   30    HD3  ARG   3           HD1      ARG   3  -3.988  11.403  -9.112
   31    HE   ARG   3           HE       ARG   3  -2.038   9.385  -9.820
   32   HH11  ARG   3          HH11      ARG   3  -4.343  11.742 -10.988
   33   HH12  ARG   3          HH12      ARG   3  -3.580  11.910 -12.534
   34   HH21  ARG   3          HH21      ARG   3  -1.047   9.571 -11.856
   35   HH22  ARG   3          HH22      ARG   3  -1.694  10.675 -13.032
   36    H    PHE   4           HN       PHE   4  -6.201   9.059  -4.356
   37    HA   PHE   4           HA       PHE   4  -5.387   6.257  -4.539
   38    HB2  PHE   4           HB2      PHE   4  -7.519   5.830  -3.258
   39    HB3  PHE   4           HB1      PHE   4  -6.295   6.747  -2.395
   40    HD1  PHE   4           HD1      PHE   4  -9.587   6.882  -3.984
   41    HD2  PHE   4           HD2      PHE   4  -6.645   9.045  -1.802
   42    HE1  PHE   4           HE1      PHE   4 -11.241   8.634  -3.503
   43    HE2  PHE   4           HE2      PHE   4  -8.295  10.803  -1.315
   44    HZ   PHE   4           HZ       PHE   4 -10.595  10.598  -2.167
   45    H    GLU   5           HN       GLU   5  -6.076   5.031  -6.125
   46    HA   GLU   5           HA       GLU   5  -8.386   5.932  -7.701
   47    HB2  GLU   5           HB2      GLU   5  -5.797   4.677  -8.640
   48    HB3  GLU   5           HB1      GLU   5  -7.241   4.726  -9.640
   49    HG2  GLU   5           HG2      GLU   5  -5.945   7.183  -8.492
   50    HG3  GLU   5           HG1      GLU   5  -5.559   6.527 -10.082
   51    H    ILE   6           HN       ILE   6  -9.673   4.777  -6.414
   52    HA   ILE   6           HA       ILE   6  -9.252   1.908  -6.137
   53    HB   ILE   6           HB       ILE   6 -11.280   3.795  -4.947
   54   HG12  ILE   6          HG12      ILE   6  -8.986   2.434  -3.550
   55   HG13  ILE   6          HG11      ILE   6  -8.853   4.037  -4.259
   56   HG21  ILE   6          HG21      ILE   6 -12.135   1.443  -5.152
   57   HG22  ILE   6          HG22      ILE   6 -11.948   1.963  -3.475
   58   HG23  ILE   6          HG23      ILE   6 -10.749   0.901  -4.203
   59   HD11  ILE   6          HD11      ILE   6 -10.682   4.785  -2.783
   60   HD12  ILE   6          HD12      ILE   6  -9.257   4.225  -1.911
   61   HD13  ILE   6          HD13      ILE   6 -10.682   3.191  -2.028
   62    H    HIS   7           HN       HIS   7 -10.479   0.480  -7.100
   63    HA   HIS   7           HA       HIS   7 -13.010   1.337  -8.384
   64    HB2  HIS   7           HB2      HIS   7 -10.948  -0.628  -9.279
   65    HB3  HIS   7           HB1      HIS   7 -12.634  -0.895  -9.674
   66    HD1  HIS   7           HD1      HIS   7  -9.734   1.340 -10.526
   67    HD2  HIS   7           HD2      HIS   7 -13.729   0.853 -11.569
   68    HE1  HIS   7           HE1      HIS   7 -10.080   2.747 -12.576
   69    HE2  HIS   7           HE2      HIS   7 -12.440   2.274 -13.296
   70    H    GLY   8           HN       GLY   8 -14.393   0.773  -6.728
   71    HA2  GLY   8           HA2      GLY   8 -13.723  -1.795  -5.589
   72    HA3  GLY   8           HA1      GLY   8 -14.654  -0.570  -4.729
   73    H    ASP   9           HN       ASP   9 -14.873  -3.451  -6.398
   74    HA   ASP   9           HA       ASP   9 -17.562  -2.996  -7.435
   75    HB2  ASP   9           HB2      ASP   9 -15.891  -4.280  -8.773
   76    HB3  ASP   9           HB1      ASP   9 -15.882  -5.514  -7.518
   77    H    ASN  10           HN       ASN  10 -18.442  -2.618  -5.328
   78    HA   ASN  10           HA       ASN  10 -19.181  -5.111  -3.972
   79    HB2  ASN  10           HB2      ASN  10 -18.886  -4.095  -1.782
   80    HB3  ASN  10           HB1      ASN  10 -17.368  -4.020  -2.667
   81   HD21  ASN  10          HD21      ASN  10 -18.316  -2.420  -0.428
   82   HD22  ASN  10          HD22      ASN  10 -18.265  -0.776  -0.955
   83    H    LEU  11           HN       LEU  11 -20.835  -4.049  -2.040
   84    HA   LEU  11           HA       LEU  11 -23.162  -3.377  -3.456
   85    HB2  LEU  11           HB2      LEU  11 -22.544  -2.896  -0.536
   86    HB3  LEU  11           HB1      LEU  11 -24.134  -2.791  -1.255
   87    HG   LEU  11           HG       LEU  11 -24.151  -4.858  -0.207
   88   HD11  LEU  11          HD11      LEU  11 -23.274  -5.471  -3.019
   89   HD12  LEU  11          HD12      LEU  11 -24.906  -5.030  -2.517
   90   HD13  LEU  11          HD13      LEU  11 -24.188  -6.538  -1.953
   91   HD21  LEU  11          HD21      LEU  11 -21.758  -4.925   0.342
   92   HD22  LEU  11          HD22      LEU  11 -21.410  -5.455  -1.303
   93   HD23  LEU  11          HD23      LEU  11 -22.363  -6.478  -0.231
   94    H    THR  12           HN       THR  12 -21.119  -1.345  -1.368
   95    HA   THR  12           HA       THR  12 -21.249   0.841  -3.195
   96    HB   THR  12           HB       THR  12 -23.433   1.226  -2.258
   97    HG1  THR  12           HG1      THR  12 -21.786   3.030  -2.413
   98   HG21  THR  12          HG21      THR  12 -22.122   1.144   0.462
   99   HG22  THR  12          HG22      THR  12 -23.220  -0.068  -0.198
  100   HG23  THR  12          HG23      THR  12 -23.805   1.560   0.142
  101    H    ILE  13           HN       ILE  13 -19.362   1.897  -3.022
  102    HA   ILE  13           HA       ILE  13 -17.758   1.566  -0.633
  103    HB   ILE  13           HB       ILE  13 -16.083   2.998  -1.774
  104   HG12  ILE  13          HG12      ILE  13 -17.946   2.873  -4.153
  105   HG13  ILE  13          HG11      ILE  13 -17.727   4.298  -3.144
  106   HG21  ILE  13          HG21      ILE  13 -17.089   0.631  -3.342
  107   HG22  ILE  13          HG22      ILE  13 -15.954   0.602  -1.993
  108   HG23  ILE  13          HG23      ILE  13 -15.493   1.358  -3.517
  109   HD11  ILE  13          HD11      ILE  13 -15.590   2.948  -4.773
  110   HD12  ILE  13          HD12      ILE  13 -15.376   4.383  -3.772
  111   HD13  ILE  13          HD13      ILE  13 -16.425   4.444  -5.187
  112    H    THR  14           HN       THR  14 -17.689   2.923   1.013
  113    HA   THR  14           HA       THR  14 -19.300   5.354   0.830
  114    HB   THR  14           HB       THR  14 -19.023   5.350   3.350
  115    HG1  THR  14           HG1      THR  14 -18.302   2.645   3.166
  116   HG21  THR  14          HG21      THR  14 -21.053   4.503   2.281
  117   HG22  THR  14          HG22      THR  14 -20.649   3.540   3.701
  118   HG23  THR  14          HG23      THR  14 -20.303   2.920   2.088
  119    H    ASP  15           HN       ASP  15 -18.511   7.325   1.813
  120    HA   ASP  15           HA       ASP  15 -15.875   7.968   1.010
  121    HB2  ASP  15           HB2      ASP  15 -17.937   9.476   2.602
  122    HB3  ASP  15           HB1      ASP  15 -16.334  10.137   2.290
  123    H    ALA  16           HN       ALA  16 -17.115   6.509   3.754
  124    HA   ALA  16           HA       ALA  16 -15.368   7.120   5.812
  125    HB1  ALA  16           HB1      ALA  16 -17.302   5.542   5.911
  126    HB2  ALA  16           HB2      ALA  16 -15.828   4.896   6.637
  127    HB3  ALA  16           HB3      ALA  16 -16.318   4.370   5.019
  128    H    ILE  17           HN       ILE  17 -15.080   4.489   3.496
  129    HA   ILE  17           HA       ILE  17 -12.417   3.784   4.125
  130    HB   ILE  17           HB       ILE  17 -14.175   3.282   1.756
  131   HG12  ILE  17          HG12      ILE  17 -13.786   0.855   2.756
  132   HG13  ILE  17          HG11      ILE  17 -13.390   1.771   4.209
  133   HG21  ILE  17          HG21      ILE  17 -11.909   3.242   0.915
  134   HG22  ILE  17          HG22      ILE  17 -12.508   1.586   1.016
  135   HG23  ILE  17          HG23      ILE  17 -11.397   2.197   2.241
  136   HD11  ILE  17          HD11      ILE  17 -15.978   1.986   2.695
  137   HD12  ILE  17          HD12      ILE  17 -15.575   2.767   4.222
  138   HD13  ILE  17          HD13      ILE  17 -15.724   1.013   4.143
  139    H    ARG  18           HN       ARG  18 -13.905   5.741   1.616
  140    HA   ARG  18           HA       ARG  18 -11.691   6.267   0.095
  141    HB2  ARG  18           HB2      ARG  18 -13.912   6.937  -0.611
  142    HB3  ARG  18           HB1      ARG  18 -14.038   8.051   0.742
  143    HG2  ARG  18           HG2      ARG  18 -12.363   9.478  -0.196
  144    HG3  ARG  18           HG1      ARG  18 -12.046   8.319  -1.489
  145    HD2  ARG  18           HD2      ARG  18 -14.723   9.623  -1.037
  146    HD3  ARG  18           HD1      ARG  18 -13.499  10.263  -2.135
  147    HE   ARG  18           HE       ARG  18 -13.684   7.904  -3.172
  148   HH11  ARG  18          HH11      ARG  18 -16.368   9.671  -1.751
  149   HH12  ARG  18          HH12      ARG  18 -17.534   8.999  -2.854
  150   HH21  ARG  18          HH21      ARG  18 -15.223   7.023  -4.594
  151   HH22  ARG  18          HH22      ARG  18 -16.888   7.499  -4.462
  152    H    ASN  19           HN       ASN  19 -12.981   8.003   2.878
  153    HA   ASN  19           HA       ASN  19 -10.898   9.835   3.276
  154    HB2  ASN  19           HB2      ASN  19 -13.275   9.372   4.504
  155    HB3  ASN  19           HB1      ASN  19 -12.179   8.658   5.674
  156   HD21  ASN  19          HD21      ASN  19 -10.818   9.937   6.856
  157   HD22  ASN  19          HD22      ASN  19 -10.904  11.664   6.848
  158    H    TYR  20           HN       TYR  20 -11.503   6.635   4.654
  159    HA   TYR  20           HA       TYR  20  -9.303   6.277   6.264
  160    HB2  TYR  20           HB2      TYR  20 -11.267   4.633   5.735
  161    HB3  TYR  20           HB1      TYR  20 -10.220   4.056   4.448
  162    HD1  TYR  20           HD1      TYR  20 -11.034   3.774   7.898
  163    HD2  TYR  20           HD2      TYR  20  -7.855   3.257   5.115
  164    HE1  TYR  20           HE1      TYR  20  -9.884   2.293   9.491
  165    HE2  TYR  20           HE2      TYR  20  -6.699   1.777   6.700
  166    HH   TYR  20           HH       TYR  20  -6.636   1.331   9.083
  167    H    ILE  21           HN       ILE  21  -9.420   6.235   2.751
  168    HA   ILE  21           HA       ILE  21  -6.804   4.966   2.543
  169    HB   ILE  21           HB       ILE  21  -8.700   6.019   0.450
  170   HG12  ILE  21          HG12      ILE  21  -9.662   4.100   1.600
  171   HG13  ILE  21          HG11      ILE  21  -9.174   3.620  -0.021
  172   HG21  ILE  21          HG21      ILE  21  -6.213   4.325   0.138
  173   HG22  ILE  21          HG22      ILE  21  -6.393   6.014  -0.335
  174   HG23  ILE  21          HG23      ILE  21  -7.321   4.764  -1.163
  175   HD11  ILE  21          HD11      ILE  21  -7.678   3.059   2.528
  176   HD12  ILE  21          HD12      ILE  21  -7.146   2.606   0.908
  177   HD13  ILE  21          HD13      ILE  21  -8.618   1.905   1.581
  178    H    GLU  22           HN       GLU  22  -8.520   7.937   2.368
  179    HA   GLU  22           HA       GLU  22  -6.526   9.397   1.081
  180    HB2  GLU  22           HB2      GLU  22  -8.796  10.255   1.176
  181    HB3  GLU  22           HB1      GLU  22  -8.710  10.335   2.930
  182    HG2  GLU  22           HG2      GLU  22  -8.443  12.533   2.176
  183    HG3  GLU  22           HG1      GLU  22  -6.835  11.992   2.640
  184    H    GLU  23           HN       GLU  23  -7.251   8.576   4.334
  185    HA   GLU  23           HA       GLU  23  -5.202  10.174   5.566
  186    HB2  GLU  23           HB2      GLU  23  -6.593   7.812   6.809
  187    HB3  GLU  23           HB1      GLU  23  -5.955   9.247   7.604
  188    HG2  GLU  23           HG2      GLU  23  -7.702  10.603   6.646
  189    HG3  GLU  23           HG1      GLU  23  -8.315   9.212   5.719
  190    H    LYS  24           HN       LYS  24  -5.664   6.863   4.525
  191    HA   LYS  24           HA       LYS  24  -3.345   5.651   5.441
  192    HB2  LYS  24           HB2      LYS  24  -5.195   4.512   4.244
  193    HB3  LYS  24           HB1      LYS  24  -4.704   5.302   2.755
  194    HG2  LYS  24           HG2      LYS  24  -2.481   4.132   3.026
  195    HG3  LYS  24           HG1      LYS  24  -3.253   3.175   4.294
  196    HD2  LYS  24           HD2      LYS  24  -5.017   2.546   2.636
  197    HD3  LYS  24           HD1      LYS  24  -4.067   3.361   1.394
  198    HE2  LYS  24           HE2      LYS  24  -3.292   0.946   3.017
  199    HE3  LYS  24           HE1      LYS  24  -3.585   1.024   1.282
  200    HZ1  LYS  24           HZ1      LYS  24  -1.257   0.989   1.628
  201    HZ2  LYS  24           HZ2      LYS  24  -1.327   2.217   2.787
  202    HZ3  LYS  24           HZ3      LYS  24  -1.648   2.567   1.160
  203    H    ILE  25           HN       ILE  25  -3.808   6.933   2.159
  204    HA   ILE  25           HA       ILE  25  -1.099   7.057   1.463
  205    HB   ILE  25           HB       ILE  25  -3.361   8.780   0.431
  206   HG12  ILE  25          HG12      ILE  25  -2.231   6.176  -0.613
  207   HG13  ILE  25          HG11      ILE  25  -3.790   6.375   0.180
  208   HG21  ILE  25          HG21      ILE  25  -1.960   9.076  -1.564
  209   HG22  ILE  25          HG22      ILE  25  -0.662   8.181  -0.777
  210   HG23  ILE  25          HG23      ILE  25  -1.188   9.730  -0.119
  211   HD11  ILE  25          HD11      ILE  25  -2.970   7.597  -2.441
  212   HD12  ILE  25          HD12      ILE  25  -4.529   7.812  -1.647
  213   HD13  ILE  25          HD13      ILE  25  -4.045   6.217  -2.220
  214    H    GLY  26           HN       GLY  26  -3.231   9.332   3.071
  215    HA2  GLY  26           HA2      GLY  26  -1.573  11.551   3.183
  216    HA3  GLY  26           HA1      GLY  26  -2.753  11.118   4.408
  217    H    LYS  27           HN       LYS  27  -1.550   8.656   5.332
  218    HA   LYS  27           HA       LYS  27   0.387   9.993   7.003
  219    HB2  LYS  27           HB2      LYS  27   0.194   8.131   8.490
  220    HB3  LYS  27           HB1      LYS  27  -1.425   8.573   7.974
  221    HG2  LYS  27           HG2      LYS  27  -0.882   6.698   6.144
  222    HG3  LYS  27           HG1      LYS  27   0.119   6.115   7.478
  223    HD2  LYS  27           HD2      LYS  27  -1.906   6.375   8.954
  224    HD3  LYS  27           HD1      LYS  27  -2.831   6.661   7.474
  225    HE2  LYS  27           HE2      LYS  27  -2.260   4.468   6.644
  226    HE3  LYS  27           HE1      LYS  27  -1.190   4.186   8.016
  227    HZ1  LYS  27           HZ1      LYS  27  -3.098   4.268   9.486
  228    HZ2  LYS  27           HZ2      LYS  27  -3.325   3.082   8.303
  229    HZ3  LYS  27           HZ3      LYS  27  -4.132   4.564   8.182
  230    H    LEU  28           HN       LEU  28   0.178   7.732   4.424
  231    HA   LEU  28           HA       LEU  28   2.866   6.805   4.635
  232    HB2  LEU  28           HB2      LEU  28   1.178   6.977   2.162
  233    HB3  LEU  28           HB1      LEU  28   2.552   5.915   2.442
  234    HG   LEU  28           HG       LEU  28   0.020   5.867   4.051
  235   HD11  LEU  28          HD11      LEU  28  -0.479   3.774   2.796
  236   HD12  LEU  28          HD12      LEU  28   0.897   4.103   1.745
  237   HD13  LEU  28          HD13      LEU  28  -0.481   5.201   1.764
  238   HD21  LEU  28          HD21      LEU  28   2.372   3.983   3.904
  239   HD22  LEU  28          HD22      LEU  28   0.878   3.668   4.787
  240   HD23  LEU  28          HD23      LEU  28   1.914   5.014   5.260
  241    H    GLU  29           HN       GLU  29   1.258   9.380   2.866
  242    HA   GLU  29           HA       GLU  29   3.480  10.447   1.529
  243    HB2  GLU  29           HB2      GLU  29   1.268  11.083   0.855
  244    HB3  GLU  29           HB1      GLU  29   0.884  11.682   2.460
  245    HG2  GLU  29           HG2      GLU  29   3.168  13.005   1.189
  246    HG3  GLU  29           HG1      GLU  29   1.634  13.218   0.350
  247    H    ARG  30           HN       ARG  30   2.185  10.969   4.765
  248    HA   ARG  30           HA       ARG  30   3.836  13.147   5.366
  249    HB2  ARG  30           HB2      ARG  30   2.331  11.308   7.064
  250    HB3  ARG  30           HB1      ARG  30   3.290  12.590   7.758
  251    HG2  ARG  30           HG2      ARG  30   0.949  12.840   5.900
  252    HG3  ARG  30           HG1      ARG  30   1.026  13.343   7.590
  253    HD2  ARG  30           HD2      ARG  30   2.415  14.538   5.206
  254    HD3  ARG  30           HD1      ARG  30   1.255  15.306   6.286
  255    HE   ARG  30           HE       ARG  30   3.043  15.070   8.034
  256   HH11  ARG  30          HH11      ARG  30   3.832  15.260   4.623
  257   HH12  ARG  30          HH12      ARG  30   5.400  15.951   4.901
  258   HH21  ARG  30          HH21      ARG  30   5.111  15.951   8.400
  259   HH22  ARG  30          HH22      ARG  30   6.133  16.342   7.052
  260    H    TYR  31           HN       TYR  31   4.728   9.974   4.950
  261    HA   TYR  31           HA       TYR  31   6.947   9.985   6.770
  262    HB2  TYR  31           HB2      TYR  31   6.470   8.363   4.259
  263    HB3  TYR  31           HB1      TYR  31   7.799   8.106   5.377
  264    HD1  TYR  31           HD1      TYR  31   5.498   6.198   4.462
  265    HD2  TYR  31           HD2      TYR  31   6.121   8.584   7.928
  266    HE1  TYR  31           HE1      TYR  31   4.088   4.664   5.766
  267    HE2  TYR  31           HE2      TYR  31   4.713   7.058   9.238
  268    HH   TYR  31           HH       TYR  31   3.876   4.011   8.246
  269    H    PHE  32           HN       PHE  32   6.187  11.427   3.791
  270    HA   PHE  32           HA       PHE  32   8.986  12.081   3.258
  271    HB2  PHE  32           HB2      PHE  32   6.875  12.130   1.159
  272    HB3  PHE  32           HB1      PHE  32   8.578  11.819   1.027
  273    HD1  PHE  32           HD1      PHE  32   9.246   9.558   2.522
  274    HD2  PHE  32           HD2      PHE  32   5.589  10.352   0.492
  275    HE1  PHE  32           HE1      PHE  32   8.823   7.145   2.341
  276    HE2  PHE  32           HE2      PHE  32   5.155   7.940   0.324
  277    HZ   PHE  32           HZ       PHE  32   6.773   6.332   1.249
  278    H    ASN  33           HN       ASN  33   9.220  14.192   2.150
  279    HA   ASN  33           HA       ASN  33   6.769  15.808   2.182
  280    HB2  ASN  33           HB2      ASN  33   8.532  16.674   3.749
  281    HB3  ASN  33           HB1      ASN  33   9.596  16.887   2.363
  282   HD21  ASN  33          HD21      ASN  33   9.220  18.567   0.934
  283   HD22  ASN  33          HD22      ASN  33   8.117  19.852   1.278
  284    H    ASP  34           HN       ASP  34   9.373  14.505   0.454
  285    HA   ASP  34           HA       ASP  34   9.075  16.188  -1.786
  286    HB2  ASP  34           HB2      ASP  34  11.088  15.099  -2.651
  287    HB3  ASP  34           HB1      ASP  34  11.337  15.679  -1.007
  288    H    VAL  35           HN       VAL  35   6.964  14.310  -1.136
  289    HA   VAL  35           HA       VAL  35   7.245  12.304  -3.233
  290    HB   VAL  35           HB       VAL  35   6.566  11.443  -1.078
  291   HG11  VAL  35          HG11      VAL  35   5.426  13.320  -0.121
  292   HG12  VAL  35          HG12      VAL  35   4.327  11.938  -0.160
  293   HG13  VAL  35          HG13      VAL  35   4.162  13.229  -1.349
  294   HG21  VAL  35          HG21      VAL  35   4.577  10.180  -1.777
  295   HG22  VAL  35          HG22      VAL  35   5.796  10.269  -3.049
  296   HG23  VAL  35          HG23      VAL  35   4.363  11.294  -3.128
  297    HA   PRO  36           HA       PRO  36   4.361  14.776  -5.629
  298    HB2  PRO  36           HB2      PRO  36   5.488  14.340  -8.015
  299    HB3  PRO  36           HB1      PRO  36   6.199  15.460  -6.849
  300    HG2  PRO  36           HG2      PRO  36   7.095  12.761  -7.656
  301    HG3  PRO  36           HG1      PRO  36   8.038  14.117  -7.022
  302    HD2  PRO  36           HD2      PRO  36   7.050  11.844  -5.591
  303    HD3  PRO  36           HD1      PRO  36   7.949  13.229  -4.945
  304    H    ASN  37           HN       ASN  37   4.948  11.454  -5.438
  305    HA   ASN  37           HA       ASN  37   2.530  10.861  -6.938
  306    HB2  ASN  37           HB2      ASN  37   4.276  10.662  -8.635
  307    HB3  ASN  37           HB1      ASN  37   5.182   9.566  -7.598
  308   HD21  ASN  37          HD21      ASN  37   5.142   7.909  -9.084
  309   HD22  ASN  37          HD22      ASN  37   3.707   7.015  -9.443
  310    H    ALA  38           HN       ALA  38   1.339   9.664  -5.693
  311    HA   ALA  38           HA       ALA  38   2.310   7.156  -4.683
  312    HB1  ALA  38           HB1      ALA  38   2.901   8.674  -2.812
  313    HB2  ALA  38           HB2      ALA  38   1.656   7.502  -2.370
  314    HB3  ALA  38           HB3      ALA  38   1.210   9.172  -2.717
  315    H    VAL  39           HN       VAL  39   0.739   5.839  -5.371
  316    HA   VAL  39           HA       VAL  39  -1.977   6.888  -5.592
  317    HB   VAL  39           HB       VAL  39  -0.203   5.270  -7.350
  318   HG11  VAL  39          HG11      VAL  39  -2.129   3.834  -6.717
  319   HG12  VAL  39          HG12      VAL  39  -1.936   4.143  -8.453
  320   HG13  VAL  39          HG13      VAL  39  -3.178   5.002  -7.538
  321   HG21  VAL  39          HG21      VAL  39  -0.708   7.653  -7.770
  322   HG22  VAL  39          HG22      VAL  39  -2.402   7.212  -8.004
  323   HG23  VAL  39          HG23      VAL  39  -1.166   6.584  -9.094
  324    H    ALA  40           HN       ALA  40  -3.690   5.423  -5.104
  325    HA   ALA  40           HA       ALA  40  -2.893   2.735  -4.144
  326    HB1  ALA  40           HB1      ALA  40  -3.577   4.059  -2.207
  327    HB2  ALA  40           HB2      ALA  40  -4.797   2.830  -2.556
  328    HB3  ALA  40           HB3      ALA  40  -5.080   4.509  -3.014
  329    H    HIS  41           HN       HIS  41  -3.301   1.920  -6.207
  330    HA   HIS  41           HA       HIS  41  -5.952   2.116  -7.365
  331    HB2  HIS  41           HB2      HIS  41  -3.842   1.929  -8.739
  332    HB3  HIS  41           HB1      HIS  41  -3.656   0.292  -8.131
  333    HD1  HIS  41           HD1      HIS  41  -4.459   1.697 -11.107
  334    HD2  HIS  41           HD2      HIS  41  -6.555  -0.974  -8.710
  335    HE1  HIS  41           HE1      HIS  41  -6.035   0.496 -12.651
  336    HE2  HIS  41           HE2      HIS  41  -7.151  -1.238 -11.213
  337    H    VAL  42           HN       VAL  42  -7.381   1.196  -5.929
  338    HA   VAL  42           HA       VAL  42  -6.766  -1.508  -4.892
  339    HB   VAL  42           HB       VAL  42  -7.821   1.020  -3.730
  340   HG11  VAL  42          HG11      VAL  42  -8.962  -0.129  -1.952
  341   HG12  VAL  42          HG12      VAL  42  -8.586  -1.685  -2.696
  342   HG13  VAL  42          HG13      VAL  42  -9.661  -0.552  -3.514
  343   HG21  VAL  42          HG21      VAL  42  -5.550   0.335  -3.272
  344   HG22  VAL  42          HG22      VAL  42  -6.139  -1.252  -2.737
  345   HG23  VAL  42          HG23      VAL  42  -6.519   0.192  -1.794
  346    H    LYS  43           HN       LYS  43  -8.467  -2.833  -4.679
  347    HA   LYS  43           HA       LYS  43 -10.987  -2.162  -6.007
  348    HB2  LYS  43           HB2      LYS  43  -9.521  -2.975  -7.803
  349    HB3  LYS  43           HB1      LYS  43  -9.151  -4.412  -6.876
  350    HG2  LYS  43           HG2      LYS  43 -11.548  -5.053  -7.020
  351    HG3  LYS  43           HG1      LYS  43 -11.798  -3.669  -8.088
  352    HD2  LYS  43           HD2      LYS  43  -9.894  -5.958  -8.596
  353    HD3  LYS  43           HD1      LYS  43 -11.476  -5.753  -9.348
  354    HE2  LYS  43           HE2      LYS  43  -9.269  -3.722  -9.577
  355    HE3  LYS  43           HE1      LYS  43  -9.503  -5.027 -10.733
  356    HZ1  LYS  43           HZ1      LYS  43 -10.545  -2.912 -11.407
  357    HZ2  LYS  43           HZ2      LYS  43 -11.571  -3.009 -10.066
  358    HZ3  LYS  43           HZ3      LYS  43 -11.652  -4.179 -11.277
  359    H    VAL  44           HN       VAL  44 -12.641  -3.403  -5.333
  360    HA   VAL  44           HA       VAL  44 -12.080  -5.521  -3.378
  361    HB   VAL  44           HB       VAL  44 -12.616  -3.247  -2.270
  362   HG11  VAL  44          HG11      VAL  44 -15.295  -3.949  -3.411
  363   HG12  VAL  44          HG12      VAL  44 -14.286  -2.569  -3.879
  364   HG13  VAL  44          HG13      VAL  44 -14.987  -2.644  -2.255
  365   HG21  VAL  44          HG21      VAL  44 -14.136  -4.242  -0.619
  366   HG22  VAL  44          HG22      VAL  44 -12.829  -5.341  -1.046
  367   HG23  VAL  44          HG23      VAL  44 -14.438  -5.589  -1.716
  368    H    LYS  45           HN       LYS  45 -13.952  -6.848  -3.106
  369    HA   LYS  45           HA       LYS  45 -16.043  -6.809  -5.104
  370    HB2  LYS  45           HB2      LYS  45 -13.924  -8.967  -4.949
  371    HB3  LYS  45           HB1      LYS  45 -15.460  -9.184  -5.773
  372    HG2  LYS  45           HG2      LYS  45 -14.902  -7.640  -7.445
  373    HG3  LYS  45           HG1      LYS  45 -13.571  -6.971  -6.499
  374    HD2  LYS  45           HD2      LYS  45 -12.356  -9.087  -6.718
  375    HD3  LYS  45           HD1      LYS  45 -13.688  -9.753  -7.665
  376    HE2  LYS  45           HE2      LYS  45 -13.306  -8.200  -9.433
  377    HE3  LYS  45           HE1      LYS  45 -12.167  -7.280  -8.452
  378    HZ1  LYS  45           HZ1      LYS  45 -10.588  -9.012  -8.567
  379    HZ2  LYS  45           HZ2      LYS  45 -11.156  -8.792 -10.147
  380    HZ3  LYS  45           HZ3      LYS  45 -11.707 -10.100  -9.230
  381    H    THR  46           HN       THR  46 -17.705  -7.015  -3.714
  382    HA   THR  46           HA       THR  46 -17.949  -9.413  -2.176
  383    HB   THR  46           HB       THR  46 -16.614  -8.179  -0.580
  384    HG1  THR  46           HG1      THR  46 -17.971  -8.439   1.146
  385   HG21  THR  46          HG21      THR  46 -17.070  -5.899  -1.321
  386   HG22  THR  46          HG22      THR  46 -17.370  -6.071   0.408
  387   HG23  THR  46          HG23      THR  46 -18.724  -6.027  -0.721
  388    H    TYR  47           HN       TYR  47 -19.980  -9.992  -2.147
  389    HA   TYR  47           HA       TYR  47 -22.067  -7.926  -2.261
  390    HB2  TYR  47           HB2      TYR  47 -23.405  -9.833  -3.452
  391    HB3  TYR  47           HB1      TYR  47 -22.275  -8.862  -4.384
  392    HD1  TYR  47           HD1      TYR  47 -22.979 -12.183  -3.028
  393    HD2  TYR  47           HD2      TYR  47 -20.144  -9.813  -5.137
  394    HE1  TYR  47           HE1      TYR  47 -21.809 -14.222  -3.745
  395    HE2  TYR  47           HE2      TYR  47 -18.970 -11.846  -5.857
  396    HH   TYR  47           HH       TYR  47 -18.707 -14.164  -5.144
  397    H    SER  48           HN       SER  48 -21.621  -8.225   0.073
  398    HA   SER  48           HA       SER  48 -23.553  -9.715   1.420
  399    HB2  SER  48           HB2      SER  48 -22.158 -11.452   2.477
  400    HB3  SER  48           HB1      SER  48 -22.198 -11.665   0.728
  401    HG   SER  48           HG       SER  48 -20.157 -10.774   0.587
  402    H    ASN  49           HN       ASN  49 -22.669  -9.979   3.877
  403    HA   ASN  49           HA       ASN  49 -21.293  -7.448   4.498
  404    HB2  ASN  49           HB2      ASN  49 -23.474  -8.901   6.004
  405    HB3  ASN  49           HB1      ASN  49 -22.538  -7.584   6.699
  406   HD21  ASN  49          HD21      ASN  49 -22.823  -5.501   5.929
  407   HD22  ASN  49          HD22      ASN  49 -24.196  -5.048   4.980
  408    H    SER  50           HN       SER  50 -20.546 -10.521   4.228
  409    HA   SER  50           HA       SER  50 -18.875 -10.484   6.615
  410    HB2  SER  50           HB2      SER  50 -20.330 -12.911   5.568
  411    HB3  SER  50           HB1      SER  50 -19.167 -12.924   6.895
  412    HG   SER  50           HG       SER  50 -20.702 -11.188   7.760
  413    H    ALA  51           HN       ALA  51 -18.663 -10.114   3.611
  414    HA   ALA  51           HA       ALA  51 -16.239 -11.764   3.281
  415    HB1  ALA  51           HB1      ALA  51 -16.972 -11.182   0.716
  416    HB2  ALA  51           HB2      ALA  51 -18.531 -11.534   1.495
  417    HB3  ALA  51           HB3      ALA  51 -17.238 -12.737   1.532
  418    H    THR  52           HN       THR  52 -14.629 -10.894   1.956
  419    HA   THR  52           HA       THR  52 -15.134  -8.639   0.490
  420    HB   THR  52           HB       THR  52 -13.015  -8.402   2.624
  421    HG1  THR  52           HG1      THR  52 -15.256  -7.791   3.105
  422   HG21  THR  52          HG21      THR  52 -12.655  -6.121   1.586
  423   HG22  THR  52          HG22      THR  52 -13.524  -6.739   0.186
  424   HG23  THR  52          HG23      THR  52 -12.023  -7.506   0.704
  425    H    LYS  53           HN       LYS  53 -14.040  -8.825  -1.428
  426    HA   LYS  53           HA       LYS  53 -11.439 -10.176  -1.280
  427    HB2  LYS  53           HB2      LYS  53 -12.923 -11.582  -2.572
  428    HB3  LYS  53           HB1      LYS  53 -13.460 -10.211  -3.528
  429    HG2  LYS  53           HG2      LYS  53 -11.054 -10.021  -4.326
  430    HG3  LYS  53           HG1      LYS  53 -10.810 -11.615  -3.610
  431    HD2  LYS  53           HD2      LYS  53 -12.955 -10.999  -5.636
  432    HD3  LYS  53           HD1      LYS  53 -11.360 -11.619  -6.059
  433    HE2  LYS  53           HE2      LYS  53 -13.176 -13.020  -4.115
  434    HE3  LYS  53           HE1      LYS  53 -13.243 -13.314  -5.852
  435    HZ1  LYS  53           HZ1      LYS  53 -11.846 -14.933  -4.744
  436    HZ2  LYS  53           HZ2      LYS  53 -10.861 -13.708  -4.122
  437    HZ3  LYS  53           HZ3      LYS  53 -10.920 -13.979  -5.789
  438    H    ILE  54           HN       ILE  54  -9.807  -8.923  -1.609
  439    HA   ILE  54           HA       ILE  54 -10.358  -6.335  -2.872
  440    HB   ILE  54           HB       ILE  54  -8.436  -5.593  -1.243
  441   HG12  ILE  54          HG12      ILE  54  -8.899  -6.793   1.000
  442   HG13  ILE  54          HG11      ILE  54  -9.487  -8.122   0.010
  443   HG21  ILE  54          HG21      ILE  54 -10.197  -4.974   0.323
  444   HG22  ILE  54          HG22      ILE  54 -11.261  -6.150  -0.474
  445   HG23  ILE  54          HG23      ILE  54 -10.649  -4.744  -1.376
  446   HD11  ILE  54          HD11      ILE  54  -7.305  -8.275  -1.074
  447   HD12  ILE  54          HD12      ILE  54  -7.187  -8.478   0.674
  448   HD13  ILE  54          HD13      ILE  54  -6.717  -6.950  -0.069
  449    H    GLU  55           HN       GLU  55  -8.559  -5.200  -3.732
  450    HA   GLU  55           HA       GLU  55  -6.164  -6.723  -4.294
  451    HB2  GLU  55           HB2      GLU  55  -8.164  -5.760  -6.309
  452    HB3  GLU  55           HB1      GLU  55  -6.467  -5.856  -6.677
  453    HG2  GLU  55           HG2      GLU  55  -6.465  -8.228  -6.386
  454    HG3  GLU  55           HG1      GLU  55  -8.100  -8.188  -5.735
  455    H    VAL  56           HN       VAL  56  -4.791  -5.281  -3.519
  456    HA   VAL  56           HA       VAL  56  -5.272  -2.408  -3.965
  457    HB   VAL  56           HB       VAL  56  -4.628  -2.218  -1.761
  458   HG11  VAL  56          HG11      VAL  56  -3.600  -4.974  -2.029
  459   HG12  VAL  56          HG12      VAL  56  -5.196  -4.489  -1.471
  460   HG13  VAL  56          HG13      VAL  56  -3.769  -4.078  -0.524
  461   HG21  VAL  56          HG21      VAL  56  -1.894  -3.265  -2.628
  462   HG22  VAL  56          HG22      VAL  56  -2.240  -2.178  -1.288
  463   HG23  VAL  56          HG23      VAL  56  -2.444  -1.624  -2.943
  464    H    THR  57           HN       THR  57  -3.830  -1.274  -5.004
  465    HA   THR  57           HA       THR  57  -1.146  -2.306  -5.283
  466    HB   THR  57           HB       THR  57  -2.532  -1.291  -7.783
  467    HG1  THR  57           HG1      THR  57  -2.710  -3.747  -6.623
  468   HG21  THR  57          HG21      THR  57   0.053  -2.788  -7.365
  469   HG22  THR  57          HG22      THR  57  -0.104  -1.077  -7.756
  470   HG23  THR  57          HG23      THR  57  -0.605  -2.297  -8.926
  471    H    ILE  58           HN       ILE  58  -0.195  -0.749  -4.328
  472    HA   ILE  58           HA       ILE  58  -1.050   2.073  -4.679
  473    HB   ILE  58           HB       ILE  58   0.003   0.391  -2.433
  474   HG12  ILE  58          HG12      ILE  58  -1.480   1.903  -1.084
  475   HG13  ILE  58          HG11      ILE  58  -1.926   2.714  -2.575
  476   HG21  ILE  58          HG21      ILE  58   0.609   3.357  -2.577
  477   HG22  ILE  58          HG22      ILE  58   1.788   2.045  -2.551
  478   HG23  ILE  58          HG23      ILE  58   0.782   2.356  -1.136
  479   HD11  ILE  58          HD11      ILE  58  -3.635   1.173  -2.025
  480   HD12  ILE  58          HD12      ILE  58  -2.470  -0.126  -1.793
  481   HD13  ILE  58          HD13      ILE  58  -2.763   0.516  -3.410
  482    HA   PRO  59           HA       PRO  59   3.193   2.134  -6.617
  483    HB2  PRO  59           HB2      PRO  59   1.883   4.224  -8.247
  484    HB3  PRO  59           HB1      PRO  59   2.807   2.804  -8.767
  485    HG2  PRO  59           HG2      PRO  59   0.158   2.931  -9.096
  486    HG3  PRO  59           HG1      PRO  59   0.959   1.407  -8.659
  487    HD2  PRO  59           HD2      PRO  59  -0.461   3.362  -6.884
  488    HD3  PRO  59           HD1      PRO  59  -0.629   1.597  -6.946
  489    H    LEU  60           HN       LEU  60   4.062   3.088  -4.808
  490    HA   LEU  60           HA       LEU  60   3.824   5.948  -4.347
  491    HB2  LEU  60           HB2      LEU  60   5.777   3.860  -3.345
  492    HB3  LEU  60           HB1      LEU  60   5.763   5.517  -2.797
  493    HG   LEU  60           HG       LEU  60   3.613   3.444  -2.350
  494   HD11  LEU  60          HD11      LEU  60   5.466   4.863  -0.447
  495   HD12  LEU  60          HD12      LEU  60   5.575   3.174  -0.942
  496   HD13  LEU  60          HD13      LEU  60   4.194   3.729   0.003
  497   HD21  LEU  60          HD21      LEU  60   3.676   6.348  -1.548
  498   HD22  LEU  60          HD22      LEU  60   2.502   5.160  -0.983
  499   HD23  LEU  60          HD23      LEU  60   2.563   5.596  -2.690
  500    H    LYS  61           HN       LYS  61   6.309   7.014  -4.341
  501    HA   LYS  61           HA       LYS  61   7.167   7.215  -6.999
  502    HB2  LYS  61           HB2      LYS  61   9.012   7.340  -4.663
  503    HB3  LYS  61           HB1      LYS  61   9.112   8.266  -6.154
  504    HG2  LYS  61           HG2      LYS  61   7.096   9.534  -5.443
  505    HG3  LYS  61           HG1      LYS  61   7.165   8.685  -3.896
  506    HD2  LYS  61           HD2      LYS  61   9.375  10.389  -5.053
  507    HD3  LYS  61           HD1      LYS  61   8.250  10.901  -3.801
  508    HE2  LYS  61           HE2      LYS  61   9.106   9.276  -2.266
  509    HE3  LYS  61           HE1      LYS  61  10.081   8.527  -3.528
  510    HZ1  LYS  61           HZ1      LYS  61  11.412  10.519  -3.661
  511    HZ2  LYS  61           HZ2      LYS  61  11.398   9.945  -2.070
  512    HZ3  LYS  61           HZ3      LYS  61  10.463  11.286  -2.490
  513    H    ASN  62           HN       ASN  62   8.509   5.542  -4.235
  514    HA   ASN  62           HA       ASN  62  10.652   4.574  -5.779
  515    HB2  ASN  62           HB2      ASN  62  10.010   4.715  -2.961
  516    HB3  ASN  62           HB1      ASN  62  11.129   3.450  -3.419
  517   HD21  ASN  62          HD21      ASN  62  10.923   6.477  -5.136
  518   HD22  ASN  62          HD22      ASN  62  12.442   7.105  -4.608
  519    H    VAL  63           HN       VAL  63   7.757   3.300  -4.399
  520    HA   VAL  63           HA       VAL  63   8.398   0.603  -5.319
  521    HB   VAL  63           HB       VAL  63   9.038   0.820  -2.965
  522   HG11  VAL  63          HG11      VAL  63   7.358   2.560  -2.383
  523   HG12  VAL  63          HG12      VAL  63   7.451   1.232  -1.223
  524   HG13  VAL  63          HG13      VAL  63   6.127   1.294  -2.384
  525   HG21  VAL  63          HG21      VAL  63   6.656  -0.961  -3.424
  526   HG22  VAL  63          HG22      VAL  63   7.806  -1.126  -2.098
  527   HG23  VAL  63          HG23      VAL  63   8.340  -1.356  -3.763
  528    H    THR  64           HN       THR  64   6.613  -0.720  -5.662
  529    HA   THR  64           HA       THR  64   3.962   0.581  -5.595
  530    HB   THR  64           HB       THR  64   5.017  -1.239  -7.778
  531    HG1  THR  64           HG1      THR  64   5.710   1.120  -7.593
  532   HG21  THR  64          HG21      THR  64   2.624  -1.519  -7.436
  533   HG22  THR  64          HG22      THR  64   2.923  -0.653  -8.941
  534   HG23  THR  64          HG23      THR  64   2.389   0.225  -7.509
  535    H    LEU  65           HN       LEU  65   2.902  -0.542  -3.983
  536    HA   LEU  65           HA       LEU  65   3.428  -3.407  -3.742
  537    HB2  LEU  65           HB2      LEU  65   1.897  -1.527  -1.951
  538    HB3  LEU  65           HB1      LEU  65   1.820  -3.265  -1.789
  539    HG   LEU  65           HG       LEU  65   4.443  -3.121  -1.736
  540   HD11  LEU  65          HD11      LEU  65   4.652  -0.730  -2.112
  541   HD12  LEU  65          HD12      LEU  65   5.281  -1.162  -0.513
  542   HD13  LEU  65          HD13      LEU  65   3.688  -0.403  -0.671
  543   HD21  LEU  65          HD21      LEU  65   3.003  -4.039  -0.008
  544   HD22  LEU  65          HD22      LEU  65   2.735  -2.417   0.633
  545   HD23  LEU  65          HD23      LEU  65   4.349  -3.130   0.677
  546    H    ARG  66           HN       ARG  66   1.904  -4.959  -3.855
  547    HA   ARG  66           HA       ARG  66  -0.826  -4.136  -4.463
  548    HB2  ARG  66           HB2      ARG  66   0.187  -4.749  -6.476
  549    HB3  ARG  66           HB1      ARG  66   0.811  -6.247  -5.849
  550    HG2  ARG  66           HG2      ARG  66  -1.273  -7.260  -5.895
  551    HG3  ARG  66           HG1      ARG  66  -2.132  -5.718  -5.902
  552    HD2  ARG  66           HD2      ARG  66  -2.291  -6.727  -8.082
  553    HD3  ARG  66           HD1      ARG  66  -1.276  -5.290  -8.167
  554    HE   ARG  66           HE       ARG  66   0.199  -7.730  -7.785
  555   HH11  ARG  66          HH11      ARG  66  -1.213  -5.555 -10.133
  556   HH12  ARG  66          HH12      ARG  66  -0.229  -6.121 -11.443
  557   HH21  ARG  66          HH21      ARG  66   1.509  -8.473  -9.513
  558   HH22  ARG  66          HH22      ARG  66   1.313  -7.779 -11.092
  559    H    ALA  67           HN       ALA  67  -2.342  -5.347  -3.538
  560    HA   ALA  67           HA       ALA  67  -1.610  -7.966  -2.409
  561    HB1  ALA  67           HB1      ALA  67  -2.514  -7.654  -0.235
  562    HB2  ALA  67           HB2      ALA  67  -3.117  -6.048  -0.627
  563    HB3  ALA  67           HB3      ALA  67  -1.383  -6.336  -0.518
  564    H    GLU  68           HN       GLU  68  -2.896  -9.334  -3.295
  565    HA   GLU  68           HA       GLU  68  -5.720  -8.594  -3.708
  566    HB2  GLU  68           HB2      GLU  68  -5.618 -10.341  -5.559
  567    HB3  GLU  68           HB1      GLU  68  -4.726  -8.854  -5.848
  568    HG2  GLU  68           HG2      GLU  68  -2.653  -9.960  -5.219
  569    HG3  GLU  68           HG1      GLU  68  -3.537 -11.453  -4.912
  570    H    GLU  69           HN       GLU  69  -7.136  -9.757  -2.494
  571    HA   GLU  69           HA       GLU  69  -6.716 -12.522  -1.873
  572    HB2  GLU  69           HB2      GLU  69  -5.027 -11.530  -0.382
  573    HB3  GLU  69           HB1      GLU  69  -6.264 -10.527   0.357
  574    HG2  GLU  69           HG2      GLU  69  -5.698 -12.435   1.756
  575    HG3  GLU  69           HG1      GLU  69  -7.378 -12.499   1.225
  576    H    ARG  70           HN       ARG  70  -8.439 -13.473  -0.726
  577    HA   ARG  70           HA       ARG  70 -10.816 -11.779  -0.416
  578    HB2  ARG  70           HB2      ARG  70 -11.109 -13.780  -1.815
  579    HB3  ARG  70           HB1      ARG  70 -10.571 -14.794  -0.481
  580    HG2  ARG  70           HG2      ARG  70 -12.508 -13.951   0.845
  581    HG3  ARG  70           HG1      ARG  70 -13.077 -13.134  -0.611
  582    HD2  ARG  70           HD2      ARG  70 -14.198 -15.280  -0.304
  583    HD3  ARG  70           HD1      ARG  70 -13.217 -15.277  -1.768
  584    HE   ARG  70           HE       ARG  70 -11.777 -16.815  -0.799
  585   HH11  ARG  70          HH11      ARG  70 -14.203 -15.789   1.509
  586   HH12  ARG  70          HH12      ARG  70 -13.872 -17.073   2.626
  587   HH21  ARG  70          HH21      ARG  70 -11.336 -18.510   0.674
  588   HH22  ARG  70          HH22      ARG  70 -12.244 -18.622   2.149
  589    H    ASN  71           HN       ASN  71 -10.910 -10.937   1.548
  590    HA   ASN  71           HA       ASN  71 -10.511 -12.678   3.867
  591    HB2  ASN  71           HB2      ASN  71  -8.385 -11.420   3.510
  592    HB3  ASN  71           HB1      ASN  71  -9.274  -9.923   3.593
  593   HD21  ASN  71          HD21      ASN  71  -7.753  -9.467   5.067
  594   HD22  ASN  71          HD22      ASN  71  -7.958  -9.989   6.662
  595    H    ASP  72           HN       ASP  72 -11.848 -12.200   5.578
  596    HA   ASP  72           HA       ASP  72 -14.379 -11.358   5.130
  597    HB2  ASP  72           HB2      ASP  72 -12.883 -11.032   7.738
  598    HB3  ASP  72           HB1      ASP  72 -14.632 -11.078   7.559
  599    H    ASP  73           HN       ASP  73 -11.877  -9.334   6.608
  600    HA   ASP  73           HA       ASP  73 -13.510  -6.930   6.072
  601    HB2  ASP  73           HB2      ASP  73 -11.361  -7.563   8.086
  602    HB3  ASP  73           HB1      ASP  73 -11.747  -5.902   7.661
  603    H    LEU  74           HN       LEU  74 -13.189  -6.193   4.337
  604    HA   LEU  74           HA       LEU  74 -11.290  -5.574   2.659
  605    HB2  LEU  74           HB2      LEU  74 -13.404  -4.495   2.646
  606    HB3  LEU  74           HB1      LEU  74 -13.127  -3.922   4.293
  607    HG   LEU  74           HG       LEU  74 -11.730  -2.165   3.567
  608   HD11  LEU  74          HD11      LEU  74 -11.095  -1.891   1.169
  609   HD12  LEU  74          HD12      LEU  74 -11.656  -3.544   0.900
  610   HD13  LEU  74          HD13      LEU  74 -10.318  -3.231   2.014
  611   HD21  LEU  74          HD21      LEU  74 -13.115  -0.954   1.938
  612   HD22  LEU  74          HD22      LEU  74 -14.074  -1.717   3.206
  613   HD23  LEU  74          HD23      LEU  74 -13.995  -2.445   1.602
  614    H    TYR  75           HN       TYR  75 -11.616  -4.171   5.857
  615    HA   TYR  75           HA       TYR  75  -9.640  -2.262   5.468
  616    HB2  TYR  75           HB2      TYR  75 -11.074  -3.248   7.927
  617    HB3  TYR  75           HB1      TYR  75  -9.749  -2.106   8.058
  618    HD1  TYR  75           HD1      TYR  75 -12.731  -2.130   8.644
  619    HD2  TYR  75           HD2      TYR  75 -10.242  -0.575   5.642
  620    HE1  TYR  75           HE1      TYR  75 -14.262  -0.370   8.309
  621    HE2  TYR  75           HE2      TYR  75 -11.759   1.194   5.270
  622    HH   TYR  75           HH       TYR  75 -14.287   1.658   5.636
  623    H    ALA  76           HN       ALA  76  -9.740  -5.504   6.443
  624    HA   ALA  76           HA       ALA  76  -7.204  -5.655   7.800
  625    HB1  ALA  76           HB1      ALA  76  -7.733  -7.972   8.047
  626    HB2  ALA  76           HB2      ALA  76  -8.966  -7.863   6.785
  627    HB3  ALA  76           HB3      ALA  76  -9.219  -7.056   8.338
  628    H    GLY  77           HN       GLY  77  -8.650  -6.272   4.697
  629    HA2  GLY  77           HA2      GLY  77  -6.458  -7.630   3.511
  630    HA3  GLY  77           HA1      GLY  77  -7.768  -6.788   2.685
  631    H    ILE  78           HN       ILE  78  -7.578  -4.262   3.287
  632    HA   ILE  78           HA       ILE  78  -5.297  -3.337   2.007
  633    HB   ILE  78           HB       ILE  78  -7.390  -1.869   3.629
  634   HG12  ILE  78          HG12      ILE  78  -6.939  -2.223   0.660
  635   HG13  ILE  78          HG11      ILE  78  -8.236  -2.933   1.615
  636   HG21  ILE  78          HG21      ILE  78  -5.349  -0.541   3.626
  637   HG22  ILE  78          HG22      ILE  78  -6.572   0.197   2.592
  638   HG23  ILE  78          HG23      ILE  78  -5.233  -0.697   1.873
  639   HD11  ILE  78          HD11      ILE  78  -7.834  -0.000   1.075
  640   HD12  ILE  78          HD12      ILE  78  -9.130  -0.699   2.045
  641   HD13  ILE  78          HD13      ILE  78  -9.033  -1.048   0.320
  642    H    ASP  79           HN       ASP  79  -6.023  -3.912   5.425
  643    HA   ASP  79           HA       ASP  79  -3.622  -2.661   6.485
  644    HB2  ASP  79           HB2      ASP  79  -5.514  -3.148   7.971
  645    HB3  ASP  79           HB1      ASP  79  -5.362  -4.867   7.624
  646    H    LEU  80           HN       LEU  80  -4.425  -6.003   5.512
  647    HA   LEU  80           HA       LEU  80  -1.925  -7.066   5.996
  648    HB2  LEU  80           HB2      LEU  80  -3.775  -7.565   3.658
  649    HB3  LEU  80           HB1      LEU  80  -2.314  -8.492   3.939
  650    HG   LEU  80           HG       LEU  80  -4.707  -8.361   5.779
  651   HD11  LEU  80          HD11      LEU  80  -5.141  -9.645   3.762
  652   HD12  LEU  80          HD12      LEU  80  -5.002 -10.711   5.161
  653   HD13  LEU  80          HD13      LEU  80  -3.665 -10.575   4.018
  654   HD21  LEU  80          HD21      LEU  80  -2.138  -9.926   6.003
  655   HD22  LEU  80          HD22      LEU  80  -3.553 -10.133   7.032
  656   HD23  LEU  80          HD23      LEU  80  -2.663  -8.613   7.057
  657    H    ILE  81           HN       ILE  81  -3.052  -5.376   3.036
  658    HA   ILE  81           HA       ILE  81  -0.443  -5.178   2.012
  659    HB   ILE  81           HB       ILE  81  -2.715  -4.752   0.829
  660   HG12  ILE  81          HG12      ILE  81  -0.262  -4.721   0.005
  661   HG13  ILE  81          HG11      ILE  81  -1.472  -3.925  -0.984
  662   HG21  ILE  81          HG21      ILE  81  -3.347  -2.785   2.167
  663   HG22  ILE  81          HG22      ILE  81  -3.248  -2.431   0.443
  664   HG23  ILE  81          HG23      ILE  81  -1.950  -1.924   1.522
  665   HD11  ILE  81          HD11      ILE  81   0.582  -2.679   0.806
  666   HD12  ILE  81          HD12      ILE  81  -0.790  -1.776   0.166
  667   HD13  ILE  81          HD13      ILE  81   0.385  -2.489  -0.935
  668    H    ASN  82           HN       ASN  82  -2.189  -2.865   4.124
  669    HA   ASN  82           HA       ASN  82  -0.282  -0.782   3.661
  670    HB2  ASN  82           HB2      ASN  82  -2.666  -0.422   4.431
  671    HB3  ASN  82           HB1      ASN  82  -2.164  -0.998   6.012
  672   HD21  ASN  82          HD21      ASN  82  -1.052   0.318   7.358
  673   HD22  ASN  82          HD22      ASN  82  -0.647   1.960   6.990
  674    H    ASN  83           HN       ASN  83  -0.653  -3.300   5.958
  675    HA   ASN  83           HA       ASN  83   1.325  -2.284   7.778
  676    HB2  ASN  83           HB2      ASN  83   0.109  -3.575   9.147
  677    HB3  ASN  83           HB1      ASN  83  -0.898  -4.009   7.746
  678   HD21  ASN  83          HD21      ASN  83  -1.380  -6.012   8.404
  679   HD22  ASN  83          HD22      ASN  83  -0.241  -7.307   8.570
  680    H    LYS  84           HN       LYS  84   1.025  -4.921   5.406
  681    HA   LYS  84           HA       LYS  84   3.790  -5.625   5.423
  682    HB2  LYS  84           HB2      LYS  84   1.677  -5.862   3.286
  683    HB3  LYS  84           HB1      LYS  84   3.337  -6.366   3.014
  684    HG2  LYS  84           HG2      LYS  84   3.139  -7.968   4.864
  685    HG3  LYS  84           HG1      LYS  84   1.457  -7.476   5.089
  686    HD2  LYS  84           HD2      LYS  84   0.970  -8.163   2.773
  687    HD3  LYS  84           HD1      LYS  84   2.639  -8.700   2.594
  688    HE2  LYS  84           HE2      LYS  84   0.650  -9.786   4.583
  689    HE3  LYS  84           HE1      LYS  84   1.098 -10.556   3.063
  690    HZ1  LYS  84           HZ1      LYS  84   3.376 -10.729   3.873
  691    HZ2  LYS  84           HZ2      LYS  84   2.298 -11.520   4.907
  692    HZ3  LYS  84           HZ3      LYS  84   2.924 -10.013   5.338
  693    H    LEU  85           HN       LEU  85   1.991  -3.024   4.041
  694    HA   LEU  85           HA       LEU  85   3.912  -2.073   2.208
  695    HB2  LEU  85           HB2      LEU  85   1.550  -1.359   2.180
  696    HB3  LEU  85           HB1      LEU  85   1.780  -0.549   3.713
  697    HG   LEU  85           HG       LEU  85   3.508   0.293   1.440
  698   HD11  LEU  85          HD11      LEU  85   1.778   1.810   0.628
  699   HD12  LEU  85          HD12      LEU  85   0.615   1.088   1.739
  700   HD13  LEU  85          HD13      LEU  85   1.291   0.127   0.424
  701   HD21  LEU  85          HD21      LEU  85   3.792   1.279   3.658
  702   HD22  LEU  85          HD22      LEU  85   2.096   1.761   3.666
  703   HD23  LEU  85          HD23      LEU  85   3.212   2.477   2.503
  704    H    GLU  86           HN       GLU  86   3.077  -1.010   5.492
  705    HA   GLU  86           HA       GLU  86   5.158   0.691   5.995
  706    HB2  GLU  86           HB2      GLU  86   3.309   0.092   7.560
  707    HB3  GLU  86           HB1      GLU  86   4.096  -1.448   7.859
  708    HG2  GLU  86           HG2      GLU  86   4.548   0.077   9.662
  709    HG3  GLU  86           HG1      GLU  86   6.035  -0.270   8.781
  710    H    ARG  87           HN       ARG  87   5.073  -2.834   6.451
  711    HA   ARG  87           HA       ARG  87   7.714  -3.217   7.195
  712    HB2  ARG  87           HB2      ARG  87   5.768  -4.921   5.867
  713    HB3  ARG  87           HB1      ARG  87   7.370  -5.526   6.170
  714    HG2  ARG  87           HG2      ARG  87   7.038  -5.136   8.560
  715    HG3  ARG  87           HG1      ARG  87   5.410  -4.536   8.233
  716    HD2  ARG  87           HD2      ARG  87   5.456  -6.901   8.983
  717    HD3  ARG  87           HD1      ARG  87   4.730  -6.685   7.389
  718    HE   ARG  87           HE       ARG  87   7.475  -7.237   7.102
  719   HH11  ARG  87          HH11      ARG  87   4.521  -8.844   8.076
  720   HH12  ARG  87          HH12      ARG  87   5.038 -10.401   7.509
  721   HH21  ARG  87          HH21      ARG  87   8.155  -9.279   6.360
  722   HH22  ARG  87          HH22      ARG  87   7.102 -10.647   6.533
  723    H    GLN  88           HN       GLN  88   6.392  -3.003   3.926
  724    HA   GLN  88           HA       GLN  88   8.833  -4.119   2.780
  725    HB2  GLN  88           HB2      GLN  88   6.081  -3.728   1.919
  726    HB3  GLN  88           HB1      GLN  88   7.244  -3.274   0.692
  727    HG2  GLN  88           HG2      GLN  88   8.281  -5.516   0.924
  728    HG3  GLN  88           HG1      GLN  88   6.998  -5.947   2.054
  729   HE21  GLN  88          HE21      GLN  88   6.207  -7.584   0.768
  730   HE22  GLN  88          HE22      GLN  88   5.355  -7.285  -0.706
  731    H    VAL  89           HN       VAL  89   6.802  -1.341   2.523
  732    HA   VAL  89           HA       VAL  89   8.263   0.363   1.038
  733    HB   VAL  89           HB       VAL  89   6.335   0.690   3.249
  734   HG11  VAL  89          HG11      VAL  89   7.808   3.030   1.987
  735   HG12  VAL  89          HG12      VAL  89   7.921   2.527   3.674
  736   HG13  VAL  89          HG13      VAL  89   6.400   3.157   3.041
  737   HG21  VAL  89          HG21      VAL  89   5.579   0.211   0.990
  738   HG22  VAL  89          HG22      VAL  89   6.403   1.647   0.387
  739   HG23  VAL  89          HG23      VAL  89   5.043   1.812   1.496
  740    H    ARG  90           HN       ARG  90   8.485  -0.098   4.532
  741    HA   ARG  90           HA       ARG  90  10.687   1.759   4.662
  742    HB2  ARG  90           HB2      ARG  90  10.944   1.307   6.964
  743    HB3  ARG  90           HB1      ARG  90   9.218   1.420   6.630
  744    HG2  ARG  90           HG2      ARG  90   9.164  -1.087   6.602
  745    HG3  ARG  90           HG1      ARG  90  10.838  -1.059   7.168
  746    HD2  ARG  90           HD2      ARG  90   8.448   0.148   8.560
  747    HD3  ARG  90           HD1      ARG  90   9.318  -1.307   9.047
  748    HE   ARG  90           HE       ARG  90  11.267   0.166   9.438
  749   HH11  ARG  90          HH11      ARG  90   8.073   1.634   9.340
  750   HH12  ARG  90          HH12      ARG  90   8.521   2.940  10.390
  751   HH21  ARG  90          HH21      ARG  90  11.842   1.896  10.789
  752   HH22  ARG  90          HH22      ARG  90  10.663   3.102  11.196
  753    H    LYS  91           HN       LYS  91  10.472  -1.792   4.544
  754    HA   LYS  91           HA       LYS  91  13.160  -2.297   4.984
  755    HB2  LYS  91           HB2      LYS  91  11.543  -4.043   4.926
  756    HB3  LYS  91           HB1      LYS  91  11.345  -3.692   3.253
  757    HG2  LYS  91           HG2      LYS  91  13.553  -4.442   2.714
  758    HG3  LYS  91           HG1      LYS  91  13.896  -4.668   4.430
  759    HD2  LYS  91           HD2      LYS  91  11.760  -6.160   2.906
  760    HD3  LYS  91           HD1      LYS  91  13.381  -6.783   3.216
  761    HE2  LYS  91           HE2      LYS  91  12.973  -6.617   5.628
  762    HE3  LYS  91           HE1      LYS  91  11.353  -6.004   5.310
  763    HZ1  LYS  91           HZ1      LYS  91  12.360  -8.676   4.507
  764    HZ2  LYS  91           HZ2      LYS  91  10.797  -8.091   4.252
  765    HZ3  LYS  91           HZ3      LYS  91  11.348  -8.368   5.825
  766    H    TYR  92           HN       TYR  92  11.419  -1.493   2.112
  767    HA   TYR  92           HA       TYR  92  13.614  -1.701   0.317
  768    HB2  TYR  92           HB2      TYR  92  11.132  -1.766  -0.264
  769    HB3  TYR  92           HB1      TYR  92  11.141  -0.017  -0.083
  770    HD1  TYR  92           HD1      TYR  92  11.882   1.382  -1.844
  771    HD2  TYR  92           HD2      TYR  92  12.610  -2.807  -2.025
  772    HE1  TYR  92           HE1      TYR  92  12.608   1.613  -4.183
  773    HE2  TYR  92           HE2      TYR  92  13.341  -2.585  -4.360
  774    HH   TYR  92           HH       TYR  92  14.001   0.419  -5.812
  775    H    LYS  93           HN       LYS  93  11.912   1.183   1.600
  776    HA   LYS  93           HA       LYS  93  13.691   3.000   0.379
  777    HB2  LYS  93           HB2      LYS  93  12.379   4.645   1.234
  778    HB3  LYS  93           HB1      LYS  93  11.284   3.309   1.554
  779    HG2  LYS  93           HG2      LYS  93  12.037   3.186   3.847
  780    HG3  LYS  93           HG1      LYS  93  13.261   4.408   3.540
  781    HD2  LYS  93           HD2      LYS  93  10.286   4.854   3.327
  782    HD3  LYS  93           HD1      LYS  93  11.292   5.325   4.698
  783    HE2  LYS  93           HE2      LYS  93  12.691   6.579   2.900
  784    HE3  LYS  93           HE1      LYS  93  11.236   6.433   1.919
  785    HZ1  LYS  93           HZ1      LYS  93  11.235   8.517   3.088
  786    HZ2  LYS  93           HZ2      LYS  93  11.440   7.738   4.574
  787    HZ3  LYS  93           HZ3      LYS  93  10.003   7.538   3.712
  788    H    THR  94           HN       THR  94  13.651   1.504   3.581
  789    HA   THR  94           HA       THR  94  15.735   3.158   4.567
  790    HB   THR  94           HB       THR  94  14.422   0.663   5.626
  791    HG1  THR  94           HG1      THR  94  14.537   3.403   6.392
  792   HG21  THR  94          HG21      THR  94  16.692   2.167   6.949
  793   HG22  THR  94          HG22      THR  94  16.809   0.545   6.269
  794   HG23  THR  94          HG23      THR  94  15.763   0.845   7.656
  795    H    ARG  95           HN       ARG  95  15.631  -0.123   3.140
  796    HA   ARG  95           HA       ARG  95  18.395  -0.634   3.397
  797    HB2  ARG  95           HB2      ARG  95  16.807  -2.386   2.747
  798    HB3  ARG  95           HB1      ARG  95  16.501  -1.556   1.227
  799    HG2  ARG  95           HG2      ARG  95  18.828  -1.898   0.568
  800    HG3  ARG  95           HG1      ARG  95  19.137  -2.727   2.094
  801    HD2  ARG  95           HD2      ARG  95  17.508  -4.443   1.496
  802    HD3  ARG  95           HD1      ARG  95  17.172  -3.607  -0.018
  803    HE   ARG  95           HE       ARG  95  19.841  -4.016  -0.130
  804   HH11  ARG  95          HH11      ARG  95  17.142  -6.162   0.495
  805   HH12  ARG  95          HH12      ARG  95  17.915  -7.540  -0.219
  806   HH21  ARG  95          HH21      ARG  95  20.860  -5.827  -1.047
  807   HH22  ARG  95          HH22      ARG  95  20.033  -7.351  -1.096
  808    H    ILE  96           HN       ILE  96  16.524   0.987   0.865
  809    HA   ILE  96           HA       ILE  96  18.762   1.447  -0.832
  810    HB   ILE  96           HB       ILE  96  15.931   2.334  -0.769
  811   HG12  ILE  96          HG12      ILE  96  16.029   1.585  -3.131
  812   HG13  ILE  96          HG11      ILE  96  17.748   1.270  -2.940
  813   HG21  ILE  96          HG21      ILE  96  17.019   4.470  -1.112
  814   HG22  ILE  96          HG22      ILE  96  16.254   3.931  -2.607
  815   HG23  ILE  96          HG23      ILE  96  17.999   3.786  -2.407
  816   HD11  ILE  96          HD11      ILE  96  16.460  -0.776  -2.813
  817   HD12  ILE  96          HD12      ILE  96  15.525  -0.120  -1.468
  818   HD13  ILE  96          HD13      ILE  96  17.250  -0.438  -1.272
  819    H    ASN  97           HN       ASN  97  17.412   3.201   1.874
  820    HA   ASN  97           HA       ASN  97  19.100   5.515   1.294
  821    HB2  ASN  97           HB2      ASN  97  16.670   5.707   2.062
  822    HB3  ASN  97           HB1      ASN  97  17.241   5.201   3.646
  823   HD21  ASN  97          HD21      ASN  97  18.904   7.283   1.338
  824   HD22  ASN  97          HD22      ASN  97  18.900   8.691   2.340
  825    H    ARG  98           HN       ARG  98  19.275   2.635   2.956
  826    HA   ARG  98           HA       ARG  98  20.436   2.977   5.348
  827    HB2  ARG  98           HB2      ARG  98  20.041   0.804   4.394
  828    HB3  ARG  98           HB1      ARG  98  21.289   1.062   3.185
  829    HG2  ARG  98           HG2      ARG  98  22.976   1.125   4.975
  830    HG3  ARG  98           HG1      ARG  98  21.706   0.779   6.151
  831    HD2  ARG  98           HD2      ARG  98  22.981  -1.232   5.440
  832    HD3  ARG  98           HD1      ARG  98  21.249  -1.339   5.123
  833    HE   ARG  98           HE       ARG  98  22.695  -0.327   2.874
  834   HH11  ARG  98          HH11      ARG  98  21.843  -3.274   4.561
  835   HH12  ARG  98          HH12      ARG  98  21.971  -4.265   3.143
  836   HH21  ARG  98          HH21      ARG  98  22.851  -1.584   1.027
  837   HH22  ARG  98          HH22      ARG  98  22.577  -3.302   1.114
  838    H    LYS  99           HN       LYS  99  22.661   2.565   2.520
  839    HA   LYS  99           HA       LYS  99  24.613   4.008   4.145
  840    HB2  LYS  99           HB2      LYS  99  25.262   1.827   3.211
  841    HB3  LYS  99           HB1      LYS  99  25.031   2.458   1.590
  842    HG2  LYS  99           HG2      LYS  99  27.378   2.403   2.145
  843    HG3  LYS  99           HG1      LYS  99  26.840   4.072   1.967
  844    HD2  LYS  99           HD2      LYS  99  26.815   2.858   4.687
  845    HD3  LYS  99           HD1      LYS  99  28.370   3.307   3.988
  846    HE2  LYS  99           HE2      LYS  99  27.629   5.587   3.705
  847    HE3  LYS  99           HE1      LYS  99  26.011   5.172   4.252
  848    HZ1  LYS  99           HZ1      LYS  99  27.015   4.547   6.411
  849    HZ2  LYS  99           HZ2      LYS  99  27.170   6.188   6.039
  850    HZ3  LYS  99           HZ3      LYS  99  28.498   5.153   5.864
  851    H    SER 100           HN       SER 100  24.276   3.928   0.608
  852    HA   SER 100           HA       SER 100  24.143   6.865   0.675
  853    HB2  SER 100           HB2      SER 100  25.392   5.142  -1.476
  854    HB3  SER 100           HB1      SER 100  25.318   6.904  -1.475
  855    HG   SER 100           HG       SER 100  26.366   5.995   0.839
  856    H    ARG 101           HN       ARG 101  23.723   4.656  -2.026
  857    HA   ARG 101           HA       ARG 101  20.893   5.437  -2.206
  858    HB2  ARG 101           HB2      ARG 101  22.784   4.943  -4.515
  859    HB3  ARG 101           HB1      ARG 101  21.083   5.359  -4.649
  860    HG2  ARG 101           HG2      ARG 101  21.614   7.501  -3.455
  861    HG3  ARG 101           HG1      ARG 101  23.320   7.082  -3.618
  862    HD2  ARG 101           HD2      ARG 101  22.744   8.547  -5.415
  863    HD3  ARG 101           HD1      ARG 101  22.973   6.932  -6.082
  864    HE   ARG 101           HE       ARG 101  20.382   6.867  -5.784
  865   HH11  ARG 101          HH11      ARG 101  22.326   9.564  -6.887
  866   HH12  ARG 101          HH12      ARG 101  21.052  10.260  -7.834
  867   HH21  ARG 101          HH21      ARG 101  18.703   7.787  -7.027
  868   HH22  ARG 101          HH22      ARG 101  18.989   9.260  -7.898
  869    H    ASP 102           HN       ASP 102  23.305   2.975  -2.399
  870    HA   ASP 102           HA       ASP 102  23.225   0.721  -2.301
  871    HB2  ASP 102           HB2      ASP 102  20.690   1.468  -0.857
  872    HB3  ASP 102           HB1      ASP 102  21.275  -0.189  -0.942
  873    H    ARG 103           HN       ARG 103  22.959   0.938  -4.699
  874    HA   ARG 103           HA       ARG 103  20.398   0.159  -5.771
  875    HB2  ARG 103           HB2      ARG 103  23.113   0.566  -7.018
  876    HB3  ARG 103           HB1      ARG 103  21.711   0.027  -7.933
  877    HG2  ARG 103           HG2      ARG 103  20.535   2.058  -7.436
  878    HG3  ARG 103           HG1      ARG 103  21.833   2.590  -6.364
  879    HD2  ARG 103           HD2      ARG 103  23.353   2.774  -8.209
  880    HD3  ARG 103           HD1      ARG 103  22.179   2.052  -9.307
  881    HE   ARG 103           HE       ARG 103  20.785   4.068  -8.868
  882   HH11  ARG 103          HH11      ARG 103  24.247   4.210  -8.362
  883   HH12  ARG 103          HH12      ARG 103  24.359   5.902  -8.720
  884   HH21  ARG 103          HH21      ARG 103  20.923   6.295  -9.346
  885   HH22  ARG 103          HH22      ARG 103  22.462   7.097  -9.274
  886    H    GLY 104           HN       GLY 104  23.623  -1.347  -5.531
  887    HA2  GLY 104           HA2      GLY 104  22.254  -3.949  -5.846
  888    HA3  GLY 104           HA1      GLY 104  23.887  -3.635  -6.414
  889    H    ASP 105           HN       ASP 105  23.546  -5.780  -4.881
  890    HA   ASP 105           HA       ASP 105  24.191  -5.103  -2.121
  891    HB2  ASP 105           HB2      ASP 105  22.679  -6.975  -2.483
  892    HB3  ASP 105           HB1      ASP 105  23.858  -7.766  -3.524
  893    H    GLN 106           HN       GLN 106  25.722  -5.687  -5.053
  894    HA   GLN 106           HA       GLN 106  28.110  -6.941  -4.154
  895    HB2  GLN 106           HB2      GLN 106  27.270  -7.062  -6.466
  896    HB3  GLN 106           HB1      GLN 106  27.556  -5.341  -6.654
  897    HG2  GLN 106           HG2      GLN 106  29.954  -5.718  -6.320
  898    HG3  GLN 106           HG1      GLN 106  29.647  -7.449  -6.182
  899   HE21  GLN 106          HE21      GLN 106  27.889  -5.390  -8.373
  900   HE22  GLN 106          HE22      GLN 106  28.572  -6.024  -9.827
  901    H    GLU 107           HN       GLU 107  27.046  -3.630  -4.437
  902    HA   GLU 107           HA       GLU 107  29.698  -2.533  -4.224
  903    HB2  GLU 107           HB2      GLU 107  28.463  -0.343  -4.095
  904    HB3  GLU 107           HB1      GLU 107  28.172  -1.289  -5.544
  905    HG2  GLU 107           HG2      GLU 107  26.070  -2.124  -4.455
  906    HG3  GLU 107           HG1      GLU 107  26.345  -0.928  -3.188
  907    H    VAL 108           HN       VAL 108  30.077  -3.812  -2.216
  908    HA   VAL 108           HA       VAL 108  28.939  -2.643   0.200
  909    HB   VAL 108           HB       VAL 108  30.288  -4.342   1.406
  910   HG11  VAL 108          HG11      VAL 108  27.998  -4.839   0.760
  911   HG12  VAL 108          HG12      VAL 108  28.997  -6.289   0.652
  912   HG13  VAL 108          HG13      VAL 108  28.549  -5.415  -0.813
  913   HG21  VAL 108          HG21      VAL 108  31.392  -6.124   0.133
  914   HG22  VAL 108          HG22      VAL 108  32.135  -4.553  -0.170
  915   HG23  VAL 108          HG23      VAL 108  31.049  -5.260  -1.366
  916    H    PHE 109           HN       PHE 109  31.077  -1.497  -1.794
  917    HA   PHE 109           HA       PHE 109  32.910  -0.568   0.314
  918    HB2  PHE 109           HB2      PHE 109  33.496  -0.836  -2.645
  919    HB3  PHE 109           HB1      PHE 109  34.616  -0.253  -1.420
  920    HD1  PHE 109           HD1      PHE 109  33.529  -3.063  -3.239
  921    HD2  PHE 109           HD2      PHE 109  35.100  -1.898   0.539
  922    HE1  PHE 109           HE1      PHE 109  34.295  -5.367  -2.855
  923    HE2  PHE 109           HE2      PHE 109  35.872  -4.201   0.930
  924    HZ   PHE 109           HZ       PHE 109  35.471  -5.939  -0.766
  925    H    VAL 110           HN       VAL 110  32.831   1.534   0.742
  926    HA   VAL 110           HA       VAL 110  31.779   3.363  -1.306
  927    HB   VAL 110           HB       VAL 110  31.006   3.418   1.622
  928   HG11  VAL 110          HG11      VAL 110  29.517   5.254   0.980
  929   HG12  VAL 110          HG12      VAL 110  30.173   5.206  -0.657
  930   HG13  VAL 110          HG13      VAL 110  31.211   5.656   0.696
  931   HG21  VAL 110          HG21      VAL 110  29.380   2.750  -0.829
  932   HG22  VAL 110          HG22      VAL 110  28.728   2.961   0.795
  933   HG23  VAL 110          HG23      VAL 110  29.846   1.640   0.460
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1   3.355  13.486  -6.721
    2    H2   MET   1           HT2      MET   1   2.747  15.050  -6.941
    3    H3   MET   1           HT3      MET   1   1.854  13.715  -7.464
    4    HA   MET   1           HA       MET   1   2.514  14.343  -4.652
    5    HB2  MET   1           HB2      MET   1   0.032  14.731  -6.310
    6    HB3  MET   1           HB1      MET   1  -0.046  14.599  -4.560
    7    HG2  MET   1           HG2      MET   1  -0.046  16.909  -5.205
    8    HG3  MET   1           HG1      MET   1   1.451  16.531  -4.361
    9    HE1  MET   1           HE1      MET   1   0.996  19.170  -6.063
   10    HE2  MET   1           HE2      MET   1   2.517  19.281  -6.949
   11    HE3  MET   1           HE3      MET   1   2.518  18.811  -5.249
   12    H    ILE   2           HN       ILE   2   0.649  13.141  -3.328
   13    HA   ILE   2           HA       ILE   2   0.758  10.325  -4.173
   14    HB   ILE   2           HB       ILE   2   1.886  10.518  -2.106
   15   HG12  ILE   2          HG12      ILE   2  -0.945   9.688  -1.431
   16   HG13  ILE   2          HG11      ILE   2   0.258   8.658  -2.198
   17   HG21  ILE   2          HG21      ILE   2  -0.413  12.187  -1.108
   18   HG22  ILE   2          HG22      ILE   2   1.221  12.742  -1.473
   19   HG23  ILE   2          HG23      ILE   2   0.946  11.639  -0.126
   20   HD11  ILE   2          HD11      ILE   2   0.057   8.166   0.169
   21   HD12  ILE   2          HD12      ILE   2   0.446   9.840   0.564
   22   HD13  ILE   2          HD13      ILE   2   1.657   8.810  -0.201
   23    H    ARG   3           HN       ARG   3  -1.090   9.471  -4.861
   24    HA   ARG   3           HA       ARG   3  -3.631  10.578  -3.944
   25    HB2  ARG   3           HB2      ARG   3  -4.252   9.911  -6.396
   26    HB3  ARG   3           HB1      ARG   3  -3.572  11.486  -6.049
   27    HG2  ARG   3           HG2      ARG   3  -1.398  10.714  -6.764
   28    HG3  ARG   3           HG1      ARG   3  -2.025   9.082  -6.997
   29    HD2  ARG   3           HD2      ARG   3  -1.834  10.294  -9.117
   30    HD3  ARG   3           HD1      ARG   3  -3.509   9.882  -8.746
   31    HE   ARG   3           HE       ARG   3  -3.134  12.411  -7.741
   32   HH11  ARG   3          HH11      ARG   3  -2.882  10.870 -10.872
   33   HH12  ARG   3          HH12      ARG   3  -3.297  12.308 -11.752
   34   HH21  ARG   3          HH21      ARG   3  -3.694  14.299  -8.889
   35   HH22  ARG   3          HH22      ARG   3  -3.753  14.258 -10.622
   36    H    PHE   4           HN       PHE   4  -5.367   9.120  -3.917
   37    HA   PHE   4           HA       PHE   4  -4.644   6.298  -4.245
   38    HB2  PHE   4           HB2      PHE   4  -6.360   5.815  -2.525
   39    HB3  PHE   4           HB1      PHE   4  -5.055   6.833  -1.936
   40    HD1  PHE   4           HD1      PHE   4  -5.433   9.255  -1.582
   41    HD2  PHE   4           HD2      PHE   4  -8.602   6.577  -2.508
   42    HE1  PHE   4           HE1      PHE   4  -7.060  10.900  -0.757
   43    HE2  PHE   4           HE2      PHE   4 -10.236   8.220  -1.693
   44    HZ   PHE   4           HZ       PHE   4  -9.466  10.384  -0.815
   45    H    GLU   5           HN       GLU   5  -5.899   5.022  -5.475
   46    HA   GLU   5           HA       GLU   5  -8.310   6.152  -6.713
   47    HB2  GLU   5           HB2      GLU   5  -6.372   4.407  -8.202
   48    HB3  GLU   5           HB1      GLU   5  -7.591   5.476  -8.838
   49    HG2  GLU   5           HG2      GLU   5  -6.268   7.398  -8.396
   50    HG3  GLU   5           HG1      GLU   5  -5.107   6.441  -7.471
   51    H    ILE   6           HN       ILE   6  -9.760   4.902  -5.717
   52    HA   ILE   6           HA       ILE   6  -9.235   2.031  -5.568
   53    HB   ILE   6           HB       ILE   6 -11.421   3.764  -4.425
   54   HG12  ILE   6          HG12      ILE   6 -10.351   2.607  -2.274
   55   HG13  ILE   6          HG11      ILE   6  -8.947   2.529  -3.333
   56   HG21  ILE   6          HG21      ILE   6 -12.318   1.508  -5.056
   57   HG22  ILE   6          HG22      ILE   6 -12.329   1.777  -3.313
   58   HG23  ILE   6          HG23      ILE   6 -11.081   0.768  -4.039
   59   HD11  ILE   6          HD11      ILE   6 -10.441   4.979  -2.441
   60   HD12  ILE   6          HD12      ILE   6  -9.200   4.985  -3.698
   61   HD13  ILE   6          HD13      ILE   6  -8.783   4.513  -2.052
   62    H    HIS   7           HN       HIS   7 -10.211   0.646  -6.775
   63    HA   HIS   7           HA       HIS   7 -12.604   1.435  -8.348
   64    HB2  HIS   7           HB2      HIS   7 -10.351  -0.418  -8.996
   65    HB3  HIS   7           HB1      HIS   7 -11.950  -0.704  -9.660
   66    HD1  HIS   7           HD1      HIS   7 -12.317   0.334 -11.872
   67    HD2  HIS   7           HD2      HIS   7  -9.457   2.391  -9.672
   68    HE1  HIS   7           HE1      HIS   7 -11.464   2.141 -13.397
   69    HE2  HIS   7           HE2      HIS   7  -9.898   3.500 -11.966
   70    H    GLY   8           HN       GLY   8 -14.126   0.752  -6.815
   71    HA2  GLY   8           HA2      GLY   8 -13.572  -1.905  -5.832
   72    HA3  GLY   8           HA1      GLY   8 -14.678  -0.784  -5.041
   73    H    ASP   9           HN       ASP   9 -14.693  -3.619  -6.559
   74    HA   ASP   9           HA       ASP   9 -17.114  -3.129  -8.153
   75    HB2  ASP   9           HB2      ASP   9 -15.120  -5.394  -8.172
   76    HB3  ASP   9           HB1      ASP   9 -16.682  -5.511  -8.973
   77    H    ASN  10           HN       ASN  10 -18.932  -4.463  -7.889
   78    HA   ASN  10           HA       ASN  10 -20.527  -5.626  -6.773
   79    HB2  ASN  10           HB2      ASN  10 -18.204  -6.723  -5.182
   80    HB3  ASN  10           HB1      ASN  10 -19.868  -7.267  -5.007
   81   HD21  ASN  10          HD21      ASN  10 -20.491  -7.083  -7.821
   82   HD22  ASN  10          HD22      ASN  10 -19.671  -8.395  -8.589
   83    H    LEU  11           HN       LEU  11 -18.105  -4.396  -4.499
   84    HA   LEU  11           HA       LEU  11 -20.209  -3.408  -2.746
   85    HB2  LEU  11           HB2      LEU  11 -18.224  -4.439  -1.742
   86    HB3  LEU  11           HB1      LEU  11 -17.198  -3.261  -2.534
   87    HG   LEU  11           HG       LEU  11 -18.324  -1.469  -1.209
   88   HD11  LEU  11          HD11      LEU  11 -19.614  -2.137   0.768
   89   HD12  LEU  11          HD12      LEU  11 -19.573  -3.812   0.214
   90   HD13  LEU  11          HD13      LEU  11 -20.418  -2.588  -0.736
   91   HD21  LEU  11          HD21      LEU  11 -17.170  -1.976   0.881
   92   HD22  LEU  11          HD22      LEU  11 -16.179  -2.401  -0.515
   93   HD23  LEU  11          HD23      LEU  11 -17.013  -3.662   0.391
   94    H    THR  12           HN       THR  12 -21.153  -1.625  -3.504
   95    HA   THR  12           HA       THR  12 -19.760   0.382  -4.982
   96    HB   THR  12           HB       THR  12 -21.860   1.733  -4.600
   97    HG1  THR  12           HG1      THR  12 -22.304  -0.352  -2.849
   98   HG21  THR  12          HG21      THR  12 -23.268   0.314  -6.027
   99   HG22  THR  12          HG22      THR  12 -22.209  -1.058  -5.701
  100   HG23  THR  12          HG23      THR  12 -21.595   0.339  -6.585
  101    H    ILE  13           HN       ILE  13 -17.982   0.765  -3.556
  102    HA   ILE  13           HA       ILE  13 -18.179   1.490  -0.888
  103    HB   ILE  13           HB       ILE  13 -15.948   2.710  -1.295
  104   HG12  ILE  13          HG12      ILE  13 -14.857   1.643  -3.431
  105   HG13  ILE  13          HG11      ILE  13 -16.511   1.587  -4.020
  106   HG21  ILE  13          HG21      ILE  13 -16.252  -0.226  -1.886
  107   HG22  ILE  13          HG22      ILE  13 -16.119   0.523  -0.295
  108   HG23  ILE  13          HG23      ILE  13 -14.752   0.569  -1.409
  109   HD11  ILE  13          HD11      ILE  13 -15.031   4.056  -3.151
  110   HD12  ILE  13          HD12      ILE  13 -16.691   4.003  -3.746
  111   HD13  ILE  13          HD13      ILE  13 -15.356   3.564  -4.813
  112    H    THR  14           HN       THR  14 -18.607   3.274   0.205
  113    HA   THR  14           HA       THR  14 -19.560   5.556  -1.361
  114    HB   THR  14           HB       THR  14 -20.677   6.202   0.828
  115    HG1  THR  14           HG1      THR  14 -20.547   3.546   1.644
  116   HG21  THR  14          HG21      THR  14 -21.870   5.156  -1.058
  117   HG22  THR  14          HG22      THR  14 -22.525   4.658   0.502
  118   HG23  THR  14          HG23      THR  14 -21.478   3.565  -0.405
  119    H    ASP  15           HN       ASP  15 -19.471   7.650   0.244
  120    HA   ASP  15           HA       ASP  15 -16.781   8.439   0.182
  121    HB2  ASP  15           HB2      ASP  15 -18.731   9.997   0.095
  122    HB3  ASP  15           HB1      ASP  15 -18.985   9.709   1.815
  123    H    ALA  16           HN       ALA  16 -18.659   6.871   2.605
  124    HA   ALA  16           HA       ALA  16 -17.383   7.318   4.981
  125    HB1  ALA  16           HB1      ALA  16 -18.230   4.628   3.918
  126    HB2  ALA  16           HB2      ALA  16 -19.315   5.822   4.644
  127    HB3  ALA  16           HB3      ALA  16 -18.045   5.076   5.616
  128    H    ILE  17           HN       ILE  17 -16.578   4.582   2.886
  129    HA   ILE  17           HA       ILE  17 -14.139   3.997   4.226
  130    HB   ILE  17           HB       ILE  17 -15.289   3.091   1.607
  131   HG12  ILE  17          HG12      ILE  17 -15.345   0.873   2.946
  132   HG13  ILE  17          HG11      ILE  17 -15.035   1.879   4.362
  133   HG21  ILE  17          HG21      ILE  17 -12.767   2.103   2.933
  134   HG22  ILE  17          HG22      ILE  17 -12.874   2.991   1.413
  135   HG23  ILE  17          HG23      ILE  17 -13.544   1.362   1.533
  136   HD11  ILE  17          HD11      ILE  17 -17.393   2.206   2.524
  137   HD12  ILE  17          HD12      ILE  17 -17.104   3.038   4.052
  138   HD13  ILE  17          HD13      ILE  17 -17.413   1.303   4.038
  139    H    ARG  18           HN       ARG  18 -15.012   5.655   1.250
  140    HA   ARG  18           HA       ARG  18 -12.481   5.911   0.184
  141    HB2  ARG  18           HB2      ARG  18 -14.823   7.823   0.037
  142    HB3  ARG  18           HB1      ARG  18 -13.370   7.994  -0.935
  143    HG2  ARG  18           HG2      ARG  18 -13.804   5.915  -2.052
  144    HG3  ARG  18           HG1      ARG  18 -15.168   5.581  -0.982
  145    HD2  ARG  18           HD2      ARG  18 -15.963   6.393  -3.125
  146    HD3  ARG  18           HD1      ARG  18 -16.324   7.561  -1.857
  147    HE   ARG  18           HE       ARG  18 -13.863   8.216  -3.066
  148   HH11  ARG  18          HH11      ARG  18 -17.301   8.226  -3.731
  149   HH12  ARG  18          HH12      ARG  18 -17.203   9.530  -4.872
  150   HH21  ARG  18          HH21      ARG  18 -13.736   9.938  -4.569
  151   HH22  ARG  18          HH22      ARG  18 -15.184  10.507  -5.338
  152    H    ASN  19           HN       ASN  19 -14.262   7.952   2.446
  153    HA   ASN  19           HA       ASN  19 -12.263   9.813   3.065
  154    HB2  ASN  19           HB2      ASN  19 -14.575  10.129   3.774
  155    HB3  ASN  19           HB1      ASN  19 -14.488   8.697   4.789
  156   HD21  ASN  19          HD21      ASN  19 -13.585  12.019   4.440
  157   HD22  ASN  19          HD22      ASN  19 -13.041  12.252   6.064
  158    H    TYR  20           HN       TYR  20 -13.095   6.709   4.598
  159    HA   TYR  20           HA       TYR  20 -11.230   6.639   6.644
  160    HB2  TYR  20           HB2      TYR  20 -13.105   4.913   5.805
  161    HB3  TYR  20           HB1      TYR  20 -11.705   4.134   5.084
  162    HD1  TYR  20           HD1      TYR  20 -13.692   3.322   7.427
  163    HD2  TYR  20           HD2      TYR  20  -9.693   4.758   7.266
  164    HE1  TYR  20           HE1      TYR  20 -13.216   2.221   9.573
  165    HE2  TYR  20           HE2      TYR  20  -9.208   3.657   9.407
  166    HH   TYR  20           HH       TYR  20 -11.343   1.397  10.847
  167    H    ILE  21           HN       ILE  21 -10.795   6.068   3.219
  168    HA   ILE  21           HA       ILE  21  -8.155   4.889   3.542
  169    HB   ILE  21           HB       ILE  21  -9.775   5.674   1.125
  170   HG12  ILE  21          HG12      ILE  21  -9.216   2.952   2.341
  171   HG13  ILE  21          HG11      ILE  21 -10.759   3.797   2.353
  172   HG21  ILE  21          HG21      ILE  21  -8.130   4.324  -0.170
  173   HG22  ILE  21          HG22      ILE  21  -7.163   4.160   1.294
  174   HG23  ILE  21          HG23      ILE  21  -7.418   5.752   0.580
  175   HD11  ILE  21          HD11      ILE  21  -9.330   2.761  -0.082
  176   HD12  ILE  21          HD12      ILE  21 -10.875   3.613  -0.078
  177   HD13  ILE  21          HD13      ILE  21 -10.737   2.033   0.695
  178    H    GLU  22           HN       GLU  22  -9.870   7.756   2.876
  179    HA   GLU  22           HA       GLU  22  -7.715   9.147   1.750
  180    HB2  GLU  22           HB2      GLU  22 -10.088   9.817   1.384
  181    HB3  GLU  22           HB1      GLU  22 -10.152  10.342   3.060
  182    HG2  GLU  22           HG2      GLU  22  -8.610  12.093   2.669
  183    HG3  GLU  22           HG1      GLU  22  -8.190  11.461   1.079
  184    H    GLU  23           HN       GLU  23  -8.897   8.499   4.888
  185    HA   GLU  23           HA       GLU  23  -7.202  10.295   6.321
  186    HB2  GLU  23           HB2      GLU  23  -8.334   7.726   7.394
  187    HB3  GLU  23           HB1      GLU  23  -7.951   9.200   8.273
  188    HG2  GLU  23           HG2      GLU  23  -9.772  10.341   7.077
  189    HG3  GLU  23           HG1      GLU  23 -10.189   8.796   6.296
  190    H    LYS  24           HN       LYS  24  -7.132   6.795   5.612
  191    HA   LYS  24           HA       LYS  24  -4.654   6.265   6.800
  192    HB2  LYS  24           HB2      LYS  24  -6.079   4.469   6.011
  193    HB3  LYS  24           HB1      LYS  24  -5.901   5.010   4.349
  194    HG2  LYS  24           HG2      LYS  24  -3.613   4.369   4.297
  195    HG3  LYS  24           HG1      LYS  24  -3.594   4.075   6.035
  196    HD2  LYS  24           HD2      LYS  24  -5.301   2.538   4.083
  197    HD3  LYS  24           HD1      LYS  24  -3.708   2.010   4.630
  198    HE2  LYS  24           HE2      LYS  24  -6.148   2.466   6.346
  199    HE3  LYS  24           HE1      LYS  24  -5.434   0.911   5.924
  200    HZ1  LYS  24           HZ1      LYS  24  -4.812   1.649   8.156
  201    HZ2  LYS  24           HZ2      LYS  24  -4.084   3.027   7.512
  202    HZ3  LYS  24           HZ3      LYS  24  -3.458   1.500   7.155
  203    H    ILE  25           HN       ILE  25  -5.236   6.827   3.340
  204    HA   ILE  25           HA       ILE  25  -2.544   7.120   2.612
  205    HB   ILE  25           HB       ILE  25  -4.987   8.282   1.260
  206   HG12  ILE  25          HG12      ILE  25  -5.125   5.845   1.552
  207   HG13  ILE  25          HG11      ILE  25  -4.932   6.273  -0.140
  208   HG21  ILE  25          HG21      ILE  25  -2.937   9.337   0.480
  209   HG22  ILE  25          HG22      ILE  25  -3.619   8.299  -0.772
  210   HG23  ILE  25          HG23      ILE  25  -2.226   7.754   0.163
  211   HD11  ILE  25          HD11      ILE  25  -2.526   5.737   0.049
  212   HD12  ILE  25          HD12      ILE  25  -3.586   4.361   0.354
  213   HD13  ILE  25          HD13      ILE  25  -2.819   5.195   1.703
  214    H    GLY  26           HN       GLY  26  -4.970   9.425   3.706
  215    HA2  GLY  26           HA2      GLY  26  -3.461  11.767   3.327
  216    HA3  GLY  26           HA1      GLY  26  -4.776  11.564   4.474
  217    H    LYS  27           HN       LYS  27  -3.318   9.307   5.851
  218    HA   LYS  27           HA       LYS  27  -1.868  11.070   7.613
  219    HB2  LYS  27           HB2      LYS  27  -3.076   8.411   7.819
  220    HB3  LYS  27           HB1      LYS  27  -1.533   8.551   8.647
  221    HG2  LYS  27           HG2      LYS  27  -3.431   9.012  10.126
  222    HG3  LYS  27           HG1      LYS  27  -2.365  10.407   9.957
  223    HD2  LYS  27           HD2      LYS  27  -3.903  11.384   8.325
  224    HD3  LYS  27           HD1      LYS  27  -4.966   9.985   8.485
  225    HE2  LYS  27           HE2      LYS  27  -5.273  10.522  10.867
  226    HE3  LYS  27           HE1      LYS  27  -4.244  11.939  10.668
  227    HZ1  LYS  27           HZ1      LYS  27  -6.528  12.596  10.557
  228    HZ2  LYS  27           HZ2      LYS  27  -6.864  11.455   9.360
  229    HZ3  LYS  27           HZ3      LYS  27  -5.854  12.767   9.016
  230    H    LEU  28           HN       LEU  28  -1.388   8.420   5.411
  231    HA   LEU  28           HA       LEU  28   1.391   8.164   5.760
  232    HB2  LEU  28           HB2      LEU  28  -0.129   7.764   3.207
  233    HB3  LEU  28           HB1      LEU  28   1.384   7.001   3.680
  234    HG   LEU  28           HG       LEU  28  -1.204   6.669   5.163
  235   HD11  LEU  28          HD11      LEU  28   0.097   4.743   3.210
  236   HD12  LEU  28          HD12      LEU  28  -1.308   5.736   2.847
  237   HD13  LEU  28          HD13      LEU  28  -1.411   4.491   4.089
  238   HD21  LEU  28          HD21      LEU  28   0.757   6.273   6.518
  239   HD22  LEU  28          HD22      LEU  28   1.428   5.189   5.300
  240   HD23  LEU  28          HD23      LEU  28  -0.039   4.739   6.172
  241    H    GLU  29           HN       GLU  29  -0.610  10.228   3.766
  242    HA   GLU  29           HA       GLU  29   1.414  11.631   2.406
  243    HB2  GLU  29           HB2      GLU  29  -0.888  11.712   1.661
  244    HB3  GLU  29           HB1      GLU  29  -1.394  12.434   3.181
  245    HG2  GLU  29           HG2      GLU  29  -0.059  14.431   2.650
  246    HG3  GLU  29           HG1      GLU  29   0.366  13.707   1.099
  247    H    ARG  30           HN       ARG  30  -0.094  12.106   5.578
  248    HA   ARG  30           HA       ARG  30   1.103  14.607   6.041
  249    HB2  ARG  30           HB2      ARG  30  -0.015  12.635   7.896
  250    HB3  ARG  30           HB1      ARG  30   0.595  14.170   8.447
  251    HG2  ARG  30           HG2      ARG  30  -1.666  13.743   6.505
  252    HG3  ARG  30           HG1      ARG  30  -1.833  14.195   8.201
  253    HD2  ARG  30           HD2      ARG  30  -0.716  16.291   7.801
  254    HD3  ARG  30           HD1      ARG  30  -0.360  15.827   6.139
  255    HE   ARG  30           HE       ARG  30  -3.078  15.686   6.308
  256   HH11  ARG  30          HH11      ARG  30  -0.689  18.168   6.920
  257   HH12  ARG  30          HH12      ARG  30  -1.744  19.474   6.490
  258   HH21  ARG  30          HH21      ARG  30  -4.474  17.400   5.738
  259   HH22  ARG  30          HH22      ARG  30  -3.903  19.036   5.818
  260    H    TYR  31           HN       TYR  31   2.355  11.451   6.205
  261    HA   TYR  31           HA       TYR  31   4.709  12.362   7.673
  262    HB2  TYR  31           HB2      TYR  31   4.073   9.668   6.441
  263    HB3  TYR  31           HB1      TYR  31   5.516  10.032   7.379
  264    HD1  TYR  31           HD1      TYR  31   2.618   8.329   7.591
  265    HD2  TYR  31           HD2      TYR  31   4.688  11.374   9.720
  266    HE1  TYR  31           HE1      TYR  31   1.412   7.706   9.639
  267    HE2  TYR  31           HE2      TYR  31   3.491  10.756  11.777
  268    HH   TYR  31           HH       TYR  31   1.752   7.887  12.098
  269    H    PHE  32           HN       PHE  32   3.623  12.906   4.720
  270    HA   PHE  32           HA       PHE  32   6.206  12.444   3.376
  271    HB2  PHE  32           HB2      PHE  32   3.410  11.903   2.532
  272    HB3  PHE  32           HB1      PHE  32   4.555  12.467   1.325
  273    HD1  PHE  32           HD1      PHE  32   3.985  10.260   0.220
  274    HD2  PHE  32           HD2      PHE  32   6.016  10.490   3.953
  275    HE1  PHE  32           HE1      PHE  32   4.772   7.946  -0.068
  276    HE2  PHE  32           HE2      PHE  32   6.807   8.181   3.669
  277    HZ   PHE  32           HZ       PHE  32   6.185   6.905   1.656
  278    H    ASN  33           HN       ASN  33   7.113  14.308   2.687
  279    HA   ASN  33           HA       ASN  33   5.212  16.236   1.598
  280    HB2  ASN  33           HB2      ASN  33   6.327  17.156   3.615
  281    HB3  ASN  33           HB1      ASN  33   7.886  16.943   2.828
  282   HD21  ASN  33          HD21      ASN  33   8.510  18.354   1.216
  283   HD22  ASN  33          HD22      ASN  33   7.656  19.817   0.877
  284    H    ASP  34           HN       ASP  34   8.486  14.963   1.320
  285    HA   ASP  34           HA       ASP  34   8.870  16.119  -1.207
  286    HB2  ASP  34           HB2      ASP  34  11.091  15.167  -1.162
  287    HB3  ASP  34           HB1      ASP  34  10.732  15.885   0.403
  288    H    VAL  35           HN       VAL  35   6.718  14.199  -0.955
  289    HA   VAL  35           HA       VAL  35   7.625  11.853  -2.389
  290    HB   VAL  35           HB       VAL  35   5.950  11.474  -0.689
  291   HG11  VAL  35          HG11      VAL  35   4.177  13.324  -2.274
  292   HG12  VAL  35          HG12      VAL  35   4.805  13.594  -0.648
  293   HG13  VAL  35          HG13      VAL  35   3.639  12.302  -0.942
  294   HG21  VAL  35          HG21      VAL  35   5.920   9.981  -2.585
  295   HG22  VAL  35          HG22      VAL  35   4.857  11.075  -3.469
  296   HG23  VAL  35          HG23      VAL  35   4.271  10.257  -2.021
  297    HA   PRO  36           HA       PRO  36   6.920  13.952  -6.308
  298    HB2  PRO  36           HB2      PRO  36   7.881  11.360  -7.334
  299    HB3  PRO  36           HB1      PRO  36   8.512  12.984  -7.624
  300    HG2  PRO  36           HG2      PRO  36   9.822  11.227  -6.082
  301    HG3  PRO  36           HG1      PRO  36   9.815  12.962  -5.716
  302    HD2  PRO  36           HD2      PRO  36   8.225  10.753  -4.467
  303    HD3  PRO  36           HD1      PRO  36   9.025  12.140  -3.701
  304    H    ASN  37           HN       ASN  37   6.202  10.493  -5.763
  305    HA   ASN  37           HA       ASN  37   3.450  10.908  -6.442
  306    HB2  ASN  37           HB2      ASN  37   4.374  10.751  -8.701
  307    HB3  ASN  37           HB1      ASN  37   5.155   9.227  -8.293
  308   HD21  ASN  37          HD21      ASN  37   3.961   7.362  -8.239
  309   HD22  ASN  37          HD22      ASN  37   2.321   7.274  -8.773
  310    H    ALA  38           HN       ALA  38   2.245   9.578  -5.293
  311    HA   ALA  38           HA       ALA  38   3.075   6.794  -4.938
  312    HB1  ALA  38           HB1      ALA  38   3.856   7.847  -2.895
  313    HB2  ALA  38           HB2      ALA  38   2.440   6.857  -2.538
  314    HB3  ALA  38           HB3      ALA  38   2.287   8.611  -2.650
  315    H    VAL  39           HN       VAL  39   1.299   5.470  -5.279
  316    HA   VAL  39           HA       VAL  39  -1.323   6.762  -5.410
  317    HB   VAL  39           HB       VAL  39   0.242   5.104  -7.320
  318   HG11  VAL  39          HG11      VAL  39  -1.711   3.742  -6.652
  319   HG12  VAL  39          HG12      VAL  39  -1.620   4.136  -8.378
  320   HG13  VAL  39          HG13      VAL  39  -2.749   5.002  -7.333
  321   HG21  VAL  39          HG21      VAL  39  -0.107   7.500  -7.667
  322   HG22  VAL  39          HG22      VAL  39  -1.849   7.219  -7.745
  323   HG23  VAL  39          HG23      VAL  39  -0.782   6.521  -8.967
  324    H    ALA  40           HN       ALA  40  -3.110   5.370  -4.871
  325    HA   ALA  40           HA       ALA  40  -2.434   2.600  -4.089
  326    HB1  ALA  40           HB1      ALA  40  -2.857   3.682  -1.997
  327    HB2  ALA  40           HB2      ALA  40  -4.316   2.761  -2.399
  328    HB3  ALA  40           HB3      ALA  40  -4.276   4.508  -2.640
  329    H    HIS  41           HN       HIS  41  -3.091   1.910  -6.125
  330    HA   HIS  41           HA       HIS  41  -5.808   2.451  -7.021
  331    HB2  HIS  41           HB2      HIS  41  -3.658   2.185  -8.485
  332    HB3  HIS  41           HB1      HIS  41  -3.916   0.460  -8.259
  333    HD1  HIS  41           HD1      HIS  41  -5.303   3.463  -9.989
  334    HD2  HIS  41           HD2      HIS  41  -6.097  -0.612  -9.650
  335    HE1  HIS  41           HE1      HIS  41  -6.973   2.938 -11.798
  336    HE2  HIS  41           HE2      HIS  41  -7.259   0.434 -11.707
  337    H    VAL  42           HN       VAL  42  -7.333   1.376  -5.771
  338    HA   VAL  42           HA       VAL  42  -6.615  -1.356  -4.846
  339    HB   VAL  42           HB       VAL  42  -7.448   1.129  -3.468
  340   HG11  VAL  42          HG11      VAL  42  -8.446  -0.134  -1.633
  341   HG12  VAL  42          HG12      VAL  42  -8.301  -1.613  -2.586
  342   HG13  VAL  42          HG13      VAL  42  -9.358  -0.309  -3.133
  343   HG21  VAL  42          HG21      VAL  42  -5.799  -1.293  -2.863
  344   HG22  VAL  42          HG22      VAL  42  -6.035   0.026  -1.708
  345   HG23  VAL  42          HG23      VAL  42  -5.199   0.329  -3.241
  346    H    LYS  43           HN       LYS  43  -8.032  -2.767  -4.983
  347    HA   LYS  43           HA       LYS  43 -10.696  -2.049  -6.026
  348    HB2  LYS  43           HB2      LYS  43  -8.807  -4.283  -6.771
  349    HB3  LYS  43           HB1      LYS  43 -10.502  -4.293  -7.209
  350    HG2  LYS  43           HG2      LYS  43 -10.261  -2.409  -8.602
  351    HG3  LYS  43           HG1      LYS  43  -8.675  -2.030  -7.935
  352    HD2  LYS  43           HD2      LYS  43  -9.294  -4.519  -9.518
  353    HD3  LYS  43           HD1      LYS  43  -8.628  -3.043 -10.219
  354    HE2  LYS  43           HE2      LYS  43  -6.727  -3.236  -8.611
  355    HE3  LYS  43           HE1      LYS  43  -7.366  -4.803  -8.124
  356    HZ1  LYS  43           HZ1      LYS  43  -7.147  -5.517 -10.462
  357    HZ2  LYS  43           HZ2      LYS  43  -5.666  -5.126  -9.750
  358    HZ3  LYS  43           HZ3      LYS  43  -6.396  -4.044 -10.824
  359    H    VAL  44           HN       VAL  44 -12.376  -3.377  -5.404
  360    HA   VAL  44           HA       VAL  44 -11.898  -5.259  -3.227
  361    HB   VAL  44           HB       VAL  44 -12.238  -2.838  -2.352
  362   HG11  VAL  44          HG11      VAL  44 -13.999  -2.228  -3.868
  363   HG12  VAL  44          HG12      VAL  44 -14.581  -2.142  -2.199
  364   HG13  VAL  44          HG13      VAL  44 -15.023  -3.516  -3.223
  365   HG21  VAL  44          HG21      VAL  44 -13.639  -3.605  -0.489
  366   HG22  VAL  44          HG22      VAL  44 -12.389  -4.779  -0.901
  367   HG23  VAL  44          HG23      VAL  44 -14.055  -5.051  -1.410
  368    H    LYS  45           HN       LYS  45 -13.893  -6.467  -2.791
  369    HA   LYS  45           HA       LYS  45 -16.017  -6.437  -4.744
  370    HB2  LYS  45           HB2      LYS  45 -13.928  -8.627  -4.729
  371    HB3  LYS  45           HB1      LYS  45 -15.504  -8.803  -5.484
  372    HG2  LYS  45           HG2      LYS  45 -15.002  -7.289  -7.168
  373    HG3  LYS  45           HG1      LYS  45 -13.677  -6.564  -6.254
  374    HD2  LYS  45           HD2      LYS  45 -12.404  -8.664  -6.496
  375    HD3  LYS  45           HD1      LYS  45 -13.717  -9.322  -7.475
  376    HE2  LYS  45           HE2      LYS  45 -13.388  -7.618  -9.145
  377    HE3  LYS  45           HE1      LYS  45 -12.183  -6.814  -8.141
  378    HZ1  LYS  45           HZ1      LYS  45 -11.260  -8.214  -9.953
  379    HZ2  LYS  45           HZ2      LYS  45 -11.874  -9.579  -9.166
  380    HZ3  LYS  45           HZ3      LYS  45 -10.695  -8.625  -8.409
  381    H    THR  46           HN       THR  46 -17.708  -6.786  -3.397
  382    HA   THR  46           HA       THR  46 -17.862  -9.291  -2.024
  383    HB   THR  46           HB       THR  46 -16.686  -8.074  -0.296
  384    HG1  THR  46           HG1      THR  46 -18.319  -8.252   1.370
  385   HG21  THR  46          HG21      THR  46 -18.896  -6.056  -0.590
  386   HG22  THR  46          HG22      THR  46 -17.161  -5.798  -0.783
  387   HG23  THR  46          HG23      THR  46 -17.835  -6.129   0.814
  388    H    TYR  47           HN       TYR  47 -19.908  -9.979  -1.886
  389    HA   TYR  47           HA       TYR  47 -22.037  -7.956  -1.775
  390    HB2  TYR  47           HB2      TYR  47 -21.849  -9.226  -4.016
  391    HB3  TYR  47           HB1      TYR  47 -22.389 -10.639  -3.120
  392    HD1  TYR  47           HD1      TYR  47 -23.372  -7.098  -3.756
  393    HD2  TYR  47           HD2      TYR  47 -24.666 -11.085  -3.032
  394    HE1  TYR  47           HE1      TYR  47 -25.701  -6.402  -4.119
  395    HE2  TYR  47           HE2      TYR  47 -27.000 -10.399  -3.391
  396    HH   TYR  47           HH       TYR  47 -27.827  -7.341  -4.721
  397    H    SER  48           HN       SER  48 -21.325  -8.381   0.468
  398    HA   SER  48           HA       SER  48 -23.075  -9.953   1.981
  399    HB2  SER  48           HB2      SER  48 -20.324 -11.148   1.531
  400    HB3  SER  48           HB1      SER  48 -21.294 -11.528   2.950
  401    HG   SER  48           HG       SER  48 -22.442 -11.800   0.404
  402    H    ASN  49           HN       ASN  49 -22.538  -9.784   4.307
  403    HA   ASN  49           HA       ASN  49 -20.955  -7.384   4.826
  404    HB2  ASN  49           HB2      ASN  49 -23.009  -8.890   6.431
  405    HB3  ASN  49           HB1      ASN  49 -21.987  -7.664   7.171
  406   HD21  ASN  49          HD21      ASN  49 -21.910  -5.955   4.848
  407   HD22  ASN  49          HD22      ASN  49 -23.473  -5.234   4.710
  408    H    SER  50           HN       SER  50 -20.344 -10.573   4.685
  409    HA   SER  50           HA       SER  50 -18.488 -10.498   6.936
  410    HB2  SER  50           HB2      SER  50 -20.237 -12.295   7.009
  411    HB3  SER  50           HB1      SER  50 -19.512 -12.979   5.555
  412    HG   SER  50           HG       SER  50 -17.700 -12.472   7.557
  413    H    ALA  51           HN       ALA  51 -18.347  -9.670   4.031
  414    HA   ALA  51           HA       ALA  51 -15.704 -10.840   3.539
  415    HB1  ALA  51           HB1      ALA  51 -16.641 -12.103   1.914
  416    HB2  ALA  51           HB2      ALA  51 -16.506 -10.579   1.005
  417    HB3  ALA  51           HB3      ALA  51 -18.043 -11.039   1.755
  418    H    THR  52           HN       THR  52 -14.248  -9.448   2.639
  419    HA   THR  52           HA       THR  52 -15.258  -7.695   0.790
  420    HB   THR  52           HB       THR  52 -13.188  -6.235   2.166
  421    HG1  THR  52           HG1      THR  52 -15.151  -7.390   3.566
  422   HG21  THR  52          HG21      THR  52 -16.034  -5.591   1.401
  423   HG22  THR  52          HG22      THR  52 -14.584  -5.188   0.487
  424   HG23  THR  52          HG23      THR  52 -14.889  -4.418   2.042
  425    H    LYS  53           HN       LYS  53 -14.235  -8.761  -0.878
  426    HA   LYS  53           HA       LYS  53 -11.495  -9.648  -0.571
  427    HB2  LYS  53           HB2      LYS  53 -13.171  -9.552  -3.090
  428    HB3  LYS  53           HB1      LYS  53 -11.750 -10.541  -2.795
  429    HG2  LYS  53           HG2      LYS  53 -12.925 -11.899  -1.228
  430    HG3  LYS  53           HG1      LYS  53 -14.314 -10.813  -1.249
  431    HD2  LYS  53           HD2      LYS  53 -14.628 -11.344  -3.651
  432    HD3  LYS  53           HD1      LYS  53 -13.315 -12.514  -3.526
  433    HE2  LYS  53           HE2      LYS  53 -14.571 -13.763  -1.851
  434    HE3  LYS  53           HE1      LYS  53 -15.875 -12.580  -1.935
  435    HZ1  LYS  53           HZ1      LYS  53 -16.118 -13.170  -4.309
  436    HZ2  LYS  53           HZ2      LYS  53 -16.457 -14.453  -3.260
  437    HZ3  LYS  53           HZ3      LYS  53 -14.986 -14.411  -4.093
  438    H    ILE  54           HN       ILE  54  -9.709  -8.620  -1.384
  439    HA   ILE  54           HA       ILE  54 -10.172  -6.020  -2.654
  440    HB   ILE  54           HB       ILE  54  -8.051  -5.320  -1.393
  441   HG12  ILE  54          HG12      ILE  54  -7.775  -7.756  -0.504
  442   HG13  ILE  54          HG11      ILE  54  -7.432  -6.400   0.559
  443   HG21  ILE  54          HG21      ILE  54 -10.709  -5.687  -0.108
  444   HG22  ILE  54          HG22      ILE  54 -10.175  -4.361  -1.159
  445   HG23  ILE  54          HG23      ILE  54  -9.462  -4.564   0.449
  446   HD11  ILE  54          HD11      ILE  54 -10.004  -7.965   0.528
  447   HD12  ILE  54          HD12      ILE  54  -9.563  -6.682   1.657
  448   HD13  ILE  54          HD13      ILE  54  -8.675  -8.207   1.663
  449    H    GLU  55           HN       GLU  55  -8.386  -5.071  -3.711
  450    HA   GLU  55           HA       GLU  55  -6.108  -6.734  -4.304
  451    HB2  GLU  55           HB2      GLU  55  -8.213  -5.962  -6.278
  452    HB3  GLU  55           HB1      GLU  55  -6.533  -6.002  -6.742
  453    HG2  GLU  55           HG2      GLU  55  -6.373  -8.328  -6.332
  454    HG3  GLU  55           HG1      GLU  55  -7.922  -8.339  -5.494
  455    H    VAL  56           HN       VAL  56  -4.669  -5.308  -3.715
  456    HA   VAL  56           HA       VAL  56  -5.158  -2.447  -4.184
  457    HB   VAL  56           HB       VAL  56  -4.519  -2.252  -1.978
  458   HG11  VAL  56          HG11      VAL  56  -3.667  -4.074  -0.714
  459   HG12  VAL  56          HG12      VAL  56  -3.411  -4.983  -2.199
  460   HG13  VAL  56          HG13      VAL  56  -5.043  -4.552  -1.702
  461   HG21  VAL  56          HG21      VAL  56  -2.133  -2.204  -1.495
  462   HG22  VAL  56          HG22      VAL  56  -2.364  -1.596  -3.126
  463   HG23  VAL  56          HG23      VAL  56  -1.784  -3.236  -2.876
  464    H    THR  57           HN       THR  57  -3.663  -1.271  -5.153
  465    HA   THR  57           HA       THR  57  -1.029  -2.416  -5.581
  466    HB   THR  57           HB       THR  57  -2.491  -1.185  -7.961
  467    HG1  THR  57           HG1      THR  57  -2.728  -3.669  -6.943
  468   HG21  THR  57          HG21      THR  57  -0.056  -1.015  -8.036
  469   HG22  THR  57          HG22      THR  57  -0.635  -2.153  -9.253
  470   HG23  THR  57          HG23      THR  57   0.085  -2.750  -7.758
  471    H    ILE  58           HN       ILE  58   0.166  -0.972  -4.726
  472    HA   ILE  58           HA       ILE  58  -0.655   1.874  -4.719
  473    HB   ILE  58           HB       ILE  58   0.488  -0.002  -2.650
  474   HG12  ILE  58          HG12      ILE  58  -1.818   1.938  -2.500
  475   HG13  ILE  58          HG11      ILE  58  -1.972   0.235  -2.902
  476   HG21  ILE  58          HG21      ILE  58   0.453   3.019  -2.470
  477   HG22  ILE  58          HG22      ILE  58   1.883   1.986  -2.500
  478   HG23  ILE  58          HG23      ILE  58   0.783   1.932  -1.122
  479   HD11  ILE  58          HD11      ILE  58  -1.061  -0.334  -0.692
  480   HD12  ILE  58          HD12      ILE  58  -2.544   0.616  -0.594
  481   HD13  ILE  58          HD13      ILE  58  -0.983   1.386  -0.304
  482    HA   PRO  59           HA       PRO  59   3.584   1.824  -6.697
  483    HB2  PRO  59           HB2      PRO  59   2.320   4.086  -8.141
  484    HB3  PRO  59           HB1      PRO  59   3.201   2.689  -8.784
  485    HG2  PRO  59           HG2      PRO  59   0.566   2.877  -9.066
  486    HG3  PRO  59           HG1      PRO  59   1.325   1.315  -8.697
  487    HD2  PRO  59           HD2      PRO  59  -0.020   3.241  -6.829
  488    HD3  PRO  59           HD1      PRO  59  -0.249   1.487  -6.969
  489    H    LEU  60           HN       LEU  60   4.702   2.676  -4.947
  490    HA   LEU  60           HA       LEU  60   4.592   5.578  -4.593
  491    HB2  LEU  60           HB2      LEU  60   5.862   3.320  -3.128
  492    HB3  LEU  60           HB1      LEU  60   6.688   4.860  -3.096
  493    HG   LEU  60           HG       LEU  60   4.608   5.896  -2.179
  494   HD11  LEU  60          HD11      LEU  60   3.004   4.259  -2.998
  495   HD12  LEU  60          HD12      LEU  60   2.895   4.440  -1.246
  496   HD13  LEU  60          HD13      LEU  60   3.705   3.035  -1.939
  497   HD21  LEU  60          HD21      LEU  60   6.448   5.258  -0.719
  498   HD22  LEU  60          HD22      LEU  60   5.788   3.627  -0.582
  499   HD23  LEU  60          HD23      LEU  60   4.895   4.998   0.077
  500    H    LYS  61           HN       LYS  61   7.155   6.368  -4.388
  501    HA   LYS  61           HA       LYS  61   8.078   6.541  -7.015
  502    HB2  LYS  61           HB2      LYS  61   9.878   6.610  -4.658
  503    HB3  LYS  61           HB1      LYS  61   9.970   7.595  -6.113
  504    HG2  LYS  61           HG2      LYS  61   9.196   9.204  -4.750
  505    HG3  LYS  61           HG1      LYS  61   7.632   8.473  -5.108
  506    HD2  LYS  61           HD2      LYS  61   7.825   8.815  -2.727
  507    HD3  LYS  61           HD1      LYS  61   7.862   7.087  -3.063
  508    HE2  LYS  61           HE2      LYS  61   9.520   7.642  -1.391
  509    HE3  LYS  61           HE1      LYS  61  10.318   7.122  -2.871
  510    HZ1  LYS  61           HZ1      LYS  61  10.734   9.438  -3.420
  511    HZ2  LYS  61           HZ2      LYS  61  11.391   9.058  -1.910
  512    HZ3  LYS  61           HZ3      LYS  61   9.954   9.938  -2.003
  513    H    ASN  62           HN       ASN  62   9.303   4.820  -4.205
  514    HA   ASN  62           HA       ASN  62  11.422   3.768  -5.717
  515    HB2  ASN  62           HB2      ASN  62  11.502   4.587  -3.323
  516    HB3  ASN  62           HB1      ASN  62  10.830   3.024  -2.962
  517   HD21  ASN  62          HD21      ASN  62  13.070   3.384  -5.576
  518   HD22  ASN  62          HD22      ASN  62  14.390   2.578  -4.807
  519    H    VAL  63           HN       VAL  63   8.581   2.501  -4.105
  520    HA   VAL  63           HA       VAL  63   8.867  -0.005  -5.590
  521    HB   VAL  63           HB       VAL  63   9.723  -0.305  -3.299
  522   HG11  VAL  63          HG11      VAL  63   8.173  -0.285  -1.394
  523   HG12  VAL  63          HG12      VAL  63   6.921   0.374  -2.446
  524   HG13  VAL  63          HG13      VAL  63   8.379   1.311  -2.118
  525   HG21  VAL  63          HG21      VAL  63   7.181  -1.807  -3.896
  526   HG22  VAL  63          HG22      VAL  63   8.396  -2.301  -2.718
  527   HG23  VAL  63          HG23      VAL  63   8.807  -2.231  -4.431
  528    H    THR  64           HN       THR  64   6.951  -1.134  -5.965
  529    HA   THR  64           HA       THR  64   4.441   0.386  -5.585
  530    HB   THR  64           HB       THR  64   5.234  -1.414  -7.891
  531    HG1  THR  64           HG1      THR  64   5.703   1.160  -7.455
  532   HG21  THR  64          HG21      THR  64   2.694   0.158  -7.441
  533   HG22  THR  64          HG22      THR  64   2.850  -1.598  -7.409
  534   HG23  THR  64          HG23      THR  64   3.112  -0.717  -8.914
  535    H    LEU  65           HN       LEU  65   3.141  -0.690  -4.140
  536    HA   LEU  65           HA       LEU  65   3.566  -3.560  -3.820
  537    HB2  LEU  65           HB2      LEU  65   2.005  -1.597  -2.144
  538    HB3  LEU  65           HB1      LEU  65   1.889  -3.326  -1.934
  539    HG   LEU  65           HG       LEU  65   4.466  -3.299  -1.717
  540   HD11  LEU  65          HD11      LEU  65   4.861  -0.975  -2.334
  541   HD12  LEU  65          HD12      LEU  65   5.416  -1.293  -0.683
  542   HD13  LEU  65          HD13      LEU  65   3.892  -0.436  -0.963
  543   HD21  LEU  65          HD21      LEU  65   4.277  -2.978   0.688
  544   HD22  LEU  65          HD22      LEU  65   2.947  -3.933   0.041
  545   HD23  LEU  65          HD23      LEU  65   2.690  -2.240   0.462
  546    H    ARG  66           HN       ARG  66   1.988  -5.071  -3.963
  547    HA   ARG  66           HA       ARG  66  -0.700  -4.194  -4.656
  548    HB2  ARG  66           HB2      ARG  66   0.335  -4.838  -6.639
  549    HB3  ARG  66           HB1      ARG  66   0.975  -6.313  -5.989
  550    HG2  ARG  66           HG2      ARG  66  -0.936  -7.437  -6.334
  551    HG3  ARG  66           HG1      ARG  66  -1.941  -6.079  -5.834
  552    HD2  ARG  66           HD2      ARG  66  -2.278  -6.690  -8.193
  553    HD3  ARG  66           HD1      ARG  66  -1.691  -5.043  -7.994
  554    HE   ARG  66           HE       ARG  66   0.360  -7.022  -8.497
  555   HH11  ARG  66          HH11      ARG  66  -1.858  -4.688  -9.865
  556   HH12  ARG  66          HH12      ARG  66  -0.985  -4.531 -11.355
  557   HH21  ARG  66          HH21      ARG  66   1.520  -6.816 -10.460
  558   HH22  ARG  66          HH22      ARG  66   0.930  -5.753 -11.699
  559    H    ALA  67           HN       ALA  67  -2.260  -5.395  -3.755
  560    HA   ALA  67           HA       ALA  67  -1.560  -8.009  -2.577
  561    HB1  ALA  67           HB1      ALA  67  -3.329  -6.342  -0.849
  562    HB2  ALA  67           HB2      ALA  67  -1.598  -6.066  -0.795
  563    HB3  ALA  67           HB3      ALA  67  -2.242  -7.662  -0.422
  564    H    GLU  68           HN       GLU  68  -2.824  -9.423  -3.449
  565    HA   GLU  68           HA       GLU  68  -5.594  -8.661  -4.104
  566    HB2  GLU  68           HB2      GLU  68  -5.403 -10.619  -5.758
  567    HB3  GLU  68           HB1      GLU  68  -4.531  -9.144  -6.148
  568    HG2  GLU  68           HG2      GLU  68  -2.463 -10.133  -5.331
  569    HG3  GLU  68           HG1      GLU  68  -3.328 -11.609  -4.907
  570    H    GLU  69           HN       GLU  69  -6.632  -9.277  -2.243
  571    HA   GLU  69           HA       GLU  69  -6.342 -12.075  -1.398
  572    HB2  GLU  69           HB2      GLU  69  -5.908  -9.647   0.329
  573    HB3  GLU  69           HB1      GLU  69  -6.302 -11.220   1.004
  574    HG2  GLU  69           HG2      GLU  69  -3.933 -10.721  -0.774
  575    HG3  GLU  69           HG1      GLU  69  -3.877 -10.635   0.985
  576    H    ARG  70           HN       ARG  70  -8.081 -12.915  -0.247
  577    HA   ARG  70           HA       ARG  70 -10.481 -11.230  -0.093
  578    HB2  ARG  70           HB2      ARG  70 -11.757 -13.316  -0.214
  579    HB3  ARG  70           HB1      ARG  70 -10.655 -13.180  -1.579
  580    HG2  ARG  70           HG2      ARG  70  -9.106 -14.712  -0.527
  581    HG3  ARG  70           HG1      ARG  70 -10.149 -14.820   0.889
  582    HD2  ARG  70           HD2      ARG  70 -11.012 -15.590  -1.889
  583    HD3  ARG  70           HD1      ARG  70 -10.337 -16.727  -0.725
  584    HE   ARG  70           HE       ARG  70 -12.670 -15.192   0.117
  585   HH11  ARG  70          HH11      ARG  70 -11.360 -18.214  -1.066
  586   HH12  ARG  70          HH12      ARG  70 -12.737 -19.151  -0.584
  587   HH21  ARG  70          HH21      ARG  70 -14.491 -16.420   0.754
  588   HH22  ARG  70          HH22      ARG  70 -14.528 -18.126   0.441
  589    H    ASN  71           HN       ASN  71 -11.507 -11.012   1.869
  590    HA   ASN  71           HA       ASN  71 -11.101 -12.803   4.049
  591    HB2  ASN  71           HB2      ASN  71  -8.983 -11.270   3.994
  592    HB3  ASN  71           HB1      ASN  71 -10.044 -10.035   4.612
  593   HD21  ASN  71          HD21      ASN  71  -7.909 -10.720   5.822
  594   HD22  ASN  71          HD22      ASN  71  -8.318 -11.514   7.258
  595    H    ASP  72           HN       ASP  72 -12.147 -11.704   6.116
  596    HA   ASP  72           HA       ASP  72 -14.765 -10.867   5.404
  597    HB2  ASP  72           HB2      ASP  72 -14.120 -12.074   7.528
  598    HB3  ASP  72           HB1      ASP  72 -13.424 -10.565   8.102
  599    H    ASP  73           HN       ASP  73 -11.876  -9.203   6.495
  600    HA   ASP  73           HA       ASP  73 -13.217  -6.587   6.194
  601    HB2  ASP  73           HB2      ASP  73 -10.963  -7.539   7.940
  602    HB3  ASP  73           HB1      ASP  73 -11.111  -5.843   7.517
  603    H    LEU  74           HN       LEU  74 -12.994  -5.878   4.398
  604    HA   LEU  74           HA       LEU  74 -11.117  -5.473   2.609
  605    HB2  LEU  74           HB2      LEU  74 -13.114  -4.197   2.626
  606    HB3  LEU  74           HB1      LEU  74 -12.786  -3.685   4.281
  607    HG   LEU  74           HG       LEU  74 -11.223  -2.049   3.571
  608   HD11  LEU  74          HD11      LEU  74 -11.450  -3.297   0.856
  609   HD12  LEU  74          HD12      LEU  74 -10.026  -3.186   1.895
  610   HD13  LEU  74          HD13      LEU  74 -10.699  -1.729   1.161
  611   HD21  LEU  74          HD21      LEU  74 -12.579  -0.625   2.126
  612   HD22  LEU  74          HD22      LEU  74 -13.562  -1.411   3.361
  613   HD23  LEU  74          HD23      LEU  74 -13.586  -2.007   1.702
  614    H    TYR  75           HN       TYR  75 -11.243  -4.101   5.794
  615    HA   TYR  75           HA       TYR  75  -9.150  -2.295   5.337
  616    HB2  TYR  75           HB2      TYR  75 -11.077  -2.119   7.065
  617    HB3  TYR  75           HB1      TYR  75 -10.007  -3.041   8.120
  618    HD1  TYR  75           HD1      TYR  75  -9.645  -0.358   5.703
  619    HD2  TYR  75           HD2      TYR  75  -8.995  -1.883   9.562
  620    HE1  TYR  75           HE1      TYR  75  -8.463   1.616   6.261
  621    HE2  TYR  75           HE2      TYR  75  -7.819   0.079  10.159
  622    HH   TYR  75           HH       TYR  75  -7.845   2.948   8.340
  623    H    ALA  76           HN       ALA  76  -9.400  -5.544   6.157
  624    HA   ALA  76           HA       ALA  76  -6.895  -5.824   7.578
  625    HB1  ALA  76           HB1      ALA  76  -7.469  -8.161   7.670
  626    HB2  ALA  76           HB2      ALA  76  -8.738  -7.924   6.466
  627    HB3  ALA  76           HB3      ALA  76  -8.906  -7.216   8.076
  628    H    GLY  77           HN       GLY  77  -8.329  -6.297   4.414
  629    HA2  GLY  77           HA2      GLY  77  -6.068  -7.617   3.268
  630    HA3  GLY  77           HA1      GLY  77  -7.392  -6.824   2.420
  631    H    ILE  78           HN       ILE  78  -7.292  -4.290   3.135
  632    HA   ILE  78           HA       ILE  78  -5.063  -3.272   1.838
  633    HB   ILE  78           HB       ILE  78  -7.093  -1.851   3.586
  634   HG12  ILE  78          HG12      ILE  78  -8.105  -2.966   1.681
  635   HG13  ILE  78          HG11      ILE  78  -8.120  -1.225   1.427
  636   HG21  ILE  78          HG21      ILE  78  -5.119  -0.696   1.619
  637   HG22  ILE  78          HG22      ILE  78  -5.085  -0.496   3.371
  638   HG23  ILE  78          HG23      ILE  78  -6.402   0.202   2.429
  639   HD11  ILE  78          HD11      ILE  78  -6.236  -3.210   0.178
  640   HD12  ILE  78          HD12      ILE  78  -6.147  -1.461  -0.029
  641   HD13  ILE  78          HD13      ILE  78  -7.553  -2.349  -0.618
  642    H    ASP  79           HN       ASP  79  -5.781  -3.808   5.301
  643    HA   ASP  79           HA       ASP  79  -3.383  -2.535   6.329
  644    HB2  ASP  79           HB2      ASP  79  -5.289  -3.115   7.806
  645    HB3  ASP  79           HB1      ASP  79  -4.998  -4.823   7.495
  646    H    LEU  80           HN       LEU  80  -4.115  -5.817   5.218
  647    HA   LEU  80           HA       LEU  80  -1.607  -6.874   5.736
  648    HB2  LEU  80           HB2      LEU  80  -3.596  -8.063   4.676
  649    HB3  LEU  80           HB1      LEU  80  -3.125  -7.318   3.166
  650    HG   LEU  80           HG       LEU  80  -0.915  -8.457   3.343
  651   HD11  LEU  80          HD11      LEU  80  -2.237  -9.867   5.654
  652   HD12  LEU  80          HD12      LEU  80  -0.830  -8.805   5.733
  653   HD13  LEU  80          HD13      LEU  80  -0.721 -10.352   4.895
  654   HD21  LEU  80          HD21      LEU  80  -1.767 -10.678   2.729
  655   HD22  LEU  80          HD22      LEU  80  -2.662  -9.374   1.949
  656   HD23  LEU  80          HD23      LEU  80  -3.361 -10.217   3.331
  657    H    ILE  81           HN       ILE  81  -2.749  -5.228   2.788
  658    HA   ILE  81           HA       ILE  81  -0.133  -4.935   1.792
  659    HB   ILE  81           HB       ILE  81  -2.472  -4.656   0.614
  660   HG12  ILE  81          HG12      ILE  81  -1.230  -4.040  -1.275
  661   HG13  ILE  81          HG11      ILE  81  -0.240  -2.899  -0.378
  662   HG21  ILE  81          HG21      ILE  81  -1.654  -1.787   1.022
  663   HG22  ILE  81          HG22      ILE  81  -2.985  -2.569   1.873
  664   HG23  ILE  81          HG23      ILE  81  -3.048  -2.389   0.121
  665   HD11  ILE  81          HD11      ILE  81   1.144  -4.593   0.448
  666   HD12  ILE  81          HD12      ILE  81   0.872  -5.020  -1.241
  667   HD13  ILE  81          HD13      ILE  81  -0.003  -5.862   0.035
  668    H    ASN  82           HN       ASN  82  -1.905  -2.793   3.967
  669    HA   ASN  82           HA       ASN  82  -0.187  -0.533   3.439
  670    HB2  ASN  82           HB2      ASN  82  -2.601  -0.343   4.156
  671    HB3  ASN  82           HB1      ASN  82  -2.110  -0.919   5.739
  672   HD21  ASN  82          HD21      ASN  82  -1.152   0.444   7.153
  673   HD22  ASN  82          HD22      ASN  82  -0.905   2.130   6.845
  674    H    ASN  83           HN       ASN  83  -0.465  -3.056   5.782
  675    HA   ASN  83           HA       ASN  83   1.474  -1.911   7.575
  676    HB2  ASN  83           HB2      ASN  83   0.421  -3.303   8.986
  677    HB3  ASN  83           HB1      ASN  83  -0.621  -3.790   7.616
  678   HD21  ASN  83          HD21      ASN  83  -0.264  -5.759   6.668
  679   HD22  ASN  83          HD22      ASN  83   0.802  -6.960   7.311
  680    H    LYS  84           HN       LYS  84   1.270  -4.529   5.197
  681    HA   LYS  84           HA       LYS  84   4.070  -5.091   5.221
  682    HB2  LYS  84           HB2      LYS  84   1.917  -5.600   3.182
  683    HB3  LYS  84           HB1      LYS  84   3.604  -5.963   2.845
  684    HG2  LYS  84           HG2      LYS  84   3.645  -7.459   4.802
  685    HG3  LYS  84           HG1      LYS  84   1.928  -7.134   5.057
  686    HD2  LYS  84           HD2      LYS  84   1.406  -8.073   2.874
  687    HD3  LYS  84           HD1      LYS  84   3.122  -8.342   2.561
  688    HE2  LYS  84           HE2      LYS  84   3.217  -9.873   4.478
  689    HE3  LYS  84           HE1      LYS  84   1.494  -9.619   4.756
  690    HZ1  LYS  84           HZ1      LYS  84   1.053 -10.553   2.561
  691    HZ2  LYS  84           HZ2      LYS  84   1.880 -11.658   3.538
  692    HZ3  LYS  84           HZ3      LYS  84   2.706 -10.820   2.323
  693    H    LEU  85           HN       LEU  85   2.122  -2.598   3.806
  694    HA   LEU  85           HA       LEU  85   3.948  -1.582   1.941
  695    HB2  LEU  85           HB2      LEU  85   1.599  -0.805   2.155
  696    HB3  LEU  85           HB1      LEU  85   2.003  -0.048   3.679
  697    HG   LEU  85           HG       LEU  85   3.435   0.785   1.176
  698   HD11  LEU  85          HD11      LEU  85   1.720   2.476   0.797
  699   HD12  LEU  85          HD12      LEU  85   0.753   1.803   2.110
  700   HD13  LEU  85          HD13      LEU  85   1.044   0.853   0.654
  701   HD21  LEU  85          HD21      LEU  85   4.263   1.629   3.312
  702   HD22  LEU  85          HD22      LEU  85   2.652   2.225   3.713
  703   HD23  LEU  85          HD23      LEU  85   3.542   2.931   2.365
  704    H    GLU  86           HN       GLU  86   3.345  -0.551   5.284
  705    HA   GLU  86           HA       GLU  86   5.549   1.041   5.650
  706    HB2  GLU  86           HB2      GLU  86   3.882   0.873   7.342
  707    HB3  GLU  86           HB1      GLU  86   4.119  -0.858   7.497
  708    HG2  GLU  86           HG2      GLU  86   6.352  -0.443   8.440
  709    HG3  GLU  86           HG1      GLU  86   6.061   1.291   8.315
  710    H    ARG  87           HN       ARG  87   5.289  -2.482   6.156
  711    HA   ARG  87           HA       ARG  87   7.945  -2.885   6.937
  712    HB2  ARG  87           HB2      ARG  87   6.289  -4.480   7.454
  713    HB3  ARG  87           HB1      ARG  87   6.014  -4.724   5.761
  714    HG2  ARG  87           HG2      ARG  87   8.232  -5.689   5.494
  715    HG3  ARG  87           HG1      ARG  87   8.525  -5.434   7.216
  716    HD2  ARG  87           HD2      ARG  87   6.737  -6.952   7.785
  717    HD3  ARG  87           HD1      ARG  87   6.307  -7.134   6.086
  718    HE   ARG  87           HE       ARG  87   9.021  -7.864   6.612
  719   HH11  ARG  87          HH11      ARG  87   5.716  -8.985   6.788
  720   HH12  ARG  87          HH12      ARG  87   6.142 -10.662   6.656
  721   HH21  ARG  87          HH21      ARG  87   9.587 -10.081   6.422
  722   HH22  ARG  87          HH22      ARG  87   8.335 -11.282   6.439
  723    H    GLN  88           HN       GLN  88   6.545  -2.856   3.715
  724    HA   GLN  88           HA       GLN  88   8.894  -4.206   2.605
  725    HB2  GLN  88           HB2      GLN  88   6.130  -3.829   1.803
  726    HB3  GLN  88           HB1      GLN  88   7.247  -3.440   0.512
  727    HG2  GLN  88           HG2      GLN  88   8.271  -5.651   0.729
  728    HG3  GLN  88           HG1      GLN  88   7.167  -6.032   2.049
  729   HE21  GLN  88          HE21      GLN  88   6.237  -4.238  -0.799
  730   HE22  GLN  88          HE22      GLN  88   5.197  -5.450  -1.458
  731    H    VAL  89           HN       VAL  89   6.985  -1.343   2.202
  732    HA   VAL  89           HA       VAL  89   8.535   0.194   0.636
  733    HB   VAL  89           HB       VAL  89   6.759   0.804   2.922
  734   HG11  VAL  89          HG11      VAL  89   7.053   3.233   2.579
  735   HG12  VAL  89          HG12      VAL  89   8.369   2.915   1.448
  736   HG13  VAL  89          HG13      VAL  89   8.544   2.484   3.149
  737   HG21  VAL  89          HG21      VAL  89   5.789   0.299   0.764
  738   HG22  VAL  89          HG22      VAL  89   6.749   1.564  -0.002
  739   HG23  VAL  89          HG23      VAL  89   5.498   1.991   1.164
  740    H    ARG  90           HN       ARG  90   8.815  -0.104   4.147
  741    HA   ARG  90           HA       ARG  90  11.210   1.464   4.216
  742    HB2  ARG  90           HB2      ARG  90  11.579   0.805   6.480
  743    HB3  ARG  90           HB1      ARG  90   9.873   1.190   6.266
  744    HG2  ARG  90           HG2      ARG  90   9.339  -1.186   6.209
  745    HG3  ARG  90           HG1      ARG  90  11.051  -1.582   6.365
  746    HD2  ARG  90           HD2      ARG  90   9.804  -1.732   8.502
  747    HD3  ARG  90           HD1      ARG  90  11.143  -0.586   8.546
  748    HE   ARG  90           HE       ARG  90   8.774   0.770   7.843
  749   HH11  ARG  90          HH11      ARG  90  10.269  -0.799  10.590
  750   HH12  ARG  90          HH12      ARG  90   9.480   0.211  11.757
  751   HH21  ARG  90          HH21      ARG  90   7.733   2.100   9.373
  752   HH22  ARG  90          HH22      ARG  90   8.030   1.861  11.067
  753    H    LYS  91           HN       LYS  91  10.634  -2.021   3.988
  754    HA   LYS  91           HA       LYS  91  13.234  -2.866   4.337
  755    HB2  LYS  91           HB2      LYS  91  11.516  -4.444   4.312
  756    HB3  LYS  91           HB1      LYS  91  11.125  -3.936   2.715
  757    HG2  LYS  91           HG2      LYS  91  13.191  -4.854   1.839
  758    HG3  LYS  91           HG1      LYS  91  13.636  -5.346   3.475
  759    HD2  LYS  91           HD2      LYS  91  11.709  -6.832   3.570
  760    HD3  LYS  91           HD1      LYS  91  11.211  -6.312   1.960
  761    HE2  LYS  91           HE2      LYS  91  13.794  -7.720   2.626
  762    HE3  LYS  91           HE1      LYS  91  12.367  -8.482   1.927
  763    HZ1  LYS  91           HZ1      LYS  91  12.595  -6.997   0.009
  764    HZ2  LYS  91           HZ2      LYS  91  13.959  -7.973   0.219
  765    HZ3  LYS  91           HZ3      LYS  91  14.008  -6.348   0.675
  766    H    TYR  92           HN       TYR  92  11.547  -1.758   1.533
  767    HA   TYR  92           HA       TYR  92  13.706  -2.278  -0.282
  768    HB2  TYR  92           HB2      TYR  92  11.158  -2.171  -0.764
  769    HB3  TYR  92           HB1      TYR  92  11.408  -0.434  -0.869
  770    HD1  TYR  92           HD1      TYR  92  12.528  -3.668  -2.312
  771    HD2  TYR  92           HD2      TYR  92  12.211   0.539  -2.850
  772    HE1  TYR  92           HE1      TYR  92  13.234  -3.921  -4.653
  773    HE2  TYR  92           HE2      TYR  92  12.916   0.296  -5.192
  774    HH   TYR  92           HH       TYR  92  14.132  -1.250  -6.598
  775    H    LYS  93           HN       LYS  93  12.235   0.778   0.924
  776    HA   LYS  93           HA       LYS  93  14.108   2.424  -0.394
  777    HB2  LYS  93           HB2      LYS  93  13.319   4.253   0.985
  778    HB3  LYS  93           HB1      LYS  93  11.954   3.288   0.447
  779    HG2  LYS  93           HG2      LYS  93  11.653   2.342   2.577
  780    HG3  LYS  93           HG1      LYS  93  13.221   2.914   3.142
  781    HD2  LYS  93           HD2      LYS  93  12.414   5.232   2.962
  782    HD3  LYS  93           HD1      LYS  93  10.836   4.628   2.449
  783    HE2  LYS  93           HE2      LYS  93  10.490   3.552   4.558
  784    HE3  LYS  93           HE1      LYS  93  12.144   3.894   5.062
  785    HZ1  LYS  93           HZ1      LYS  93  10.023   5.913   4.579
  786    HZ2  LYS  93           HZ2      LYS  93  11.613   6.255   5.033
  787    HZ3  LYS  93           HZ3      LYS  93  10.598   5.416   6.088
  788    H    THR  94           HN       THR  94  14.076   1.025   2.854
  789    HA   THR  94           HA       THR  94  16.484   2.345   3.624
  790    HB   THR  94           HB       THR  94  14.924   0.072   4.875
  791    HG1  THR  94           HG1      THR  94  14.914   2.797   4.999
  792   HG21  THR  94          HG21      THR  94  16.374   0.289   6.838
  793   HG22  THR  94          HG22      THR  94  17.385   1.451   5.978
  794   HG23  THR  94          HG23      THR  94  17.308  -0.225   5.432
  795    H    ARG  95           HN       ARG  95  15.700  -0.761   2.118
  796    HA   ARG  95           HA       ARG  95  18.261  -1.910   2.179
  797    HB2  ARG  95           HB2      ARG  95  15.923  -2.707   1.156
  798    HB3  ARG  95           HB1      ARG  95  16.648  -2.105  -0.324
  799    HG2  ARG  95           HG2      ARG  95  17.921  -4.160   1.462
  800    HG3  ARG  95           HG1      ARG  95  16.925  -4.543   0.062
  801    HD2  ARG  95           HD2      ARG  95  18.513  -3.289  -1.360
  802    HD3  ARG  95           HD1      ARG  95  19.528  -3.022   0.058
  803    HE   ARG  95           HE       ARG  95  19.072  -5.760  -0.144
  804   HH11  ARG  95          HH11      ARG  95  20.717  -3.238  -1.938
  805   HH12  ARG  95          HH12      ARG  95  21.859  -4.329  -2.656
  806   HH21  ARG  95          HH21      ARG  95  20.577  -7.183  -1.090
  807   HH22  ARG  95          HH22      ARG  95  21.790  -6.563  -2.164
  808    H    ILE  96           HN       ILE  96  16.769   0.269  -0.207
  809    HA   ILE  96           HA       ILE  96  19.088   0.550  -1.810
  810    HB   ILE  96           HB       ILE  96  16.521   2.062  -1.584
  811   HG12  ILE  96          HG12      ILE  96  16.412   1.522  -4.003
  812   HG13  ILE  96          HG11      ILE  96  17.989   0.752  -3.886
  813   HG21  ILE  96          HG21      ILE  96  18.888   3.049  -3.173
  814   HG22  ILE  96          HG22      ILE  96  18.155   3.851  -1.784
  815   HG23  ILE  96          HG23      ILE  96  17.244   3.675  -3.285
  816   HD11  ILE  96          HD11      ILE  96  17.061  -0.906  -2.360
  817   HD12  ILE  96          HD12      ILE  96  16.203  -0.882  -3.900
  818   HD13  ILE  96          HD13      ILE  96  15.482  -0.131  -2.477
  819    H    ASN  97           HN       ASN  97  17.736   2.713   0.693
  820    HA   ASN  97           HA       ASN  97  19.742   4.675   0.459
  821    HB2  ASN  97           HB2      ASN  97  17.856   4.025   2.723
  822    HB3  ASN  97           HB1      ASN  97  18.945   5.407   2.747
  823   HD21  ASN  97          HD21      ASN  97  18.684   5.960  -0.089
  824   HD22  ASN  97          HD22      ASN  97  17.109   6.634  -0.311
  825    H    ARG  98           HN       ARG  98  19.659   1.684   2.237
  826    HA   ARG  98           HA       ARG  98  21.661   2.208   4.124
  827    HB2  ARG  98           HB2      ARG  98  20.129   0.205   4.018
  828    HB3  ARG  98           HB1      ARG  98  21.170  -0.438   2.759
  829    HG2  ARG  98           HG2      ARG  98  23.023  -0.559   4.290
  830    HG3  ARG  98           HG1      ARG  98  22.067   0.222   5.555
  831    HD2  ARG  98           HD2      ARG  98  20.486  -1.651   5.497
  832    HD3  ARG  98           HD1      ARG  98  21.461  -2.429   4.256
  833    HE   ARG  98           HE       ARG  98  23.049  -1.890   6.520
  834   HH11  ARG  98          HH11      ARG  98  20.500  -4.010   5.406
  835   HH12  ARG  98          HH12      ARG  98  20.914  -5.294   6.498
  836   HH21  ARG  98          HH21      ARG  98  23.621  -3.579   7.933
  837   HH22  ARG  98          HH22      ARG  98  22.706  -5.050   7.932
  838    H    LYS  99           HN       LYS  99  21.871   1.102   0.776
  839    HA   LYS  99           HA       LYS  99  24.782   1.055   0.917
  840    HB2  LYS  99           HB2      LYS  99  22.890   0.412  -1.349
  841    HB3  LYS  99           HB1      LYS  99  24.638   0.286  -1.447
  842    HG2  LYS  99           HG2      LYS  99  22.874  -1.276   0.424
  843    HG3  LYS  99           HG1      LYS  99  23.581  -1.883  -1.072
  844    HD2  LYS  99           HD2      LYS  99  25.135  -0.887   1.317
  845    HD3  LYS  99           HD1      LYS  99  24.846  -2.580   0.928
  846    HE2  LYS  99           HE2      LYS  99  26.351  -0.600  -0.779
  847    HE3  LYS  99           HE1      LYS  99  27.068  -1.868   0.212
  848    HZ1  LYS  99           HZ1      LYS  99  25.925  -3.515  -1.152
  849    HZ2  LYS  99           HZ2      LYS  99  26.946  -2.543  -2.086
  850    HZ3  LYS  99           HZ3      LYS  99  25.275  -2.287  -2.117
  851    H    SER 100           HN       SER 100  22.179   2.855  -0.637
  852    HA   SER 100           HA       SER 100  24.055   4.511  -2.095
  853    HB2  SER 100           HB2      SER 100  21.035   4.648  -1.944
  854    HB3  SER 100           HB1      SER 100  22.057   5.503  -3.101
  855    HG   SER 100           HG       SER 100  22.440   3.673  -4.156
  856    H    ARG 101           HN       ARG 101  23.679   4.579   0.955
  857    HA   ARG 101           HA       ARG 101  22.773   7.241   1.507
  858    HB2  ARG 101           HB2      ARG 101  23.710   6.867   3.758
  859    HB3  ARG 101           HB1      ARG 101  22.697   5.523   3.251
  860    HG2  ARG 101           HG2      ARG 101  24.673   4.229   2.680
  861    HG3  ARG 101           HG1      ARG 101  25.702   5.583   3.142
  862    HD2  ARG 101           HD2      ARG 101  24.633   5.415   5.439
  863    HD3  ARG 101           HD1      ARG 101  23.975   3.867   4.902
  864    HE   ARG 101           HE       ARG 101  26.864   4.376   4.760
  865   HH11  ARG 101          HH11      ARG 101  24.179   2.527   6.049
  866   HH12  ARG 101          HH12      ARG 101  25.196   1.282   6.700
  867   HH21  ARG 101          HH21      ARG 101  28.190   2.745   5.611
  868   HH22  ARG 101          HH22      ARG 101  27.480   1.400   6.452
  869    H    ASP 102           HN       ASP 102  25.852   5.673   0.945
  870    HA   ASP 102           HA       ASP 102  27.098   8.094   0.111
  871    HB2  ASP 102           HB2      ASP 102  28.903   8.135   1.775
  872    HB3  ASP 102           HB1      ASP 102  27.344   8.382   2.549
  873    H    ARG 103           HN       ARG 103  28.941   7.673  -1.099
  874    HA   ARG 103           HA       ARG 103  29.554   4.809  -1.460
  875    HB2  ARG 103           HB2      ARG 103  28.207   5.784  -3.307
  876    HB3  ARG 103           HB1      ARG 103  29.493   6.941  -3.601
  877    HG2  ARG 103           HG2      ARG 103  31.014   5.085  -4.135
  878    HG3  ARG 103           HG1      ARG 103  29.683   3.953  -3.891
  879    HD2  ARG 103           HD2      ARG 103  28.429   5.023  -5.687
  880    HD3  ARG 103           HD1      ARG 103  29.734   6.185  -5.920
  881    HE   ARG 103           HE       ARG 103  30.855   3.663  -6.186
  882   HH11  ARG 103          HH11      ARG 103  28.427   5.597  -7.806
  883   HH12  ARG 103          HH12      ARG 103  28.695   4.866  -9.355
  884   HH21  ARG 103          HH21      ARG 103  31.236   2.722  -8.229
  885   HH22  ARG 103          HH22      ARG 103  30.298   3.230  -9.601
  886    H    GLY 104           HN       GLY 104  30.738   7.899  -0.768
  887    HA2  GLY 104           HA2      GLY 104  33.392   7.468  -1.846
  888    HA3  GLY 104           HA1      GLY 104  32.845   8.872  -0.944
  889    H    ASP 105           HN       ASP 105  35.255   8.028  -0.343
  890    HA   ASP 105           HA       ASP 105  35.220   6.116   1.839
  891    HB2  ASP 105           HB2      ASP 105  37.446   7.824   0.709
  892    HB3  ASP 105           HB1      ASP 105  37.653   6.644   1.997
  893    H    GLN 106           HN       GLN 106  34.207   9.114   1.583
  894    HA   GLN 106           HA       GLN 106  35.334  10.855   3.302
  895    HB2  GLN 106           HB2      GLN 106  32.359  10.343   3.212
  896    HB3  GLN 106           HB1      GLN 106  33.167  11.861   3.581
  897    HG2  GLN 106           HG2      GLN 106  33.942  12.071   1.325
  898    HG3  GLN 106           HG1      GLN 106  33.348  10.462   0.923
  899   HE21  GLN 106          HE21      GLN 106  31.616  12.791   2.887
  900   HE22  GLN 106          HE22      GLN 106  30.334  13.064   1.760
  901    H    GLU 107           HN       GLU 107  32.766   8.596   4.351
  902    HA   GLU 107           HA       GLU 107  32.147   7.855   6.412
  903    HB2  GLU 107           HB2      GLU 107  35.154   7.695   6.655
  904    HB3  GLU 107           HB1      GLU 107  34.043   6.994   7.823
  905    HG2  GLU 107           HG2      GLU 107  34.203   6.270   4.907
  906    HG3  GLU 107           HG1      GLU 107  34.877   5.335   6.240
  907    H    VAL 108           HN       VAL 108  31.841  10.492   6.338
  908    HA   VAL 108           HA       VAL 108  32.994  11.521   8.846
  909    HB   VAL 108           HB       VAL 108  32.430  13.790   7.970
  910   HG11  VAL 108          HG11      VAL 108  34.267  12.135   6.242
  911   HG12  VAL 108          HG12      VAL 108  34.692  12.928   7.759
  912   HG13  VAL 108          HG13      VAL 108  34.270  13.894   6.346
  913   HG21  VAL 108          HG21      VAL 108  31.927  14.063   5.596
  914   HG22  VAL 108          HG22      VAL 108  30.666  13.131   6.405
  915   HG23  VAL 108          HG23      VAL 108  31.862  12.311   5.401
  916    H    PHE 109           HN       PHE 109  30.620   9.792   8.437
  917    HA   PHE 109           HA       PHE 109  28.543  11.600   9.492
  918    HB2  PHE 109           HB2      PHE 109  28.054   8.955   8.113
  919    HB3  PHE 109           HB1      PHE 109  26.872  10.199   8.502
  920    HD1  PHE 109           HD1      PHE 109  27.242  12.510   7.371
  921    HD2  PHE 109           HD2      PHE 109  28.975   8.875   5.996
  922    HE1  PHE 109           HE1      PHE 109  27.568  13.509   5.147
  923    HE2  PHE 109           HE2      PHE 109  29.302   9.867   3.768
  924    HZ   PHE 109           HZ       PHE 109  28.598  12.186   3.342
  925    H    VAL 110           HN       VAL 110  30.752  10.017  10.767
  926    HA   VAL 110           HA       VAL 110  29.170   8.253  12.483
  927    HB   VAL 110           HB       VAL 110  31.068   7.113  11.593
  928   HG11  VAL 110          HG11      VAL 110  32.778   9.375  12.607
  929   HG12  VAL 110          HG12      VAL 110  32.432   8.994  10.922
  930   HG13  VAL 110          HG13      VAL 110  33.379   7.875  11.902
  931   HG21  VAL 110          HG21      VAL 110  32.309   6.490  13.609
  932   HG22  VAL 110          HG22      VAL 110  30.577   6.613  13.918
  933   HG23  VAL 110          HG23      VAL 110  31.660   7.903  14.440
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1   2.075  14.398  -6.975
    2    H2   MET   1           HT2      MET   1   3.291  13.998  -5.873
    3    H3   MET   1           HT3      MET   1   2.837  15.612  -6.079
    4    HA   MET   1           HA       MET   1   1.939  14.702  -4.036
    5    HB2  MET   1           HB2      MET   1  -0.147  15.229  -6.163
    6    HB3  MET   1           HB1      MET   1  -0.429  15.289  -4.432
    7    HG2  MET   1           HG2      MET   1   1.424  17.081  -5.982
    8    HG3  MET   1           HG1      MET   1  -0.170  17.511  -5.367
    9    HE1  MET   1           HE1      MET   1   2.171  19.603  -3.053
   10    HE2  MET   1           HE2      MET   1   0.775  19.635  -4.130
   11    HE3  MET   1           HE3      MET   1   2.377  19.275  -4.774
   12    H    ILE   2           HN       ILE   2  -0.159  13.438  -3.337
   13    HA   ILE   2           HA       ILE   2   0.171  10.731  -4.450
   14    HB   ILE   2           HB       ILE   2  -0.430   9.845  -2.301
   15   HG12  ILE   2          HG12      ILE   2  -0.863  12.707  -1.403
   16   HG13  ILE   2          HG11      ILE   2  -2.144  11.537  -1.706
   17   HG21  ILE   2          HG21      ILE   2   1.894  10.601  -2.640
   18   HG22  ILE   2          HG22      ILE   2   1.401  10.658  -0.949
   19   HG23  ILE   2          HG23      ILE   2   1.477  12.140  -1.896
   20   HD11  ILE   2          HD11      ILE   2  -0.008  11.297   0.400
   21   HD12  ILE   2          HD12      ILE   2  -1.312  10.146   0.108
   22   HD13  ILE   2          HD13      ILE   2  -1.682  11.776   0.670
   23    H    ARG   3           HN       ARG   3  -1.652   9.474  -4.921
   24    HA   ARG   3           HA       ARG   3  -4.258  10.697  -4.587
   25    HB2  ARG   3           HB2      ARG   3  -2.931   9.659  -7.033
   26    HB3  ARG   3           HB1      ARG   3  -4.640   9.586  -6.865
   27    HG2  ARG   3           HG2      ARG   3  -4.742  12.015  -6.591
   28    HG3  ARG   3           HG1      ARG   3  -2.987  12.082  -6.762
   29    HD2  ARG   3           HD2      ARG   3  -4.089  12.668  -8.854
   30    HD3  ARG   3           HD1      ARG   3  -3.172  11.173  -9.024
   31    HE   ARG   3           HE       ARG   3  -5.501  10.115  -8.562
   32   HH11  ARG   3          HH11      ARG   3  -4.882  13.009 -10.446
   33   HH12  ARG   3          HH12      ARG   3  -6.268  12.788 -11.463
   34   HH21  ARG   3          HH21      ARG   3  -7.301   9.817  -9.897
   35   HH22  ARG   3          HH22      ARG   3  -7.657  10.977 -11.141
   36    H    PHE   4           HN       PHE   4  -5.962   9.126  -4.975
   37    HA   PHE   4           HA       PHE   4  -5.217   6.348  -4.434
   38    HB2  PHE   4           HB2      PHE   4  -6.964   6.103  -2.822
   39    HB3  PHE   4           HB1      PHE   4  -6.034   7.527  -2.384
   40    HD1  PHE   4           HD1      PHE   4  -6.987   9.811  -2.979
   41    HD2  PHE   4           HD2      PHE   4  -9.263   6.222  -3.107
   42    HE1  PHE   4           HE1      PHE   4  -9.064  11.125  -2.859
   43    HE2  PHE   4           HE2      PHE   4 -11.341   7.528  -2.994
   44    HZ   PHE   4           HZ       PHE   4 -11.244   9.982  -2.868
   45    H    GLU   5           HN       GLU   5  -5.891   5.095  -6.030
   46    HA   GLU   5           HA       GLU   5  -8.158   6.052  -7.649
   47    HB2  GLU   5           HB2      GLU   5  -5.745   4.479  -8.601
   48    HB3  GLU   5           HB1      GLU   5  -7.087   5.008  -9.603
   49    HG2  GLU   5           HG2      GLU   5  -5.108   6.789  -8.201
   50    HG3  GLU   5           HG1      GLU   5  -5.152   6.426  -9.926
   51    H    ILE   6           HN       ILE   6  -9.525   4.951  -6.388
   52    HA   ILE   6           HA       ILE   6  -9.198   2.071  -6.130
   53    HB   ILE   6           HB       ILE   6 -11.142   4.018  -4.909
   54   HG12  ILE   6          HG12      ILE   6  -8.868   2.530  -3.598
   55   HG13  ILE   6          HG11      ILE   6  -8.734   4.172  -4.212
   56   HG21  ILE   6          HG21      ILE   6 -11.898   2.198  -3.464
   57   HG22  ILE   6          HG22      ILE   6 -10.742   1.092  -4.196
   58   HG23  ILE   6          HG23      ILE   6 -12.098   1.694  -5.146
   59   HD11  ILE   6          HD11      ILE   6 -10.471   3.190  -1.970
   60   HD12  ILE   6          HD12      ILE   6 -10.576   4.807  -2.664
   61   HD13  ILE   6          HD13      ILE   6  -9.087   4.284  -1.875
   62    H    HIS   7           HN       HIS   7 -10.535   0.677  -6.975
   63    HA   HIS   7           HA       HIS   7 -13.054   1.594  -8.193
   64    HB2  HIS   7           HB2      HIS   7 -11.052  -0.358  -9.244
   65    HB3  HIS   7           HB1      HIS   7 -12.763  -0.571  -9.583
   66    HD1  HIS   7           HD1      HIS   7 -10.051   0.566 -11.344
   67    HD2  HIS   7           HD2      HIS   7 -13.669   2.378 -10.406
   68    HE1  HIS   7           HE1      HIS   7 -10.331   2.420 -13.014
   69    HE2  HIS   7           HE2      HIS   7 -12.439   3.610 -12.319
   70    H    GLY   8           HN       GLY   8 -14.242   1.057  -6.383
   71    HA2  GLY   8           HA2      GLY   8 -13.648  -1.614  -5.468
   72    HA3  GLY   8           HA1      GLY   8 -14.319  -0.370  -4.419
   73    H    ASP   9           HN       ASP   9 -15.081  -3.165  -5.904
   74    HA   ASP   9           HA       ASP   9 -17.871  -2.457  -6.441
   75    HB2  ASP   9           HB2      ASP   9 -16.290  -4.986  -6.935
   76    HB3  ASP   9           HB1      ASP   9 -18.026  -4.872  -7.190
   77    H    ASN  10           HN       ASN  10 -17.920  -1.974  -4.070
   78    HA   ASN  10           HA       ASN  10 -18.119  -4.360  -2.374
   79    HB2  ASN  10           HB2      ASN  10 -16.835  -2.131  -1.789
   80    HB3  ASN  10           HB1      ASN  10 -18.440  -1.547  -1.369
   81   HD21  ASN  10          HD21      ASN  10 -19.502  -2.432   0.426
   82   HD22  ASN  10          HD22      ASN  10 -18.660  -3.370   1.606
   83    H    LEU  11           HN       LEU  11 -19.989  -2.826  -4.427
   84    HA   LEU  11           HA       LEU  11 -22.208  -2.747  -4.844
   85    HB2  LEU  11           HB2      LEU  11 -22.545  -4.055  -2.145
   86    HB3  LEU  11           HB1      LEU  11 -23.823  -3.817  -3.323
   87    HG   LEU  11           HG       LEU  11 -21.385  -5.564  -3.682
   88   HD11  LEU  11          HD11      LEU  11 -23.019  -6.498  -2.134
   89   HD12  LEU  11          HD12      LEU  11 -22.984  -7.405  -3.647
   90   HD13  LEU  11          HD13      LEU  11 -24.294  -6.267  -3.332
   91   HD21  LEU  11          HD21      LEU  11 -22.509  -6.290  -5.757
   92   HD22  LEU  11          HD22      LEU  11 -22.017  -4.598  -5.797
   93   HD23  LEU  11          HD23      LEU  11 -23.707  -5.017  -5.523
   94    H    THR  12           HN       THR  12 -21.297  -1.800  -1.574
   95    HA   THR  12           HA       THR  12 -22.564   0.785  -2.085
   96    HB   THR  12           HB       THR  12 -22.861  -0.715   0.530
   97    HG1  THR  12           HG1      THR  12 -24.472  -0.469  -1.746
   98   HG21  THR  12          HG21      THR  12 -24.017   1.926  -0.384
   99   HG22  THR  12          HG22      THR  12 -22.740   1.721   0.816
  100   HG23  THR  12          HG23      THR  12 -24.365   1.123   1.147
  101    H    ILE  13           HN       ILE  13 -20.461   1.557  -2.475
  102    HA   ILE  13           HA       ILE  13 -18.555   1.475  -0.281
  103    HB   ILE  13           HB       ILE  13 -17.171   2.964  -1.860
  104   HG12  ILE  13          HG12      ILE  13 -17.771   2.427  -4.312
  105   HG13  ILE  13          HG11      ILE  13 -19.385   2.082  -3.705
  106   HG21  ILE  13          HG21      ILE  13 -16.643   0.654  -1.401
  107   HG22  ILE  13          HG22      ILE  13 -16.373   1.013  -3.105
  108   HG23  ILE  13          HG23      ILE  13 -17.810   0.121  -2.610
  109   HD11  ILE  13          HD11      ILE  13 -19.516   4.367  -2.827
  110   HD12  ILE  13          HD12      ILE  13 -19.272   4.322  -4.572
  111   HD13  ILE  13          HD13      ILE  13 -17.922   4.701  -3.502
  112    H    THR  14           HN       THR  14 -17.670   3.407   0.657
  113    HA   THR  14           HA       THR  14 -19.420   5.752   0.463
  114    HB   THR  14           HB       THR  14 -19.228   5.975   2.980
  115    HG1  THR  14           HG1      THR  14 -18.642   3.190   2.899
  116   HG21  THR  14          HG21      THR  14 -21.314   5.271   1.943
  117   HG22  THR  14          HG22      THR  14 -21.054   4.385   3.444
  118   HG23  THR  14          HG23      THR  14 -20.748   3.601   1.895
  119    H    ASP  15           HN       ASP  15 -18.435   7.662   1.594
  120    HA   ASP  15           HA       ASP  15 -15.757   8.019   0.684
  121    HB2  ASP  15           HB2      ASP  15 -17.538   9.799   2.356
  122    HB3  ASP  15           HB1      ASP  15 -15.949  10.272   1.772
  123    H    ALA  16           HN       ALA  16 -17.101   6.748   3.470
  124    HA   ALA  16           HA       ALA  16 -15.380   7.295   5.556
  125    HB1  ALA  16           HB1      ALA  16 -16.409   4.574   4.759
  126    HB2  ALA  16           HB2      ALA  16 -17.373   5.793   5.610
  127    HB3  ALA  16           HB3      ALA  16 -15.948   5.094   6.385
  128    H    ILE  17           HN       ILE  17 -15.091   4.650   3.252
  129    HA   ILE  17           HA       ILE  17 -12.509   3.808   4.032
  130    HB   ILE  17           HB       ILE  17 -14.177   3.405   1.579
  131   HG12  ILE  17          HG12      ILE  17 -14.012   0.963   2.581
  132   HG13  ILE  17          HG11      ILE  17 -13.590   1.827   4.058
  133   HG21  ILE  17          HG21      ILE  17 -11.498   2.151   2.192
  134   HG22  ILE  17          HG22      ILE  17 -11.882   3.224   0.846
  135   HG23  ILE  17          HG23      ILE  17 -12.587   1.609   0.916
  136   HD11  ILE  17          HD11      ILE  17 -15.693   2.982   4.034
  137   HD12  ILE  17          HD12      ILE  17 -15.977   1.248   3.904
  138   HD13  ILE  17          HD13      ILE  17 -16.110   2.273   2.476
  139    H    ARG  18           HN       ARG  18 -13.768   5.846   1.467
  140    HA   ARG  18           HA       ARG  18 -11.482   6.268   0.030
  141    HB2  ARG  18           HB2      ARG  18 -13.704   8.232   0.623
  142    HB3  ARG  18           HB1      ARG  18 -12.452   8.509  -0.576
  143    HG2  ARG  18           HG2      ARG  18 -13.220   6.542  -1.821
  144    HG3  ARG  18           HG1      ARG  18 -14.497   6.301  -0.624
  145    HD2  ARG  18           HD2      ARG  18 -15.437   8.480  -1.164
  146    HD3  ARG  18           HD1      ARG  18 -14.141   8.772  -2.317
  147    HE   ARG  18           HE       ARG  18 -15.178   6.544  -3.311
  148   HH11  ARG  18          HH11      ARG  18 -16.821   9.373  -2.046
  149   HH12  ARG  18          HH12      ARG  18 -18.140   9.256  -3.176
  150   HH21  ARG  18          HH21      ARG  18 -16.911   6.403  -4.793
  151   HH22  ARG  18          HH22      ARG  18 -18.187   7.579  -4.733
  152    H    ASN  19           HN       ASN  19 -12.802   8.150   2.706
  153    HA   ASN  19           HA       ASN  19 -10.613   9.775   3.286
  154    HB2  ASN  19           HB2      ASN  19 -12.998   8.791   4.754
  155    HB3  ASN  19           HB1      ASN  19 -11.693   9.434   5.735
  156   HD21  ASN  19          HD21      ASN  19 -11.142  11.628   5.539
  157   HD22  ASN  19          HD22      ASN  19 -12.216  12.765   4.794
  158    H    TYR  20           HN       TYR  20 -11.493   6.597   4.624
  159    HA   TYR  20           HA       TYR  20  -9.544   6.213   6.494
  160    HB2  TYR  20           HB2      TYR  20 -11.426   4.599   5.684
  161    HB3  TYR  20           HB1      TYR  20 -10.212   4.008   4.559
  162    HD1  TYR  20           HD1      TYR  20 -11.595   3.604   7.766
  163    HD2  TYR  20           HD2      TYR  20  -7.916   3.297   5.650
  164    HE1  TYR  20           HE1      TYR  20 -10.727   2.093   9.498
  165    HE2  TYR  20           HE2      TYR  20  -7.042   1.784   7.382
  166    HH   TYR  20           HH       TYR  20  -9.030   0.348   9.739
  167    H    ILE  21           HN       ILE  21  -9.251   5.806   2.979
  168    HA   ILE  21           HA       ILE  21  -6.596   4.644   3.271
  169    HB   ILE  21           HB       ILE  21  -8.329   5.264   0.883
  170   HG12  ILE  21          HG12      ILE  21  -7.656   2.650   2.264
  171   HG13  ILE  21          HG11      ILE  21  -9.219   3.456   2.256
  172   HG21  ILE  21          HG21      ILE  21  -5.983   5.364   0.251
  173   HG22  ILE  21          HG22      ILE  21  -6.728   3.919  -0.429
  174   HG23  ILE  21          HG23      ILE  21  -5.691   3.791   0.991
  175   HD11  ILE  21          HD11      ILE  21  -9.409   3.071  -0.138
  176   HD12  ILE  21          HD12      ILE  21  -9.183   1.560   0.742
  177   HD13  ILE  21          HD13      ILE  21  -7.834   2.277  -0.139
  178    H    GLU  22           HN       GLU  22  -8.312   7.500   2.421
  179    HA   GLU  22           HA       GLU  22  -6.369   8.748   0.925
  180    HB2  GLU  22           HB2      GLU  22  -8.645   9.555   0.876
  181    HB3  GLU  22           HB1      GLU  22  -8.600   9.882   2.600
  182    HG2  GLU  22           HG2      GLU  22  -8.402  11.977   1.660
  183    HG3  GLU  22           HG1      GLU  22  -6.734  11.549   2.023
  184    H    GLU  23           HN       GLU  23  -7.211   8.780   4.265
  185    HA   GLU  23           HA       GLU  23  -5.223  10.757   4.951
  186    HB2  GLU  23           HB2      GLU  23  -7.053   9.293   6.834
  187    HB3  GLU  23           HB1      GLU  23  -6.365  10.907   7.005
  188    HG2  GLU  23           HG2      GLU  23  -7.741  11.733   5.204
  189    HG3  GLU  23           HG1      GLU  23  -8.370  10.099   4.889
  190    H    LYS  24           HN       LYS  24  -5.823   7.260   5.473
  191    HA   LYS  24           HA       LYS  24  -3.644   6.962   7.264
  192    HB2  LYS  24           HB2      LYS  24  -5.497   5.305   6.887
  193    HB3  LYS  24           HB1      LYS  24  -4.718   4.877   5.373
  194    HG2  LYS  24           HG2      LYS  24  -2.799   4.039   6.510
  195    HG3  LYS  24           HG1      LYS  24  -3.354   4.698   8.049
  196    HD2  LYS  24           HD2      LYS  24  -5.370   3.188   7.819
  197    HD3  LYS  24           HD1      LYS  24  -4.526   2.416   6.476
  198    HE2  LYS  24           HE2      LYS  24  -4.173   1.165   8.524
  199    HE3  LYS  24           HE1      LYS  24  -2.659   1.877   7.971
  200    HZ1  LYS  24           HZ1      LYS  24  -4.396   3.009  10.099
  201    HZ2  LYS  24           HZ2      LYS  24  -2.900   3.617   9.603
  202    HZ3  LYS  24           HZ3      LYS  24  -2.987   2.115  10.369
  203    H    ILE  25           HN       ILE  25  -3.905   6.315   3.749
  204    HA   ILE  25           HA       ILE  25  -1.166   5.868   3.295
  205    HB   ILE  25           HB       ILE  25  -3.257   7.004   1.428
  206   HG12  ILE  25          HG12      ILE  25  -3.699   4.708   2.216
  207   HG13  ILE  25          HG11      ILE  25  -3.345   4.753   0.493
  208   HG21  ILE  25          HG21      ILE  25  -0.491   5.990   0.782
  209   HG22  ILE  25          HG22      ILE  25  -1.049   7.658   0.658
  210   HG23  ILE  25          HG23      ILE  25  -1.726   6.421  -0.401
  211   HD11  ILE  25          HD11      ILE  25  -2.271   2.859   1.517
  212   HD12  ILE  25          HD12      ILE  25  -1.467   3.905   2.684
  213   HD13  ILE  25          HD13      ILE  25  -1.050   4.010   0.974
  214    H    GLY  26           HN       GLY  26  -3.123   8.823   3.315
  215    HA2  GLY  26           HA2      GLY  26  -1.176  10.683   2.665
  216    HA3  GLY  26           HA1      GLY  26  -2.506  10.980   3.772
  217    H    LYS  27           HN       LYS  27  -1.674   9.021   5.792
  218    HA   LYS  27           HA       LYS  27   0.163  10.833   7.078
  219    HB2  LYS  27           HB2      LYS  27  -1.716   8.765   7.948
  220    HB3  LYS  27           HB1      LYS  27  -0.226   8.813   8.879
  221    HG2  LYS  27           HG2      LYS  27  -1.950  10.183   9.907
  222    HG3  LYS  27           HG1      LYS  27  -0.593  11.172   9.365
  223    HD2  LYS  27           HD2      LYS  27  -1.886  11.712   7.311
  224    HD3  LYS  27           HD1      LYS  27  -3.256  10.833   7.990
  225    HE2  LYS  27           HE2      LYS  27  -3.246  12.365   9.919
  226    HE3  LYS  27           HE1      LYS  27  -1.920  13.261   9.181
  227    HZ1  LYS  27           HZ1      LYS  27  -4.644  12.931   8.045
  228    HZ2  LYS  27           HZ2      LYS  27  -3.370  13.753   7.298
  229    HZ3  LYS  27           HZ3      LYS  27  -4.018  14.336   8.746
  230    H    LEU  28           HN       LEU  28   0.102   7.703   5.637
  231    HA   LEU  28           HA       LEU  28   2.681   6.917   6.591
  232    HB2  LEU  28           HB2      LEU  28   1.249   5.934   4.146
  233    HB3  LEU  28           HB1      LEU  28   2.480   5.089   5.078
  234    HG   LEU  28           HG       LEU  28  -0.174   5.936   6.208
  235   HD11  LEU  28          HD11      LEU  28   0.663   3.248   5.071
  236   HD12  LEU  28          HD12      LEU  28  -0.555   4.332   4.403
  237   HD13  LEU  28          HD13      LEU  28  -0.827   3.555   5.960
  238   HD21  LEU  28          HD21      LEU  28   0.383   4.282   7.950
  239   HD22  LEU  28          HD22      LEU  28   1.571   5.582   7.858
  240   HD23  LEU  28          HD23      LEU  28   1.940   3.999   7.174
  241    H    GLU  29           HN       GLU  29   1.478   8.638   3.810
  242    HA   GLU  29           HA       GLU  29   4.030   8.701   2.463
  243    HB2  GLU  29           HB2      GLU  29   1.274   9.287   1.837
  244    HB3  GLU  29           HB1      GLU  29   2.315  10.605   1.325
  245    HG2  GLU  29           HG2      GLU  29   2.917   7.756   0.623
  246    HG3  GLU  29           HG1      GLU  29   1.838   8.753  -0.352
  247    H    ARG  30           HN       ARG  30   2.296  10.665   4.737
  248    HA   ARG  30           HA       ARG  30   3.435  13.145   4.229
  249    HB2  ARG  30           HB2      ARG  30   2.060  11.918   6.461
  250    HB3  ARG  30           HB1      ARG  30   3.097  13.258   6.905
  251    HG2  ARG  30           HG2      ARG  30   1.909  14.593   5.128
  252    HG3  ARG  30           HG1      ARG  30   0.761  13.258   5.013
  253    HD2  ARG  30           HD2      ARG  30  -0.028  15.051   6.507
  254    HD3  ARG  30           HD1      ARG  30   0.178  13.513   7.347
  255    HE   ARG  30           HE       ARG  30   2.556  14.815   7.702
  256   HH11  ARG  30          HH11      ARG  30  -0.786  15.610   8.365
  257   HH12  ARG  30          HH12      ARG  30  -0.411  16.561   9.765
  258   HH21  ARG  30          HH21      ARG  30   3.050  16.067   9.533
  259   HH22  ARG  30          HH22      ARG  30   1.773  16.829  10.426
  260    H    TYR  31           HN       TYR  31   5.094  10.414   5.291
  261    HA   TYR  31           HA       TYR  31   7.106  11.738   6.816
  262    HB2  TYR  31           HB2      TYR  31   7.179   9.146   5.257
  263    HB3  TYR  31           HB1      TYR  31   8.509   9.727   6.253
  264    HD1  TYR  31           HD1      TYR  31   7.931  10.258   8.733
  265    HD2  TYR  31           HD2      TYR  31   5.553   7.782   6.227
  266    HE1  TYR  31           HE1      TYR  31   6.922   9.229  10.722
  267    HE2  TYR  31           HE2      TYR  31   4.533   6.745   8.209
  268    HH   TYR  31           HH       TYR  31   5.073   6.388  10.589
  269    H    PHE  32           HN       PHE  32   6.287  11.626   3.525
  270    HA   PHE  32           HA       PHE  32   8.870  12.762   2.715
  271    HB2  PHE  32           HB2      PHE  32   6.779  11.942   0.778
  272    HB3  PHE  32           HB1      PHE  32   8.520  11.857   0.645
  273    HD1  PHE  32           HD1      PHE  32   9.370  10.255   2.902
  274    HD2  PHE  32           HD2      PHE  32   5.971   9.786   0.382
  275    HE1  PHE  32           HE1      PHE  32   9.338   7.851   3.397
  276    HE2  PHE  32           HE2      PHE  32   5.932   7.382   0.889
  277    HZ   PHE  32           HZ       PHE  32   7.615   6.411   2.395
  278    H    ASN  33           HN       ASN  33   8.685  14.586   1.185
  279    HA   ASN  33           HA       ASN  33   5.991  15.687   1.167
  280    HB2  ASN  33           HB2      ASN  33   7.263  17.131   2.605
  281    HB3  ASN  33           HB1      ASN  33   8.576  17.230   1.437
  282   HD21  ASN  33          HD21      ASN  33   8.439  18.657  -0.242
  283   HD22  ASN  33          HD22      ASN  33   7.170  19.821  -0.405
  284    H    ASP  34           HN       ASP  34   9.015  15.482  -0.608
  285    HA   ASP  34           HA       ASP  34   7.965  16.748  -2.876
  286    HB2  ASP  34           HB2      ASP  34  10.597  15.436  -2.344
  287    HB3  ASP  34           HB1      ASP  34  10.190  16.124  -3.913
  288    H    VAL  35           HN       VAL  35   6.657  14.307  -2.057
  289    HA   VAL  35           HA       VAL  35   7.287  12.129  -3.703
  290    HB   VAL  35           HB       VAL  35   5.829  11.772  -1.845
  291   HG11  VAL  35          HG11      VAL  35   3.541  12.713  -1.774
  292   HG12  VAL  35          HG12      VAL  35   3.952  13.729  -3.155
  293   HG13  VAL  35          HG13      VAL  35   4.805  13.933  -1.626
  294   HG21  VAL  35          HG21      VAL  35   5.427  10.303  -3.728
  295   HG22  VAL  35          HG22      VAL  35   4.285  11.453  -4.416
  296   HG23  VAL  35          HG23      VAL  35   3.914  10.642  -2.895
  297    HA   PRO  36           HA       PRO  36   5.985  13.830  -7.667
  298    HB2  PRO  36           HB2      PRO  36   6.619  11.085  -8.545
  299    HB3  PRO  36           HB1      PRO  36   7.260  12.624  -9.126
  300    HG2  PRO  36           HG2      PRO  36   8.749  10.952  -7.655
  301    HG3  PRO  36           HG1      PRO  36   8.890  12.713  -7.490
  302    HD2  PRO  36           HD2      PRO  36   7.464  10.752  -5.735
  303    HD3  PRO  36           HD1      PRO  36   8.446  12.162  -5.285
  304    H    ASN  37           HN       ASN  37   5.273  10.426  -6.825
  305    HA   ASN  37           HA       ASN  37   2.439  10.890  -7.024
  306    HB2  ASN  37           HB2      ASN  37   2.932  10.610  -9.383
  307    HB3  ASN  37           HB1      ASN  37   3.838   9.138  -9.057
  308   HD21  ASN  37          HD21      ASN  37   0.697  10.564  -9.351
  309   HD22  ASN  37          HD22      ASN  37  -0.197   9.084  -9.361
  310    H    ALA  38           HN       ALA  38   1.633   9.797  -5.365
  311    HA   ALA  38           HA       ALA  38   2.492   6.995  -5.026
  312    HB1  ALA  38           HB1      ALA  38   3.278   8.496  -3.157
  313    HB2  ALA  38           HB2      ALA  38   2.262   7.142  -2.662
  314    HB3  ALA  38           HB3      ALA  38   1.579   8.762  -2.762
  315    H    VAL  39           HN       VAL  39   0.837   5.690  -5.553
  316    HA   VAL  39           HA       VAL  39  -1.872   6.799  -5.500
  317    HB   VAL  39           HB       VAL  39  -0.266   5.232  -7.449
  318   HG11  VAL  39          HG11      VAL  39  -3.247   4.975  -7.410
  319   HG12  VAL  39          HG12      VAL  39  -2.136   3.763  -6.753
  320   HG13  VAL  39          HG13      VAL  39  -2.092   4.171  -8.478
  321   HG21  VAL  39          HG21      VAL  39  -1.522   6.600  -9.055
  322   HG22  VAL  39          HG22      VAL  39  -0.652   7.555  -7.860
  323   HG23  VAL  39          HG23      VAL  39  -2.397   7.336  -7.712
  324    H    ALA  40           HN       ALA  40  -3.566   5.387  -4.889
  325    HA   ALA  40           HA       ALA  40  -2.795   2.628  -4.166
  326    HB1  ALA  40           HB1      ALA  40  -4.935   4.332  -2.867
  327    HB2  ALA  40           HB2      ALA  40  -3.388   3.886  -2.146
  328    HB3  ALA  40           HB3      ALA  40  -4.593   2.644  -2.489
  329    H    HIS  41           HN       HIS  41  -3.267   1.872  -6.204
  330    HA   HIS  41           HA       HIS  41  -5.928   2.170  -7.315
  331    HB2  HIS  41           HB2      HIS  41  -4.036   2.018  -8.847
  332    HB3  HIS  41           HB1      HIS  41  -3.554   0.485  -8.147
  333    HD1  HIS  41           HD1      HIS  41  -4.043  -1.324  -9.749
  334    HD2  HIS  41           HD2      HIS  41  -6.986   1.610  -9.795
  335    HE1  HIS  41           HE1      HIS  41  -5.753  -2.111 -11.412
  336    HE2  HIS  41           HE2      HIS  41  -7.460  -0.262 -11.514
  337    H    VAL  42           HN       VAL  42  -7.386   1.234  -5.940
  338    HA   VAL  42           HA       VAL  42  -6.820  -1.505  -4.964
  339    HB   VAL  42           HB       VAL  42  -7.739   1.032  -3.700
  340   HG11  VAL  42          HG11      VAL  42  -8.556  -1.677  -2.735
  341   HG12  VAL  42          HG12      VAL  42  -9.620  -0.467  -3.454
  342   HG13  VAL  42          HG13      VAL  42  -8.833  -0.143  -1.907
  343   HG21  VAL  42          HG21      VAL  42  -6.128  -1.331  -2.807
  344   HG22  VAL  42          HG22      VAL  42  -6.386   0.132  -1.851
  345   HG23  VAL  42          HG23      VAL  42  -5.472   0.217  -3.367
  346    H    LYS  43           HN       LYS  43  -8.546  -2.790  -4.741
  347    HA   LYS  43           HA       LYS  43 -11.146  -2.004  -5.863
  348    HB2  LYS  43           HB2      LYS  43 -10.079  -2.824  -7.840
  349    HB3  LYS  43           HB1      LYS  43  -9.370  -4.184  -6.990
  350    HG2  LYS  43           HG2      LYS  43 -11.480  -5.269  -6.794
  351    HG3  LYS  43           HG1      LYS  43 -12.333  -3.831  -7.356
  352    HD2  LYS  43           HD2      LYS  43 -10.342  -5.338  -9.039
  353    HD3  LYS  43           HD1      LYS  43 -12.072  -5.678  -9.048
  354    HE2  LYS  43           HE2      LYS  43 -10.753  -3.065  -9.767
  355    HE3  LYS  43           HE1      LYS  43 -11.494  -4.204 -10.887
  356    HZ1  LYS  43           HZ1      LYS  43 -12.877  -2.616  -8.792
  357    HZ2  LYS  43           HZ2      LYS  43 -13.624  -3.819  -9.713
  358    HZ3  LYS  43           HZ3      LYS  43 -13.019  -2.434 -10.469
  359    H    VAL  44           HN       VAL  44 -12.789  -3.369  -5.218
  360    HA   VAL  44           HA       VAL  44 -12.183  -5.531  -3.359
  361    HB   VAL  44           HB       VAL  44 -12.495  -3.304  -2.100
  362   HG11  VAL  44          HG11      VAL  44 -14.809  -2.574  -1.832
  363   HG12  VAL  44          HG12      VAL  44 -15.305  -3.804  -3.005
  364   HG13  VAL  44          HG13      VAL  44 -14.274  -2.458  -3.516
  365   HG21  VAL  44          HG21      VAL  44 -14.421  -5.543  -1.489
  366   HG22  VAL  44          HG22      VAL  44 -13.860  -4.313  -0.356
  367   HG23  VAL  44          HG23      VAL  44 -12.726  -5.491  -1.013
  368    H    LYS  45           HN       LYS  45 -14.126  -6.786  -2.986
  369    HA   LYS  45           HA       LYS  45 -16.423  -6.492  -4.683
  370    HB2  LYS  45           HB2      LYS  45 -14.349  -8.624  -5.221
  371    HB3  LYS  45           HB1      LYS  45 -16.032  -8.839  -5.675
  372    HG2  LYS  45           HG2      LYS  45 -15.877  -6.848  -7.107
  373    HG3  LYS  45           HG1      LYS  45 -14.172  -6.691  -6.675
  374    HD2  LYS  45           HD2      LYS  45 -13.724  -8.890  -7.642
  375    HD3  LYS  45           HD1      LYS  45 -15.431  -9.069  -8.048
  376    HE2  LYS  45           HE2      LYS  45 -15.258  -7.074  -9.493
  377    HE3  LYS  45           HE1      LYS  45 -13.537  -6.990  -9.132
  378    HZ1  LYS  45           HZ1      LYS  45 -13.940  -8.094 -11.236
  379    HZ2  LYS  45           HZ2      LYS  45 -14.910  -9.253 -10.477
  380    HZ3  LYS  45           HZ3      LYS  45 -13.257  -9.175 -10.126
  381    H    THR  46           HN       THR  46 -17.989  -7.040  -3.270
  382    HA   THR  46           HA       THR  46 -17.656  -9.537  -1.807
  383    HB   THR  46           HB       THR  46 -16.922  -7.958  -0.171
  384    HG1  THR  46           HG1      THR  46 -18.266  -8.565   1.426
  385   HG21  THR  46          HG21      THR  46 -17.834  -5.907  -1.082
  386   HG22  THR  46          HG22      THR  46 -18.328  -6.089   0.601
  387   HG23  THR  46          HG23      THR  46 -19.472  -6.434  -0.697
  388    H    TYR  47           HN       TYR  47 -19.200 -10.603  -2.882
  389    HA   TYR  47           HA       TYR  47 -21.901  -9.454  -2.854
  390    HB2  TYR  47           HB2      TYR  47 -20.813 -11.811  -4.420
  391    HB3  TYR  47           HB1      TYR  47 -22.454 -11.177  -4.533
  392    HD1  TYR  47           HD1      TYR  47 -22.925  -9.181  -5.790
  393    HD2  TYR  47           HD2      TYR  47 -18.914 -10.511  -5.305
  394    HE1  TYR  47           HE1      TYR  47 -22.197  -7.602  -7.530
  395    HE2  TYR  47           HE2      TYR  47 -18.175  -8.937  -7.041
  396    HH   TYR  47           HH       TYR  47 -20.142  -6.432  -8.211
  397    H    SER  48           HN       SER  48 -21.585  -9.893  -0.533
  398    HA   SER  48           HA       SER  48 -23.177 -12.009   0.368
  399    HB2  SER  48           HB2      SER  48 -20.198 -12.346   0.829
  400    HB3  SER  48           HB1      SER  48 -21.416 -13.131   1.826
  401    HG   SER  48           HG       SER  48 -21.823 -13.496  -0.856
  402    H    ASN  49           HN       ASN  49 -22.642 -12.077   3.024
  403    HA   ASN  49           HA       ASN  49 -22.978  -9.276   3.722
  404    HB2  ASN  49           HB2      ASN  49 -24.547 -10.850   4.678
  405    HB3  ASN  49           HB1      ASN  49 -23.235 -11.786   5.381
  406   HD21  ASN  49          HD21      ASN  49 -25.105  -8.869   5.590
  407   HD22  ASN  49          HD22      ASN  49 -24.593  -8.415   7.179
  408    H    SER  50           HN       SER  50 -20.741 -11.917   4.519
  409    HA   SER  50           HA       SER  50 -19.204 -10.008   6.112
  410    HB2  SER  50           HB2      SER  50 -20.243 -12.008   7.286
  411    HB3  SER  50           HB1      SER  50 -19.094 -13.006   6.397
  412    HG   SER  50           HG       SER  50 -17.410 -12.033   7.459
  413    H    ALA  51           HN       ALA  51 -19.098 -10.878   3.216
  414    HA   ALA  51           HA       ALA  51 -16.463 -12.087   2.976
  415    HB1  ALA  51           HB1      ALA  51 -18.617 -11.370   1.071
  416    HB2  ALA  51           HB2      ALA  51 -17.699 -12.875   1.220
  417    HB3  ALA  51           HB3      ALA  51 -16.957 -11.441   0.474
  418    H    THR  52           HN       THR  52 -14.759 -11.137   1.792
  419    HA   THR  52           HA       THR  52 -15.219  -8.798   0.446
  420    HB   THR  52           HB       THR  52 -13.072  -8.675   2.571
  421    HG1  THR  52           HG1      THR  52 -15.368  -8.141   3.110
  422   HG21  THR  52          HG21      THR  52 -13.737  -6.840   0.292
  423   HG22  THR  52          HG22      THR  52 -12.203  -7.639   0.641
  424   HG23  THR  52          HG23      THR  52 -12.779  -6.337   1.676
  425    H    LYS  53           HN       LYS  53 -14.128  -8.860  -1.452
  426    HA   LYS  53           HA       LYS  53 -11.528 -10.221  -1.420
  427    HB2  LYS  53           HB2      LYS  53 -13.200 -11.478  -2.768
  428    HB3  LYS  53           HB1      LYS  53 -13.457 -10.045  -3.749
  429    HG2  LYS  53           HG2      LYS  53 -11.147 -10.142  -4.520
  430    HG3  LYS  53           HG1      LYS  53 -10.866 -11.562  -3.513
  431    HD2  LYS  53           HD2      LYS  53 -11.259 -12.246  -5.801
  432    HD3  LYS  53           HD1      LYS  53 -12.601 -12.772  -4.784
  433    HE2  LYS  53           HE2      LYS  53 -13.926 -10.865  -5.539
  434    HE3  LYS  53           HE1      LYS  53 -12.581 -10.317  -6.536
  435    HZ1  LYS  53           HZ1      LYS  53 -14.248 -11.523  -7.818
  436    HZ2  LYS  53           HZ2      LYS  53 -14.010 -12.898  -6.867
  437    HZ3  LYS  53           HZ3      LYS  53 -12.757 -12.320  -7.846
  438    H    ILE  54           HN       ILE  54  -9.889  -8.984  -1.811
  439    HA   ILE  54           HA       ILE  54 -10.446  -6.284  -2.811
  440    HB   ILE  54           HB       ILE  54  -8.402  -5.688  -1.334
  441   HG12  ILE  54          HG12      ILE  54  -8.110  -8.218  -0.755
  442   HG13  ILE  54          HG11      ILE  54  -7.877  -7.005   0.494
  443   HG21  ILE  54          HG21      ILE  54 -11.123  -6.296  -0.287
  444   HG22  ILE  54          HG22      ILE  54 -10.581  -4.830  -1.133
  445   HG23  ILE  54          HG23      ILE  54  -9.954  -5.207   0.482
  446   HD11  ILE  54          HD11      ILE  54 -10.115  -7.458   1.351
  447   HD12  ILE  54          HD12      ILE  54  -9.121  -8.914   1.326
  448   HD13  ILE  54          HD13      ILE  54 -10.354  -8.666   0.090
  449    H    GLU  55           HN       GLU  55  -8.665  -5.121  -3.671
  450    HA   GLU  55           HA       GLU  55  -6.325  -6.642  -4.443
  451    HB2  GLU  55           HB2      GLU  55  -8.403  -5.588  -6.306
  452    HB3  GLU  55           HB1      GLU  55  -6.716  -5.551  -6.744
  453    HG2  GLU  55           HG2      GLU  55  -6.601  -7.980  -6.488
  454    HG3  GLU  55           HG1      GLU  55  -8.309  -7.997  -6.057
  455    H    VAL  56           HN       VAL  56  -4.916  -5.270  -3.611
  456    HA   VAL  56           HA       VAL  56  -5.281  -2.379  -4.043
  457    HB   VAL  56           HB       VAL  56  -4.665  -2.302  -1.803
  458   HG11  VAL  56          HG11      VAL  56  -3.561  -5.011  -2.237
  459   HG12  VAL  56          HG12      VAL  56  -5.132  -4.590  -1.561
  460   HG13  VAL  56          HG13      VAL  56  -3.657  -4.189  -0.686
  461   HG21  VAL  56          HG21      VAL  56  -1.910  -3.218  -2.742
  462   HG22  VAL  56          HG22      VAL  56  -2.283  -2.159  -1.389
  463   HG23  VAL  56          HG23      VAL  56  -2.524  -1.591  -3.034
  464    H    THR  57           HN       THR  57  -3.813  -1.317  -5.119
  465    HA   THR  57           HA       THR  57  -1.170  -2.495  -5.683
  466    HB   THR  57           HB       THR  57  -2.751  -1.237  -7.970
  467    HG1  THR  57           HG1      THR  57  -3.566  -3.386  -7.046
  468   HG21  THR  57          HG21      THR  57  -1.044  -2.320  -9.351
  469   HG22  THR  57          HG22      THR  57  -0.297  -2.994  -7.906
  470   HG23  THR  57          HG23      THR  57  -0.313  -1.250  -8.157
  471    H    ILE  58           HN       ILE  58  -0.061  -0.931  -4.767
  472    HA   ILE  58           HA       ILE  58  -1.046   1.871  -4.843
  473    HB   ILE  58           HB       ILE  58   0.077   0.046  -2.728
  474   HG12  ILE  58          HG12      ILE  58  -2.180   2.045  -2.619
  475   HG13  ILE  58          HG11      ILE  58  -2.374   0.345  -3.023
  476   HG21  ILE  58          HG21      ILE  58   0.110   3.073  -2.558
  477   HG22  ILE  58          HG22      ILE  58   1.516   2.007  -2.558
  478   HG23  ILE  58          HG23      ILE  58   0.391   1.982  -1.201
  479   HD11  ILE  58          HD11      ILE  58  -2.972   0.774  -0.717
  480   HD12  ILE  58          HD12      ILE  58  -1.378   1.464  -0.413
  481   HD13  ILE  58          HD13      ILE  58  -1.538  -0.248  -0.798
  482    HA   PRO  59           HA       PRO  59   3.241   2.087  -6.715
  483    HB2  PRO  59           HB2      PRO  59   1.853   4.346  -8.077
  484    HB3  PRO  59           HB1      PRO  59   2.867   3.061  -8.768
  485    HG2  PRO  59           HG2      PRO  59   0.243   3.034  -9.136
  486    HG3  PRO  59           HG1      PRO  59   1.111   1.523  -8.786
  487    HD2  PRO  59           HD2      PRO  59  -0.446   3.276  -6.912
  488    HD3  PRO  59           HD1      PRO  59  -0.534   1.514  -7.114
  489    H    LEU  60           HN       LEU  60   4.136   2.878  -4.758
  490    HA   LEU  60           HA       LEU  60   3.801   5.724  -4.195
  491    HB2  LEU  60           HB2      LEU  60   4.833   3.418  -2.745
  492    HB3  LEU  60           HB1      LEU  60   5.963   4.758  -2.702
  493    HG   LEU  60           HG       LEU  60   4.145   6.212  -1.816
  494   HD11  LEU  60          HD11      LEU  60   2.245   4.945  -2.695
  495   HD12  LEU  60          HD12      LEU  60   2.120   5.197  -0.953
  496   HD13  LEU  60          HD13      LEU  60   2.619   3.627  -1.585
  497   HD21  LEU  60          HD21      LEU  60   4.173   5.267   0.438
  498   HD22  LEU  60          HD22      LEU  60   5.761   5.174  -0.321
  499   HD23  LEU  60          HD23      LEU  60   4.752   3.733  -0.211
  500    H    LYS  61           HN       LYS  61   6.165   6.776  -3.717
  501    HA   LYS  61           HA       LYS  61   7.429   7.229  -6.160
  502    HB2  LYS  61           HB2      LYS  61   8.864   7.214  -3.549
  503    HB3  LYS  61           HB1      LYS  61   9.101   8.318  -4.900
  504    HG2  LYS  61           HG2      LYS  61   6.875   9.309  -4.394
  505    HG3  LYS  61           HG1      LYS  61   6.812   8.305  -2.945
  506    HD2  LYS  61           HD2      LYS  61   8.945  10.347  -3.576
  507    HD3  LYS  61           HD1      LYS  61   7.600  10.587  -2.461
  508    HE2  LYS  61           HE2      LYS  61   8.430   8.859  -1.006
  509    HE3  LYS  61           HE1      LYS  61   9.691   8.435  -2.162
  510    HZ1  LYS  61           HZ1      LYS  61   9.469  11.055  -0.781
  511    HZ2  LYS  61           HZ2      LYS  61  10.706  10.581  -1.829
  512    HZ3  LYS  61           HZ3      LYS  61  10.526   9.811  -0.334
  513    H    ASN  62           HN       ASN  62   8.327   5.349  -3.378
  514    HA   ASN  62           HA       ASN  62  10.752   4.539  -4.471
  515    HB2  ASN  62           HB2      ASN  62  10.508   5.000  -2.129
  516    HB3  ASN  62           HB1      ASN  62   9.393   3.671  -2.035
  517   HD21  ASN  62          HD21      ASN  62  12.368   3.678  -3.867
  518   HD22  ASN  62          HD22      ASN  62  13.160   2.467  -2.923
  519    H    VAL  63           HN       VAL  63   7.864   2.795  -3.465
  520    HA   VAL  63           HA       VAL  63   8.482   0.650  -5.356
  521    HB   VAL  63           HB       VAL  63   9.308   0.029  -3.132
  522   HG11  VAL  63          HG11      VAL  63   7.839   1.281  -1.718
  523   HG12  VAL  63          HG12      VAL  63   7.694  -0.430  -1.311
  524   HG13  VAL  63          HG13      VAL  63   6.446   0.358  -2.278
  525   HG21  VAL  63          HG21      VAL  63   6.928  -1.569  -4.049
  526   HG22  VAL  63          HG22      VAL  63   8.159  -2.145  -2.926
  527   HG23  VAL  63          HG23      VAL  63   8.597  -1.755  -4.588
  528    H    THR  64           HN       THR  64   6.689  -0.587  -6.003
  529    HA   THR  64           HA       THR  64   4.062   0.677  -5.540
  530    HB   THR  64           HB       THR  64   5.006  -1.051  -7.843
  531    HG1  THR  64           HG1      THR  64   5.552   1.375  -7.538
  532   HG21  THR  64          HG21      THR  64   2.655  -1.458  -7.404
  533   HG22  THR  64          HG22      THR  64   2.825  -0.492  -8.869
  534   HG23  THR  64          HG23      THR  64   2.334   0.274  -7.360
  535    H    LEU  65           HN       LEU  65   3.027  -0.453  -3.938
  536    HA   LEU  65           HA       LEU  65   3.475  -3.316  -3.717
  537    HB2  LEU  65           HB2      LEU  65   1.830  -1.426  -2.035
  538    HB3  LEU  65           HB1      LEU  65   1.800  -3.164  -1.832
  539    HG   LEU  65           HG       LEU  65   4.436  -2.892  -1.685
  540   HD11  LEU  65          HD11      LEU  65   5.140  -0.885  -0.501
  541   HD12  LEU  65          HD12      LEU  65   3.498  -0.232  -0.625
  542   HD13  LEU  65          HD13      LEU  65   4.458  -0.474  -2.082
  543   HD21  LEU  65          HD21      LEU  65   2.969  -3.877  -0.004
  544   HD22  LEU  65          HD22      LEU  65   2.607  -2.266   0.614
  545   HD23  LEU  65          HD23      LEU  65   4.248  -2.902   0.716
  546    H    ARG  66           HN       ARG  66   1.633  -4.739  -3.413
  547    HA   ARG  66           HA       ARG  66  -0.928  -3.979  -4.407
  548    HB2  ARG  66           HB2      ARG  66   0.416  -4.233  -6.494
  549    HB3  ARG  66           HB1      ARG  66   0.737  -5.837  -5.998
  550    HG2  ARG  66           HG2      ARG  66  -1.993  -4.875  -6.647
  551    HG3  ARG  66           HG1      ARG  66  -0.923  -5.650  -7.810
  552    HD2  ARG  66           HD2      ARG  66  -0.827  -7.591  -6.151
  553    HD3  ARG  66           HD1      ARG  66  -2.205  -6.824  -5.365
  554    HE   ARG  66           HE       ARG  66  -2.281  -8.435  -7.666
  555   HH11  ARG  66          HH11      ARG  66  -3.666  -5.454  -6.456
  556   HH12  ARG  66          HH12      ARG  66  -5.131  -5.624  -7.368
  557   HH21  ARG  66          HH21      ARG  66  -4.213  -8.684  -8.816
  558   HH22  ARG  66          HH22      ARG  66  -5.468  -7.481  -8.691
  559    H    ALA  67           HN       ALA  67  -2.398  -5.365  -3.699
  560    HA   ALA  67           HA       ALA  67  -1.617  -8.003  -2.718
  561    HB1  ALA  67           HB1      ALA  67  -2.925  -6.006  -0.847
  562    HB2  ALA  67           HB2      ALA  67  -1.286  -6.640  -0.726
  563    HB3  ALA  67           HB3      ALA  67  -2.661  -7.719  -0.514
  564    H    GLU  68           HN       GLU  68  -2.986  -9.336  -3.615
  565    HA   GLU  68           HA       GLU  68  -5.798  -8.491  -3.874
  566    HB2  GLU  68           HB2      GLU  68  -5.907 -10.254  -5.695
  567    HB3  GLU  68           HB1      GLU  68  -4.953  -8.828  -6.067
  568    HG2  GLU  68           HG2      GLU  68  -2.911 -10.030  -5.660
  569    HG3  GLU  68           HG1      GLU  68  -3.817 -11.453  -5.149
  570    H    GLU  69           HN       GLU  69  -7.052  -9.454  -2.397
  571    HA   GLU  69           HA       GLU  69  -6.455 -12.197  -1.593
  572    HB2  GLU  69           HB2      GLU  69  -5.223 -10.654  -0.059
  573    HB3  GLU  69           HB1      GLU  69  -6.765  -9.959   0.416
  574    HG2  GLU  69           HG2      GLU  69  -5.855 -11.632   2.008
  575    HG3  GLU  69           HG1      GLU  69  -7.469 -12.009   1.407
  576    H    ARG  70           HN       ARG  70  -8.184 -13.228  -0.451
  577    HA   ARG  70           HA       ARG  70 -10.779 -11.857  -0.660
  578    HB2  ARG  70           HB2      ARG  70 -10.503 -13.467  -2.529
  579    HB3  ARG  70           HB1      ARG  70 -10.234 -14.752  -1.360
  580    HG2  ARG  70           HG2      ARG  70 -12.483 -14.464  -0.495
  581    HG3  ARG  70           HG1      ARG  70 -12.758 -13.133  -1.619
  582    HD2  ARG  70           HD2      ARG  70 -12.455 -14.658  -3.502
  583    HD3  ARG  70           HD1      ARG  70 -12.157 -15.987  -2.380
  584    HE   ARG  70           HE       ARG  70 -14.626 -14.819  -1.761
  585   HH11  ARG  70          HH11      ARG  70 -13.145 -16.723  -4.295
  586   HH12  ARG  70          HH12      ARG  70 -14.629 -17.495  -4.753
  587   HH21  ARG  70          HH21      ARG  70 -16.576 -15.831  -2.354
  588   HH22  ARG  70          HH22      ARG  70 -16.587 -16.982  -3.652
  589    H    ASN  71           HN       ASN  71 -10.749 -11.403   1.534
  590    HA   ASN  71           HA       ASN  71 -10.791 -13.736   3.328
  591    HB2  ASN  71           HB2      ASN  71  -9.778 -12.208   5.071
  592    HB3  ASN  71           HB1      ASN  71  -8.718 -12.565   3.737
  593   HD21  ASN  71          HD21      ASN  71  -7.640 -10.877   4.617
  594   HD22  ASN  71          HD22      ASN  71  -8.074  -9.309   4.165
  595    H    ASP  72           HN       ASP  72 -11.444 -12.234   5.658
  596    HA   ASP  72           HA       ASP  72 -14.280 -11.889   5.163
  597    HB2  ASP  72           HB2      ASP  72 -13.369 -13.148   7.141
  598    HB3  ASP  72           HB1      ASP  72 -12.761 -11.620   7.766
  599    H    ASP  73           HN       ASP  73 -11.582  -9.976   6.416
  600    HA   ASP  73           HA       ASP  73 -13.212  -7.515   6.237
  601    HB2  ASP  73           HB2      ASP  73 -10.813  -8.285   7.889
  602    HB3  ASP  73           HB1      ASP  73 -11.239  -6.605   7.624
  603    H    LEU  74           HN       LEU  74 -13.093  -6.715   4.486
  604    HA   LEU  74           HA       LEU  74 -11.333  -6.040   2.665
  605    HB2  LEU  74           HB2      LEU  74 -13.465  -4.995   2.809
  606    HB3  LEU  74           HB1      LEU  74 -13.107  -4.487   4.460
  607    HG   LEU  74           HG       LEU  74 -11.751  -2.683   3.718
  608   HD11  LEU  74          HD11      LEU  74 -11.419  -2.286   1.248
  609   HD12  LEU  74          HD12      LEU  74 -11.910  -3.967   1.014
  610   HD13  LEU  74          HD13      LEU  74 -10.481  -3.586   1.983
  611   HD21  LEU  74          HD21      LEU  74 -14.143  -2.270   3.615
  612   HD22  LEU  74          HD22      LEU  74 -14.187  -2.852   1.952
  613   HD23  LEU  74          HD23      LEU  74 -13.299  -1.381   2.348
  614    H    TYR  75           HN       TYR  75 -11.528  -4.701   5.867
  615    HA   TYR  75           HA       TYR  75  -9.593  -2.753   5.412
  616    HB2  TYR  75           HB2      TYR  75 -11.039  -3.694   7.873
  617    HB3  TYR  75           HB1      TYR  75  -9.714  -2.544   7.993
  618    HD1  TYR  75           HD1      TYR  75 -12.823  -2.676   8.348
  619    HD2  TYR  75           HD2      TYR  75 -10.046  -0.971   5.700
  620    HE1  TYR  75           HE1      TYR  75 -14.347  -0.928   7.906
  621    HE2  TYR  75           HE2      TYR  75 -11.552   0.794   5.227
  622    HH   TYR  75           HH       TYR  75 -14.318   1.456   7.102
  623    H    ALA  76           HN       ALA  76  -9.594  -6.006   6.244
  624    HA   ALA  76           HA       ALA  76  -7.036  -6.117   7.593
  625    HB1  ALA  76           HB1      ALA  76  -8.938  -7.615   8.176
  626    HB2  ALA  76           HB2      ALA  76  -7.465  -8.480   7.727
  627    HB3  ALA  76           HB3      ALA  76  -8.791  -8.331   6.566
  628    H    GLY  77           HN       GLY  77  -8.541  -6.789   4.488
  629    HA2  GLY  77           HA2      GLY  77  -6.279  -7.999   3.269
  630    HA3  GLY  77           HA1      GLY  77  -7.630  -7.204   2.458
  631    H    ILE  78           HN       ILE  78  -7.581  -4.702   3.164
  632    HA   ILE  78           HA       ILE  78  -5.352  -3.631   1.901
  633    HB   ILE  78           HB       ILE  78  -7.510  -2.274   3.536
  634   HG12  ILE  78          HG12      ILE  78  -7.093  -2.639   0.560
  635   HG13  ILE  78          HG11      ILE  78  -8.345  -3.390   1.543
  636   HG21  ILE  78          HG21      ILE  78  -5.503  -0.876   3.469
  637   HG22  ILE  78          HG22      ILE  78  -6.791  -0.185   2.484
  638   HG23  ILE  78          HG23      ILE  78  -5.449  -1.029   1.713
  639   HD11  ILE  78          HD11      ILE  78  -9.239  -1.550   0.246
  640   HD12  ILE  78          HD12      ILE  78  -8.070  -0.448   0.975
  641   HD13  ILE  78          HD13      ILE  78  -9.320  -1.191   1.972
  642    H    ASP  79           HN       ASP  79  -6.090  -4.274   5.337
  643    HA   ASP  79           HA       ASP  79  -3.784  -2.870   6.427
  644    HB2  ASP  79           HB2      ASP  79  -5.770  -3.632   7.796
  645    HB3  ASP  79           HB1      ASP  79  -5.185  -5.280   7.601
  646    H    LEU  80           HN       LEU  80  -4.325  -6.228   5.377
  647    HA   LEU  80           HA       LEU  80  -1.751  -7.107   5.871
  648    HB2  LEU  80           HB2      LEU  80  -3.524  -7.698   3.490
  649    HB3  LEU  80           HB1      LEU  80  -2.018  -8.533   3.804
  650    HG   LEU  80           HG       LEU  80  -4.446  -8.576   5.596
  651   HD11  LEU  80          HD11      LEU  80  -4.630 -10.919   4.888
  652   HD12  LEU  80          HD12      LEU  80  -3.310 -10.666   3.747
  653   HD13  LEU  80          HD13      LEU  80  -4.831  -9.799   3.542
  654   HD21  LEU  80          HD21      LEU  80  -2.387  -8.798   6.869
  655   HD22  LEU  80          HD22      LEU  80  -1.832 -10.067   5.781
  656   HD23  LEU  80          HD23      LEU  80  -3.242 -10.339   6.804
  657    H    ILE  81           HN       ILE  81  -2.982  -5.573   2.853
  658    HA   ILE  81           HA       ILE  81  -0.387  -5.146   1.881
  659    HB   ILE  81           HB       ILE  81  -2.702  -4.886   0.711
  660   HG12  ILE  81          HG12      ILE  81  -0.296  -4.786  -0.171
  661   HG13  ILE  81          HG11      ILE  81  -1.528  -3.987  -1.132
  662   HG21  ILE  81          HG21      ILE  81  -2.071  -2.016   1.376
  663   HG22  ILE  81          HG22      ILE  81  -3.441  -2.935   1.996
  664   HG23  ILE  81          HG23      ILE  81  -3.326  -2.578   0.273
  665   HD11  ILE  81          HD11      ILE  81   0.230  -2.482  -1.127
  666   HD12  ILE  81          HD12      ILE  81   0.614  -2.788   0.564
  667   HD13  ILE  81          HD13      ILE  81  -0.825  -1.862   0.142
  668    H    ASN  82           HN       ASN  82  -2.314  -2.983   3.967
  669    HA   ASN  82           HA       ASN  82  -0.628  -0.721   3.510
  670    HB2  ASN  82           HB2      ASN  82  -3.062  -0.672   4.248
  671    HB3  ASN  82           HB1      ASN  82  -2.496  -1.125   5.848
  672   HD21  ASN  82          HD21      ASN  82  -2.763   1.386   3.522
  673   HD22  ASN  82          HD22      ASN  82  -2.165   2.663   4.516
  674    H    ASN  83           HN       ASN  83  -0.806  -3.237   5.881
  675    HA   ASN  83           HA       ASN  83   1.069  -1.971   7.672
  676    HB2  ASN  83           HB2      ASN  83   0.062  -3.372   9.108
  677    HB3  ASN  83           HB1      ASN  83  -0.956  -3.918   7.745
  678   HD21  ASN  83          HD21      ASN  83  -0.550  -5.889   6.844
  679   HD22  ASN  83          HD22      ASN  83   0.540  -7.052   7.518
  680    H    LYS  84           HN       LYS  84   0.992  -4.681   5.376
  681    HA   LYS  84           HA       LYS  84   3.803  -5.181   5.492
  682    HB2  LYS  84           HB2      LYS  84   1.803  -5.673   3.282
  683    HB3  LYS  84           HB1      LYS  84   3.488  -6.163   3.186
  684    HG2  LYS  84           HG2      LYS  84   1.533  -7.094   5.281
  685    HG3  LYS  84           HG1      LYS  84   1.983  -7.995   3.833
  686    HD2  LYS  84           HD2      LYS  84   4.315  -8.039   4.595
  687    HD3  LYS  84           HD1      LYS  84   3.849  -7.154   6.050
  688    HE2  LYS  84           HE2      LYS  84   4.032  -9.545   6.501
  689    HE3  LYS  84           HE1      LYS  84   2.373  -8.985   6.698
  690    HZ1  LYS  84           HZ1      LYS  84   1.885  -9.839   4.473
  691    HZ2  LYS  84           HZ2      LYS  84   2.409 -11.061   5.510
  692    HZ3  LYS  84           HZ3      LYS  84   3.462 -10.433   4.346
  693    H    LEU  85           HN       LEU  85   1.838  -2.777   3.990
  694    HA   LEU  85           HA       LEU  85   3.710  -1.731   2.166
  695    HB2  LEU  85           HB2      LEU  85   1.322  -1.122   2.128
  696    HB3  LEU  85           HB1      LEU  85   1.499  -0.315   3.669
  697    HG   LEU  85           HG       LEU  85   3.157   0.623   1.364
  698   HD11  LEU  85          HD11      LEU  85   0.253   1.296   1.809
  699   HD12  LEU  85          HD12      LEU  85   0.925   0.428   0.429
  700   HD13  LEU  85          HD13      LEU  85   1.336   2.123   0.690
  701   HD21  LEU  85          HD21      LEU  85   1.817   2.012   3.687
  702   HD22  LEU  85          HD22      LEU  85   2.836   2.789   2.476
  703   HD23  LEU  85          HD23      LEU  85   3.527   1.594   3.574
  704    H    GLU  86           HN       GLU  86   2.804  -0.622   5.429
  705    HA   GLU  86           HA       GLU  86   4.825   1.184   5.827
  706    HB2  GLU  86           HB2      GLU  86   2.973   0.576   7.451
  707    HB3  GLU  86           HB1      GLU  86   3.950  -0.808   7.921
  708    HG2  GLU  86           HG2      GLU  86   5.792   0.764   8.508
  709    HG3  GLU  86           HG1      GLU  86   4.676   2.095   8.213
  710    H    ARG  87           HN       ARG  87   4.888  -2.342   6.377
  711    HA   ARG  87           HA       ARG  87   7.544  -2.433   7.282
  712    HB2  ARG  87           HB2      ARG  87   5.815  -4.135   7.634
  713    HB3  ARG  87           HB1      ARG  87   6.053  -4.569   5.973
  714    HG2  ARG  87           HG2      ARG  87   8.268  -5.322   6.364
  715    HG3  ARG  87           HG1      ARG  87   8.248  -4.647   7.995
  716    HD2  ARG  87           HD2      ARG  87   6.630  -6.963   6.952
  717    HD3  ARG  87           HD1      ARG  87   7.914  -7.013   8.162
  718    HE   ARG  87           HE       ARG  87   6.096  -5.303   9.229
  719   HH11  ARG  87          HH11      ARG  87   5.955  -8.599   8.061
  720   HH12  ARG  87          HH12      ARG  87   4.587  -9.019   9.044
  721   HH21  ARG  87          HH21      ARG  87   4.294  -5.845  10.508
  722   HH22  ARG  87          HH22      ARG  87   3.639  -7.450  10.435
  723    H    GLN  88           HN       GLN  88   6.242  -2.606   4.027
  724    HA   GLN  88           HA       GLN  88   8.689  -3.777   2.965
  725    HB2  GLN  88           HB2      GLN  88   5.957  -3.333   2.047
  726    HB3  GLN  88           HB1      GLN  88   7.172  -3.125   0.809
  727    HG2  GLN  88           HG2      GLN  88   6.692  -5.579   2.492
  728    HG3  GLN  88           HG1      GLN  88   6.311  -5.386   0.782
  729   HE21  GLN  88          HE21      GLN  88   8.803  -5.927   3.121
  730   HE22  GLN  88          HE22      GLN  88  10.060  -6.317   1.997
  731    H    VAL  89           HN       VAL  89   6.658  -1.042   2.455
  732    HA   VAL  89           HA       VAL  89   8.155   0.631   0.988
  733    HB   VAL  89           HB       VAL  89   6.204   1.050   3.178
  734   HG11  VAL  89          HG11      VAL  89   6.242   3.498   2.780
  735   HG12  VAL  89          HG12      VAL  89   7.659   3.300   1.750
  736   HG13  VAL  89          HG13      VAL  89   7.761   2.924   3.468
  737   HG21  VAL  89          HG21      VAL  89   5.366   0.421   1.017
  738   HG22  VAL  89          HG22      VAL  89   6.252   1.730   0.238
  739   HG23  VAL  89          HG23      VAL  89   4.919   2.096   1.332
  740    H    ARG  90           HN       ARG  90   8.218   0.354   4.504
  741    HA   ARG  90           HA       ARG  90  10.334   2.231   4.815
  742    HB2  ARG  90           HB2      ARG  90  10.545   1.619   7.090
  743    HB3  ARG  90           HB1      ARG  90   8.823   1.607   6.711
  744    HG2  ARG  90           HG2      ARG  90   8.997  -0.880   6.453
  745    HG3  ARG  90           HG1      ARG  90  10.651  -0.763   7.055
  746    HD2  ARG  90           HD2      ARG  90   8.198   0.167   8.544
  747    HD3  ARG  90           HD1      ARG  90   9.008  -1.376   8.801
  748    HE   ARG  90           HE       ARG  90  10.827   0.789   9.080
  749   HH11  ARG  90          HH11      ARG  90   8.224  -0.889  10.711
  750   HH12  ARG  90          HH12      ARG  90   8.779  -0.475  12.302
  751   HH21  ARG  90          HH21      ARG  90  11.558   1.352  11.183
  752   HH22  ARG  90          HH22      ARG  90  10.662   0.814  12.568
  753    H    LYS  91           HN       LYS  91  10.330  -1.324   4.541
  754    HA   LYS  91           HA       LYS  91  13.005  -1.679   5.140
  755    HB2  LYS  91           HB2      LYS  91  11.095  -3.160   3.630
  756    HB3  LYS  91           HB1      LYS  91  12.752  -3.654   3.486
  757    HG2  LYS  91           HG2      LYS  91  12.793  -3.874   5.963
  758    HG3  LYS  91           HG1      LYS  91  11.063  -3.528   5.978
  759    HD2  LYS  91           HD2      LYS  91  11.258  -5.884   6.053
  760    HD3  LYS  91           HD1      LYS  91  10.791  -5.486   4.401
  761    HE2  LYS  91           HE2      LYS  91  12.525  -7.166   4.369
  762    HE3  LYS  91           HE1      LYS  91  13.156  -5.655   3.722
  763    HZ1  LYS  91           HZ1      LYS  91  14.697  -6.759   5.254
  764    HZ2  LYS  91           HZ2      LYS  91  13.572  -6.600   6.505
  765    HZ3  LYS  91           HZ3      LYS  91  14.251  -5.223   5.801
  766    H    TYR  92           HN       TYR  92  11.385  -0.993   2.150
  767    HA   TYR  92           HA       TYR  92  13.767  -1.185   0.564
  768    HB2  TYR  92           HB2      TYR  92  11.192  -1.397  -0.065
  769    HB3  TYR  92           HB1      TYR  92  11.390   0.314  -0.429
  770    HD1  TYR  92           HD1      TYR  92  11.939   0.855  -2.608
  771    HD2  TYR  92           HD2      TYR  92  13.178  -2.913  -1.071
  772    HE1  TYR  92           HE1      TYR  92  12.883   0.278  -4.802
  773    HE2  TYR  92           HE2      TYR  92  14.127  -3.499  -3.263
  774    HH   TYR  92           HH       TYR  92  14.629  -1.233  -5.713
  775    H    LYS  93           HN       LYS  93  11.788   1.613   1.645
  776    HA   LYS  93           HA       LYS  93  13.502   3.499   0.384
  777    HB2  LYS  93           HB2      LYS  93  12.229   5.224   1.464
  778    HB3  LYS  93           HB1      LYS  93  11.125   3.977   0.909
  779    HG2  LYS  93           HG2      LYS  93  10.864   3.134   3.135
  780    HG3  LYS  93           HG1      LYS  93  12.117   4.222   3.740
  781    HD2  LYS  93           HD2      LYS  93  10.732   6.147   3.146
  782    HD3  LYS  93           HD1      LYS  93   9.486   5.063   2.526
  783    HE2  LYS  93           HE2      LYS  93   8.897   5.823   4.748
  784    HE3  LYS  93           HE1      LYS  93   9.236   4.094   4.771
  785    HZ1  LYS  93           HZ1      LYS  93  11.096   6.242   5.641
  786    HZ2  LYS  93           HZ2      LYS  93  11.445   4.589   5.644
  787    HZ3  LYS  93           HZ3      LYS  93  10.237   5.198   6.656
  788    H    THR  94           HN       THR  94  13.354   2.171   3.639
  789    HA   THR  94           HA       THR  94  15.323   3.978   4.650
  790    HB   THR  94           HB       THR  94  14.088   1.457   5.778
  791    HG1  THR  94           HG1      THR  94  13.857   4.242   6.196
  792   HG21  THR  94          HG21      THR  94  16.423   1.578   6.575
  793   HG22  THR  94          HG22      THR  94  15.273   1.903   7.872
  794   HG23  THR  94          HG23      THR  94  16.146   3.234   7.114
  795    H    ARG  95           HN       ARG  95  15.363   0.714   3.251
  796    HA   ARG  95           HA       ARG  95  18.108   0.226   3.692
  797    HB2  ARG  95           HB2      ARG  95  16.601  -1.557   2.978
  798    HB3  ARG  95           HB1      ARG  95  16.333  -0.743   1.442
  799    HG2  ARG  95           HG2      ARG  95  17.881  -2.596   1.197
  800    HG3  ARG  95           HG1      ARG  95  18.679  -1.060   0.855
  801    HD2  ARG  95           HD2      ARG  95  19.519  -1.082   3.217
  802    HD3  ARG  95           HD1      ARG  95  18.887  -2.721   3.361
  803    HE   ARG  95           HE       ARG  95  20.418  -3.101   1.301
  804   HH11  ARG  95          HH11      ARG  95  21.094  -1.087   4.084
  805   HH12  ARG  95          HH12      ARG  95  22.816  -1.216   3.919
  806   HH21  ARG  95          HH21      ARG  95  22.686  -3.280   1.082
  807   HH22  ARG  95          HH22      ARG  95  23.722  -2.471   2.216
  808    H    ILE  96           HN       ILE  96  16.402   1.711   0.916
  809    HA   ILE  96           HA       ILE  96  18.814   2.220  -0.507
  810    HB   ILE  96           HB       ILE  96  16.548   2.130  -1.583
  811   HG12  ILE  96          HG12      ILE  96  16.992   4.009  -3.173
  812   HG13  ILE  96          HG11      ILE  96  18.236   4.593  -2.074
  813   HG21  ILE  96          HG21      ILE  96  15.374   3.515   0.079
  814   HG22  ILE  96          HG22      ILE  96  15.129   4.076  -1.575
  815   HG23  ILE  96          HG23      ILE  96  16.249   4.927  -0.510
  816   HD11  ILE  96          HD11      ILE  96  19.178   3.327  -3.930
  817   HD12  ILE  96          HD12      ILE  96  18.233   1.917  -3.449
  818   HD13  ILE  96          HD13      ILE  96  19.493   2.540  -2.383
  819    H    ASN  97           HN       ASN  97  17.048   3.977   1.957
  820    HA   ASN  97           HA       ASN  97  18.440   6.433   1.736
  821    HB2  ASN  97           HB2      ASN  97  16.345   5.879   3.149
  822    HB3  ASN  97           HB1      ASN  97  17.480   5.284   4.351
  823   HD21  ASN  97          HD21      ASN  97  19.474   7.380   3.624
  824   HD22  ASN  97          HD22      ASN  97  18.866   8.834   4.342
  825    H    ARG  98           HN       ARG  98  19.066   3.468   3.588
  826    HA   ARG  98           HA       ARG  98  21.447   4.365   4.814
  827    HB2  ARG  98           HB2      ARG  98  20.517   1.574   4.136
  828    HB3  ARG  98           HB1      ARG  98  21.944   1.922   5.101
  829    HG2  ARG  98           HG2      ARG  98  19.126   2.719   5.800
  830    HG3  ARG  98           HG1      ARG  98  20.013   1.356   6.485
  831    HD2  ARG  98           HD2      ARG  98  20.839   4.250   6.686
  832    HD3  ARG  98           HD1      ARG  98  20.027   3.335   7.953
  833    HE   ARG  98           HE       ARG  98  22.204   1.832   7.453
  834   HH11  ARG  98          HH11      ARG  98  21.828   5.260   8.048
  835   HH12  ARG  98          HH12      ARG  98  23.337   5.414   8.887
  836   HH21  ARG  98          HH21      ARG  98  24.197   2.030   8.550
  837   HH22  ARG  98          HH22      ARG  98  24.691   3.574   9.165
  838    H    LYS  99           HN       LYS  99  20.771   3.104   1.653
  839    HA   LYS  99           HA       LYS  99  23.548   2.696   0.979
  840    HB2  LYS  99           HB2      LYS  99  21.735   1.341  -0.026
  841    HB3  LYS  99           HB1      LYS  99  21.100   2.786  -0.800
  842    HG2  LYS  99           HG2      LYS  99  23.153   3.006  -2.097
  843    HG3  LYS  99           HG1      LYS  99  23.809   1.569  -1.311
  844    HD2  LYS  99           HD2      LYS  99  21.320   1.652  -3.018
  845    HD3  LYS  99           HD1      LYS  99  22.901   1.075  -3.544
  846    HE2  LYS  99           HE2      LYS  99  21.235  -0.102  -1.323
  847    HE3  LYS  99           HE1      LYS  99  21.428  -0.777  -2.939
  848    HZ1  LYS  99           HZ1      LYS  99  23.776  -1.074  -2.508
  849    HZ2  LYS  99           HZ2      LYS  99  22.866  -1.862  -1.325
  850    HZ3  LYS  99           HZ3      LYS  99  23.616  -0.390  -0.970
  851    H    SER 100           HN       SER 100  21.368   5.305   1.072
  852    HA   SER 100           HA       SER 100  22.517   6.842  -1.059
  853    HB2  SER 100           HB2      SER 100  20.131   7.049  -0.335
  854    HB3  SER 100           HB1      SER 100  20.692   7.772   1.172
  855    HG   SER 100           HG       SER 100  21.538   8.855  -1.278
  856    H    ARG 101           HN       ARG 101  23.445   6.174   2.119
  857    HA   ARG 101           HA       ARG 101  24.677   8.612   2.848
  858    HB2  ARG 101           HB2      ARG 101  25.881   7.350   4.499
  859    HB3  ARG 101           HB1      ARG 101  24.264   6.663   4.393
  860    HG2  ARG 101           HG2      ARG 101  25.071   4.827   3.078
  861    HG3  ARG 101           HG1      ARG 101  26.676   5.546   2.986
  862    HD2  ARG 101           HD2      ARG 101  26.820   5.349   5.469
  863    HD3  ARG 101           HD1      ARG 101  25.298   4.455   5.433
  864    HE   ARG 101           HE       ARG 101  27.225   3.351   3.638
  865   HH11  ARG 101          HH11      ARG 101  26.352   3.495   7.030
  866   HH12  ARG 101          HH12      ARG 101  27.049   1.949   7.402
  867   HH21  ARG 101          HH21      ARG 101  28.136   1.316   4.134
  868   HH22  ARG 101          HH22      ARG 101  28.041   0.702   5.753
  869    H    ASP 102           HN       ASP 102  25.565   6.012   0.739
  870    HA   ASP 102           HA       ASP 102  28.210   7.227   0.282
  871    HB2  ASP 102           HB2      ASP 102  27.318   4.387  -0.282
  872    HB3  ASP 102           HB1      ASP 102  28.919   5.036  -0.588
  873    H    ARG 103           HN       ARG 103  28.989   6.878  -1.994
  874    HA   ARG 103           HA       ARG 103  26.761   7.037  -3.916
  875    HB2  ARG 103           HB2      ARG 103  28.301   8.287  -5.395
  876    HB3  ARG 103           HB1      ARG 103  28.016   9.122  -3.876
  877    HG2  ARG 103           HG2      ARG 103  30.166   8.499  -3.048
  878    HG3  ARG 103           HG1      ARG 103  30.440   7.422  -4.419
  879    HD2  ARG 103           HD2      ARG 103  31.655   9.529  -4.676
  880    HD3  ARG 103           HD1      ARG 103  30.437   9.328  -5.934
  881    HE   ARG 103           HE       ARG 103  29.526  10.843  -3.661
  882   HH11  ARG 103          HH11      ARG 103  31.153  11.001  -6.759
  883   HH12  ARG 103          HH12      ARG 103  30.800  12.682  -6.997
  884   HH21  ARG 103          HH21      ARG 103  29.064  13.055  -3.970
  885   HH22  ARG 103          HH22      ARG 103  29.607  13.851  -5.416
  886    H    GLY 104           HN       GLY 104  27.835   4.651  -2.864
  887    HA2  GLY 104           HA2      GLY 104  28.153   2.606  -4.114
  888    HA3  GLY 104           HA1      GLY 104  29.180   3.507  -5.225
  889    H    ASP 105           HN       ASP 105  29.292   1.279  -2.838
  890    HA   ASP 105           HA       ASP 105  31.462   2.266  -1.255
  891    HB2  ASP 105           HB2      ASP 105  31.573  -0.004  -0.345
  892    HB3  ASP 105           HB1      ASP 105  29.902   0.544  -0.417
  893    H    GLN 106           HN       GLN 106  31.178   0.283  -4.127
  894    HA   GLN 106           HA       GLN 106  34.100   0.406  -4.430
  895    HB2  GLN 106           HB2      GLN 106  33.166  -1.893  -4.368
  896    HB3  GLN 106           HB1      GLN 106  32.170  -1.502  -5.763
  897    HG2  GLN 106           HG2      GLN 106  34.137  -1.166  -7.121
  898    HG3  GLN 106           HG1      GLN 106  35.178  -1.445  -5.727
  899   HE21  GLN 106          HE21      GLN 106  32.267  -3.274  -6.379
  900   HE22  GLN 106          HE22      GLN 106  33.064  -4.765  -6.745
  901    H    GLU 107           HN       GLU 107  31.017   0.611  -6.135
  902    HA   GLU 107           HA       GLU 107  32.221   1.812  -8.468
  903    HB2  GLU 107           HB2      GLU 107  30.271   0.249  -8.592
  904    HB3  GLU 107           HB1      GLU 107  29.295   1.462  -7.778
  905    HG2  GLU 107           HG2      GLU 107  28.881   1.516 -10.152
  906    HG3  GLU 107           HG1      GLU 107  29.675   3.006  -9.644
  907    H    VAL 108           HN       VAL 108  33.152   3.644  -7.356
  908    HA   VAL 108           HA       VAL 108  31.335   5.604  -6.224
  909    HB   VAL 108           HB       VAL 108  33.367   6.946  -5.794
  910   HG11  VAL 108          HG11      VAL 108  32.613   5.345  -4.125
  911   HG12  VAL 108          HG12      VAL 108  34.375   5.445  -4.139
  912   HG13  VAL 108          HG13      VAL 108  33.562   4.074  -4.895
  913   HG21  VAL 108          HG21      VAL 108  34.695   6.251  -7.718
  914   HG22  VAL 108          HG22      VAL 108  34.825   4.622  -7.053
  915   HG23  VAL 108          HG23      VAL 108  35.579   5.979  -6.216
  916    H    PHE 109           HN       PHE 109  31.774   4.794  -9.232
  917    HA   PHE 109           HA       PHE 109  32.266   7.464 -10.322
  918    HB2  PHE 109           HB2      PHE 109  33.520   5.505 -11.238
  919    HB3  PHE 109           HB1      PHE 109  31.990   4.829 -11.784
  920    HD1  PHE 109           HD1      PHE 109  31.252   5.292 -13.925
  921    HD2  PHE 109           HD2      PHE 109  34.078   7.890 -12.096
  922    HE1  PHE 109           HE1      PHE 109  31.472   6.536 -16.035
  923    HE2  PHE 109           HE2      PHE 109  34.301   9.142 -14.202
  924    HZ   PHE 109           HZ       PHE 109  32.997   8.462 -16.175
  925    H    VAL 110           HN       VAL 110  30.219   8.266  -9.571
  926    HA   VAL 110           HA       VAL 110  28.083   7.609 -11.455
  927    HB   VAL 110           HB       VAL 110  27.395   6.427  -9.503
  928   HG11  VAL 110          HG11      VAL 110  27.862   8.959  -7.941
  929   HG12  VAL 110          HG12      VAL 110  28.806   7.474  -7.840
  930   HG13  VAL 110          HG13      VAL 110  27.124   7.489  -7.306
  931   HG21  VAL 110          HG21      VAL 110  25.619   7.614 -10.656
  932   HG22  VAL 110          HG22      VAL 110  25.901   9.043  -9.658
  933   HG23  VAL 110          HG23      VAL 110  25.295   7.558  -8.921
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1   2.714  16.250  -5.684
    2    H2   MET   1           HT2      MET   1   2.960  14.772  -6.462
    3    H3   MET   1           HT3      MET   1   2.962  14.847  -4.774
    4    HA   MET   1           HA       MET   1   0.649  15.450  -4.749
    5    HB2  MET   1           HB2      MET   1   0.837  15.113  -7.751
    6    HB3  MET   1           HB1      MET   1  -0.651  15.356  -6.848
    7    HG2  MET   1           HG2      MET   1   0.190  17.547  -6.103
    8    HG3  MET   1           HG1      MET   1   1.634  17.302  -7.082
    9    HE1  MET   1           HE1      MET   1  -2.180  18.029  -7.019
   10    HE2  MET   1           HE2      MET   1  -2.186  16.480  -7.861
   11    HE3  MET   1           HE3      MET   1  -2.631  17.950  -8.723
   12    H    ILE   2           HN       ILE   2  -1.006  13.810  -4.749
   13    HA   ILE   2           HA       ILE   2   0.002  11.110  -5.371
   14    HB   ILE   2           HB       ILE   2  -0.966  10.264  -3.293
   15   HG12  ILE   2          HG12      ILE   2  -1.540  13.168  -2.640
   16   HG13  ILE   2          HG11      ILE   2  -2.754  11.964  -3.059
   17   HG21  ILE   2          HG21      ILE   2   0.692  11.065  -1.791
   18   HG22  ILE   2          HG22      ILE   2   0.829  12.594  -2.653
   19   HG23  ILE   2          HG23      ILE   2   1.395  11.104  -3.405
   20   HD11  ILE   2          HD11      ILE   2  -2.703  12.313  -0.675
   21   HD12  ILE   2          HD12      ILE   2  -0.981  11.943  -0.630
   22   HD13  ILE   2          HD13      ILE   2  -2.142  10.685  -1.053
   23    H    ARG   3           HN       ARG   3  -1.672   9.530  -5.779
   24    HA   ARG   3           HA       ARG   3  -4.314  10.653  -6.283
   25    HB2  ARG   3           HB2      ARG   3  -2.483   9.123  -8.039
   26    HB3  ARG   3           HB1      ARG   3  -4.189   8.893  -8.198
   27    HG2  ARG   3           HG2      ARG   3  -4.516  11.223  -8.720
   28    HG3  ARG   3           HG1      ARG   3  -2.807  11.546  -8.409
   29    HD2  ARG   3           HD2      ARG   3  -3.892   9.739 -10.567
   30    HD3  ARG   3           HD1      ARG   3  -3.284  11.376 -10.811
   31    HE   ARG   3           HE       ARG   3  -1.155  10.284  -9.721
   32   HH11  ARG   3          HH11      ARG   3  -3.299   8.929 -12.140
   33   HH12  ARG   3          HH12      ARG   3  -2.067   7.942 -12.856
   34   HH21  ARG   3          HH21      ARG   3   0.469   8.981 -10.656
   35   HH22  ARG   3          HH22      ARG   3   0.080   7.972 -12.017
   36    H    PHE   4           HN       PHE   4  -5.900   8.917  -6.646
   37    HA   PHE   4           HA       PHE   4  -5.390   6.442  -5.158
   38    HB2  PHE   4           HB2      PHE   4  -7.833   8.176  -4.694
   39    HB3  PHE   4           HB1      PHE   4  -7.405   6.695  -3.852
   40    HD1  PHE   4           HD1      PHE   4  -5.455   6.689  -2.293
   41    HD2  PHE   4           HD2      PHE   4  -7.001  10.267  -4.002
   42    HE1  PHE   4           HE1      PHE   4  -4.299   8.012  -0.574
   43    HE2  PHE   4           HE2      PHE   4  -5.846  11.594  -2.283
   44    HZ   PHE   4           HZ       PHE   4  -4.492  10.464  -0.566
   45    H    GLU   5           HN       GLU   5  -5.871   4.900  -6.607
   46    HA   GLU   5           HA       GLU   5  -8.057   5.437  -8.503
   47    HB2  GLU   5           HB2      GLU   5  -5.508   3.861  -8.969
   48    HB3  GLU   5           HB1      GLU   5  -6.828   3.994 -10.119
   49    HG2  GLU   5           HG2      GLU   5  -5.147   6.278  -9.120
   50    HG3  GLU   5           HG1      GLU   5  -4.960   5.467 -10.673
   51    H    ILE   6           HN       ILE   6  -9.417   4.555  -7.013
   52    HA   ILE   6           HA       ILE   6  -9.080   1.731  -6.373
   53    HB   ILE   6           HB       ILE   6 -11.054   3.826  -5.493
   54   HG12  ILE   6          HG12      ILE   6  -8.945   2.421  -3.848
   55   HG13  ILE   6          HG11      ILE   6  -8.666   3.955  -4.664
   56   HG21  ILE   6          HG21      ILE   6 -11.992   2.191  -3.949
   57   HG22  ILE   6          HG22      ILE   6 -10.789   0.995  -4.417
   58   HG23  ILE   6          HG23      ILE   6 -12.034   1.477  -5.567
   59   HD11  ILE   6          HD11      ILE   6 -10.701   3.431  -2.506
   60   HD12  ILE   6          HD12      ILE   6 -10.467   4.966  -3.342
   61   HD13  ILE   6          HD13      ILE   6  -9.181   4.309  -2.332
   62    H    HIS   7           HN       HIS   7 -10.078   0.274  -7.486
   63    HA   HIS   7           HA       HIS   7 -12.540   0.963  -8.972
   64    HB2  HIS   7           HB2      HIS   7 -10.493  -1.199  -9.345
   65    HB3  HIS   7           HB1      HIS   7 -12.144  -1.404  -9.921
   66    HD1  HIS   7           HD1      HIS   7 -12.597  -0.493 -12.220
   67    HD2  HIS   7           HD2      HIS   7  -9.187   1.169 -10.519
   68    HE1  HIS   7           HE1      HIS   7 -11.586   0.959 -14.007
   69    HE2  HIS   7           HE2      HIS   7  -9.626   2.085 -12.898
   70    H    GLY   8           HN       GLY   8 -13.955   0.795  -7.234
   71    HA2  GLY   8           HA2      GLY   8 -13.677  -1.749  -5.877
   72    HA3  GLY   8           HA1      GLY   8 -14.216  -0.299  -5.048
   73    H    ASP   9           HN       ASP   9 -15.249  -3.148  -6.421
   74    HA   ASP   9           HA       ASP   9 -17.938  -2.114  -6.998
   75    HB2  ASP   9           HB2      ASP   9 -16.745  -3.720  -8.601
   76    HB3  ASP   9           HB1      ASP   9 -16.990  -4.957  -7.375
   77    H    ASN  10           HN       ASN  10 -18.459  -1.682  -4.837
   78    HA   ASN  10           HA       ASN  10 -18.775  -4.046  -3.102
   79    HB2  ASN  10           HB2      ASN  10 -16.926  -2.434  -2.443
   80    HB3  ASN  10           HB1      ASN  10 -18.173  -1.226  -2.187
   81   HD21  ASN  10          HD21      ASN  10 -16.297  -2.267  -0.285
   82   HD22  ASN  10          HD22      ASN  10 -17.217  -2.980   0.989
   83    H    LEU  11           HN       LEU  11 -20.701  -4.240  -2.051
   84    HA   LEU  11           HA       LEU  11 -22.960  -2.782  -2.938
   85    HB2  LEU  11           HB2      LEU  11 -23.050  -5.103  -2.118
   86    HB3  LEU  11           HB1      LEU  11 -22.629  -4.550  -0.511
   87    HG   LEU  11           HG       LEU  11 -24.753  -3.246  -0.457
   88   HD11  LEU  11          HD11      LEU  11 -26.488  -3.791  -2.102
   89   HD12  LEU  11          HD12      LEU  11 -25.314  -4.732  -3.020
   90   HD13  LEU  11          HD13      LEU  11 -25.105  -2.989  -2.848
   91   HD21  LEU  11          HD21      LEU  11 -24.613  -5.421   0.605
   92   HD22  LEU  11          HD22      LEU  11 -24.996  -6.215  -0.923
   93   HD23  LEU  11          HD23      LEU  11 -26.202  -5.203  -0.130
   94    H    THR  12           HN       THR  12 -20.656  -2.287  -0.427
   95    HA   THR  12           HA       THR  12 -22.178   0.068   0.470
   96    HB   THR  12           HB       THR  12 -20.392  -1.631   2.225
   97    HG1  THR  12           HG1      THR  12 -23.012  -1.893   1.524
   98   HG21  THR  12          HG21      THR  12 -21.327  -0.283   4.053
   99   HG22  THR  12          HG22      THR  12 -22.238   0.672   2.886
  100   HG23  THR  12          HG23      THR  12 -20.476   0.727   2.884
  101    H    ILE  13           HN       ILE  13 -20.978   1.325  -1.072
  102    HA   ILE  13           HA       ILE  13 -18.333   2.005   0.006
  103    HB   ILE  13           HB       ILE  13 -18.023   2.908  -2.507
  104   HG12  ILE  13          HG12      ILE  13 -18.610   0.865  -3.971
  105   HG13  ILE  13          HG11      ILE  13 -19.769   0.463  -2.711
  106   HG21  ILE  13          HG21      ILE  13 -16.637   0.847  -2.877
  107   HG22  ILE  13          HG22      ILE  13 -17.284   0.238  -1.352
  108   HG23  ILE  13          HG23      ILE  13 -16.334   1.722  -1.378
  109   HD11  ILE  13          HD11      ILE  13 -20.873   2.618  -3.052
  110   HD12  ILE  13          HD12      ILE  13 -20.837   1.650  -4.526
  111   HD13  ILE  13          HD13      ILE  13 -19.718   2.999  -4.328
  112    H    THR  14           HN       THR  14 -18.061   4.033   0.556
  113    HA   THR  14           HA       THR  14 -19.634   6.135  -0.640
  114    HB   THR  14           HB       THR  14 -21.150   5.369   1.093
  115    HG1  THR  14           HG1      THR  14 -21.616   7.355   1.632
  116   HG21  THR  14          HG21      THR  14 -18.893   5.861   3.026
  117   HG22  THR  14          HG22      THR  14 -19.566   4.290   2.586
  118   HG23  THR  14          HG23      THR  14 -20.552   5.456   3.469
  119    H    ASP  15           HN       ASP  15 -19.117   8.177   1.029
  120    HA   ASP  15           HA       ASP  15 -16.447   8.817   0.368
  121    HB2  ASP  15           HB2      ASP  15 -18.264  10.479   0.604
  122    HB3  ASP  15           HB1      ASP  15 -18.287  10.188   2.339
  123    H    ALA  16           HN       ALA  16 -17.906   7.479   3.218
  124    HA   ALA  16           HA       ALA  16 -16.126   7.862   5.258
  125    HB1  ALA  16           HB1      ALA  16 -16.874   5.773   6.156
  126    HB2  ALA  16           HB2      ALA  16 -17.312   5.190   4.545
  127    HB3  ALA  16           HB3      ALA  16 -18.235   6.501   5.297
  128    H    ILE  17           HN       ILE  17 -16.016   5.055   3.117
  129    HA   ILE  17           HA       ILE  17 -13.537   4.089   4.026
  130    HB   ILE  17           HB       ILE  17 -15.101   3.641   1.520
  131   HG12  ILE  17          HG12      ILE  17 -15.179   1.271   2.701
  132   HG13  ILE  17          HG11      ILE  17 -14.786   2.222   4.134
  133   HG21  ILE  17          HG21      ILE  17 -12.586   2.203   2.369
  134   HG22  ILE  17          HG22      ILE  17 -12.779   3.239   0.956
  135   HG23  ILE  17          HG23      ILE  17 -13.640   1.703   1.045
  136   HD11  ILE  17          HD11      ILE  17 -17.208   1.769   3.806
  137   HD12  ILE  17          HD12      ILE  17 -17.151   2.771   2.356
  138   HD13  ILE  17          HD13      ILE  17 -16.797   3.474   3.932
  139    H    ARG  18           HN       ARG  18 -14.497   6.071   1.281
  140    HA   ARG  18           HA       ARG  18 -12.077   6.163  -0.018
  141    HB2  ARG  18           HB2      ARG  18 -14.086   7.100  -1.025
  142    HB3  ARG  18           HB1      ARG  18 -14.181   8.327   0.231
  143    HG2  ARG  18           HG2      ARG  18 -12.052   9.272  -0.564
  144    HG3  ARG  18           HG1      ARG  18 -12.029   8.075  -1.859
  145    HD2  ARG  18           HD2      ARG  18 -14.063   8.973  -2.785
  146    HD3  ARG  18           HD1      ARG  18 -14.232  10.087  -1.430
  147    HE   ARG  18           HE       ARG  18 -11.789  10.666  -2.512
  148   HH11  ARG  18          HH11      ARG  18 -15.058  10.530  -3.746
  149   HH12  ARG  18          HH12      ARG  18 -14.809  11.800  -4.903
  150   HH21  ARG  18          HH21      ARG  18 -11.455  12.333  -4.029
  151   HH22  ARG  18          HH22      ARG  18 -12.757  12.827  -5.061
  152    H    ASN  19           HN       ASN  19 -13.420   8.295   2.473
  153    HA   ASN  19           HA       ASN  19 -11.198   9.819   3.142
  154    HB2  ASN  19           HB2      ASN  19 -13.527   8.759   4.709
  155    HB3  ASN  19           HB1      ASN  19 -12.240   9.596   5.553
  156   HD21  ASN  19          HD21      ASN  19 -11.744  11.441   3.323
  157   HD22  ASN  19          HD22      ASN  19 -13.072  12.551   3.331
  158    H    TYR  20           HN       TYR  20 -12.259   6.785   4.658
  159    HA   TYR  20           HA       TYR  20 -10.271   6.283   6.439
  160    HB2  TYR  20           HB2      TYR  20 -12.377   4.865   5.628
  161    HB3  TYR  20           HB1      TYR  20 -11.153   4.007   4.704
  162    HD1  TYR  20           HD1      TYR  20  -8.895   4.114   6.721
  163    HD2  TYR  20           HD2      TYR  20 -13.032   3.224   7.152
  164    HE1  TYR  20           HE1      TYR  20  -8.389   2.727   8.686
  165    HE2  TYR  20           HE2      TYR  20 -12.536   1.838   9.119
  166    HH   TYR  20           HH       TYR  20  -9.514   1.898  10.689
  167    H    ILE  21           HN       ILE  21 -10.092   5.808   2.928
  168    HA   ILE  21           HA       ILE  21  -7.631   4.278   3.155
  169    HB   ILE  21           HB       ILE  21  -9.196   5.231   0.754
  170   HG12  ILE  21          HG12      ILE  21 -10.503   3.617   1.993
  171   HG13  ILE  21          HG11      ILE  21  -9.888   2.841   0.538
  172   HG21  ILE  21          HG21      ILE  21  -6.860   4.881   0.194
  173   HG22  ILE  21          HG22      ILE  21  -7.850   3.617  -0.536
  174   HG23  ILE  21          HG23      ILE  21  -6.905   3.270   0.911
  175   HD11  ILE  21          HD11      ILE  21  -9.738   1.345   2.423
  176   HD12  ILE  21          HD12      ILE  21  -8.792   2.530   3.322
  177   HD13  ILE  21          HD13      ILE  21  -8.121   1.784   1.871
  178    H    GLU  22           HN       GLU  22  -8.957   7.367   2.403
  179    HA   GLU  22           HA       GLU  22  -6.714   8.289   1.029
  180    HB2  GLU  22           HB2      GLU  22  -8.957   9.279   0.718
  181    HB3  GLU  22           HB1      GLU  22  -8.870   9.919   2.353
  182    HG2  GLU  22           HG2      GLU  22  -6.940  11.280   1.707
  183    HG3  GLU  22           HG1      GLU  22  -7.057  10.653   0.065
  184    H    GLU  23           HN       GLU  23  -7.778   8.245   4.285
  185    HA   GLU  23           HA       GLU  23  -5.724  10.005   5.283
  186    HB2  GLU  23           HB2      GLU  23  -7.512   8.194   6.895
  187    HB3  GLU  23           HB1      GLU  23  -6.744   9.695   7.403
  188    HG2  GLU  23           HG2      GLU  23  -8.156  10.953   5.879
  189    HG3  GLU  23           HG1      GLU  23  -8.909   9.446   5.318
  190    H    LYS  24           HN       LYS  24  -6.362   6.510   5.160
  191    HA   LYS  24           HA       LYS  24  -4.155   5.702   6.719
  192    HB2  LYS  24           HB2      LYS  24  -6.127   4.337   5.876
  193    HB3  LYS  24           HB1      LYS  24  -5.300   4.254   4.333
  194    HG2  LYS  24           HG2      LYS  24  -3.480   3.025   5.320
  195    HG3  LYS  24           HG1      LYS  24  -4.174   3.230   6.930
  196    HD2  LYS  24           HD2      LYS  24  -6.207   2.013   6.112
  197    HD3  LYS  24           HD1      LYS  24  -5.328   1.667   4.624
  198    HE2  LYS  24           HE2      LYS  24  -5.162  -0.236   6.063
  199    HE3  LYS  24           HE1      LYS  24  -3.584   0.543   5.987
  200    HZ1  LYS  24           HZ1      LYS  24  -3.985   1.544   8.123
  201    HZ2  LYS  24           HZ2      LYS  24  -4.202  -0.132   8.243
  202    HZ3  LYS  24           HZ3      LYS  24  -5.545   0.895   8.185
  203    H    ILE  25           HN       ILE  25  -4.488   5.832   3.181
  204    HA   ILE  25           HA       ILE  25  -1.756   5.558   2.563
  205    HB   ILE  25           HB       ILE  25  -3.879   6.969   0.938
  206   HG12  ILE  25          HG12      ILE  25  -4.579   4.687   1.470
  207   HG13  ILE  25          HG11      ILE  25  -4.174   4.828  -0.236
  208   HG21  ILE  25          HG21      ILE  25  -2.460   6.411  -0.994
  209   HG22  ILE  25          HG22      ILE  25  -1.246   5.759   0.106
  210   HG23  ILE  25          HG23      ILE  25  -1.646   7.476   0.152
  211   HD11  ILE  25          HD11      ILE  25  -2.502   3.576   1.924
  212   HD12  ILE  25          HD12      ILE  25  -1.972   3.817   0.260
  213   HD13  ILE  25          HD13      ILE  25  -3.338   2.756   0.605
  214    H    GLY  26           HN       GLY  26  -3.803   8.320   3.289
  215    HA2  GLY  26           HA2      GLY  26  -1.952  10.360   2.792
  216    HA3  GLY  26           HA1      GLY  26  -3.264  10.436   3.959
  217    H    LYS  27           HN       LYS  27  -2.243   8.135   5.521
  218    HA   LYS  27           HA       LYS  27  -0.439   9.654   7.165
  219    HB2  LYS  27           HB2      LYS  27  -2.035   7.220   7.450
  220    HB3  LYS  27           HB1      LYS  27  -0.442   7.077   8.174
  221    HG2  LYS  27           HG2      LYS  27  -2.019   7.812   9.830
  222    HG3  LYS  27           HG1      LYS  27  -0.887   9.119   9.481
  223    HD2  LYS  27           HD2      LYS  27  -2.559  10.129   7.981
  224    HD3  LYS  27           HD1      LYS  27  -3.687   8.841   8.399
  225    HE2  LYS  27           HE2      LYS  27  -2.488  10.816  10.336
  226    HE3  LYS  27           HE1      LYS  27  -4.122  10.886   9.681
  227    HZ1  LYS  27           HZ1      LYS  27  -4.102   9.907  11.882
  228    HZ2  LYS  27           HZ2      LYS  27  -3.029   8.706  11.373
  229    HZ3  LYS  27           HZ3      LYS  27  -4.594   8.760  10.740
  230    H    LEU  28           HN       LEU  28  -0.441   7.012   4.921
  231    HA   LEU  28           HA       LEU  28   2.279   6.308   5.277
  232    HB2  LEU  28           HB2      LEU  28   0.661   5.972   2.785
  233    HB3  LEU  28           HB1      LEU  28   2.044   5.017   3.305
  234    HG   LEU  28           HG       LEU  28  -0.538   5.220   4.811
  235   HD11  LEU  28          HD11      LEU  28   0.430   2.864   3.177
  236   HD12  LEU  28          HD12      LEU  28  -0.656   4.082   2.525
  237   HD13  LEU  28          HD13      LEU  28  -1.162   3.100   3.899
  238   HD21  LEU  28          HD21      LEU  28   0.352   3.224   5.993
  239   HD22  LEU  28          HD22      LEU  28   1.311   4.682   6.239
  240   HD23  LEU  28          HD23      LEU  28   1.874   3.435   5.129
  241    H    GLU  29           HN       GLU  29   0.649   8.715   3.362
  242    HA   GLU  29           HA       GLU  29   2.921   9.445   1.777
  243    HB2  GLU  29           HB2      GLU  29   0.645   9.779   0.949
  244    HB3  GLU  29           HB1      GLU  29   0.302  10.874   2.277
  245    HG2  GLU  29           HG2      GLU  29   2.524  11.485   0.376
  246    HG3  GLU  29           HG1      GLU  29   0.856  11.808  -0.079
  247    H    ARG  30           HN       ARG  30   1.517  10.509   4.811
  248    HA   ARG  30           HA       ARG  30   2.834  12.954   5.004
  249    HB2  ARG  30           HB2      ARG  30   1.744  11.164   7.046
  250    HB3  ARG  30           HB1      ARG  30   2.483  12.677   7.490
  251    HG2  ARG  30           HG2      ARG  30   0.112  12.359   5.656
  252    HG3  ARG  30           HG1      ARG  30   0.022  12.784   7.363
  253    HD2  ARG  30           HD2      ARG  30  -0.162  14.808   6.147
  254    HD3  ARG  30           HD1      ARG  30   1.458  14.777   6.837
  255    HE   ARG  30           HE       ARG  30   1.253  13.781   4.117
  256   HH11  ARG  30          HH11      ARG  30   1.827  16.561   6.174
  257   HH12  ARG  30          HH12      ARG  30   2.679  17.448   4.949
  258   HH21  ARG  30          HH21      ARG  30   2.400  14.932   2.511
  259   HH22  ARG  30          HH22      ARG  30   3.002  16.528   2.873
  260    H    TYR  31           HN       TYR  31   4.184   9.879   5.138
  261    HA   TYR  31           HA       TYR  31   6.454  10.538   6.748
  262    HB2  TYR  31           HB2      TYR  31   6.030   8.406   4.650
  263    HB3  TYR  31           HB1      TYR  31   7.513   8.568   5.579
  264    HD1  TYR  31           HD1      TYR  31   4.313   7.056   5.467
  265    HD2  TYR  31           HD2      TYR  31   7.252   8.519   8.169
  266    HE1  TYR  31           HE1      TYR  31   3.356   5.663   7.253
  267    HE2  TYR  31           HE2      TYR  31   6.304   7.130   9.963
  268    HH   TYR  31           HH       TYR  31   4.179   4.618   9.409
  269    H    PHE  32           HN       PHE  32   5.402  11.383   3.639
  270    HA   PHE  32           HA       PHE  32   8.087  12.175   2.794
  271    HB2  PHE  32           HB2      PHE  32   5.715  12.211   0.999
  272    HB3  PHE  32           HB1      PHE  32   7.395  11.946   0.621
  273    HD1  PHE  32           HD1      PHE  32   4.571  10.410   0.127
  274    HD2  PHE  32           HD2      PHE  32   8.146   9.685   2.321
  275    HE1  PHE  32           HE1      PHE  32   4.187   7.989  -0.050
  276    HE2  PHE  32           HE2      PHE  32   7.768   7.267   2.137
  277    HZ   PHE  32           HZ       PHE  32   5.788   6.414   0.954
  278    H    ASN  33           HN       ASN  33   8.142  14.239   1.592
  279    HA   ASN  33           HA       ASN  33   5.775  15.888   2.066
  280    HB2  ASN  33           HB2      ASN  33   7.591  16.799   3.404
  281    HB3  ASN  33           HB1      ASN  33   8.663  16.798   2.008
  282   HD21  ASN  33          HD21      ASN  33   8.523  18.429   0.506
  283   HD22  ASN  33          HD22      ASN  33   7.533  19.832   0.734
  284    H    ASP  34           HN       ASP  34   8.637  15.731  -0.008
  285    HA   ASP  34           HA       ASP  34   7.319  17.032  -2.117
  286    HB2  ASP  34           HB2      ASP  34  10.091  15.945  -1.844
  287    HB3  ASP  34           HB1      ASP  34   9.514  16.729  -3.310
  288    H    VAL  35           HN       VAL  35   6.277  14.447  -1.380
  289    HA   VAL  35           HA       VAL  35   7.064  12.314  -2.949
  290    HB   VAL  35           HB       VAL  35   5.503  11.947  -1.191
  291   HG11  VAL  35          HG11      VAL  35   3.205  12.798  -1.228
  292   HG12  VAL  35          HG12      VAL  35   3.576  13.714  -2.689
  293   HG13  VAL  35          HG13      VAL  35   4.391  14.101  -1.173
  294   HG21  VAL  35          HG21      VAL  35   3.678  10.719  -2.333
  295   HG22  VAL  35          HG22      VAL  35   5.277  10.367  -2.983
  296   HG23  VAL  35          HG23      VAL  35   4.191  11.445  -3.856
  297    HA   PRO  36           HA       PRO  36   6.132  13.946  -7.047
  298    HB2  PRO  36           HB2      PRO  36   7.075  11.281  -7.877
  299    HB3  PRO  36           HB1      PRO  36   7.684  12.876  -8.325
  300    HG2  PRO  36           HG2      PRO  36   9.059  11.254  -6.692
  301    HG3  PRO  36           HG1      PRO  36   9.064  13.015  -6.481
  302    HD2  PRO  36           HD2      PRO  36   7.537  10.928  -4.973
  303    HD3  PRO  36           HD1      PRO  36   8.359  12.382  -4.370
  304    H    ASN  37           HN       ASN  37   5.413  10.612  -6.045
  305    HA   ASN  37           HA       ASN  37   2.677  10.887  -6.848
  306    HB2  ASN  37           HB2      ASN  37   3.614  10.383  -9.034
  307    HB3  ASN  37           HB1      ASN  37   4.480   8.997  -8.380
  308   HD21  ASN  37          HD21      ASN  37   3.381   7.102  -7.964
  309   HD22  ASN  37          HD22      ASN  37   1.770   6.818  -8.520
  310    H    ALA  38           HN       ALA  38   1.486   9.774  -5.489
  311    HA   ALA  38           HA       ALA  38   2.363   7.092  -4.655
  312    HB1  ALA  38           HB1      ALA  38   2.885   8.558  -2.769
  313    HB2  ALA  38           HB2      ALA  38   1.536   7.489  -2.382
  314    HB3  ALA  38           HB3      ALA  38   1.235   9.179  -2.778
  315    H    VAL  39           HN       VAL  39   0.793   5.779  -5.397
  316    HA   VAL  39           HA       VAL  39  -1.906   6.858  -5.743
  317    HB   VAL  39           HB       VAL  39  -0.086   5.218  -7.426
  318   HG11  VAL  39          HG11      VAL  39  -3.053   4.878  -7.669
  319   HG12  VAL  39          HG12      VAL  39  -1.991   3.743  -6.817
  320   HG13  VAL  39          HG13      VAL  39  -1.775   4.036  -8.554
  321   HG21  VAL  39          HG21      VAL  39  -0.582   7.558  -7.946
  322   HG22  VAL  39          HG22      VAL  39  -2.289   7.144  -8.127
  323   HG23  VAL  39          HG23      VAL  39  -1.092   6.462  -9.229
  324    H    ALA  40           HN       ALA  40  -3.669   5.420  -5.249
  325    HA   ALA  40           HA       ALA  40  -2.868   2.749  -4.216
  326    HB1  ALA  40           HB1      ALA  40  -4.802   2.857  -2.695
  327    HB2  ALA  40           HB2      ALA  40  -5.163   4.488  -3.258
  328    HB3  ALA  40           HB3      ALA  40  -3.670   4.169  -2.375
  329    H    HIS  41           HN       HIS  41  -3.164   1.816  -6.234
  330    HA   HIS  41           HA       HIS  41  -5.769   1.916  -7.516
  331    HB2  HIS  41           HB2      HIS  41  -3.772   1.791  -8.930
  332    HB3  HIS  41           HB1      HIS  41  -3.271   0.310  -8.133
  333    HD1  HIS  41           HD1      HIS  41  -5.520   1.614 -10.789
  334    HD2  HIS  41           HD2      HIS  41  -4.691  -2.007  -8.922
  335    HE1  HIS  41           HE1      HIS  41  -6.585  -0.149 -12.227
  336    HE2  HIS  41           HE2      HIS  41  -5.910  -2.334 -11.177
  337    H    VAL  42           HN       VAL  42  -7.224   0.996  -6.117
  338    HA   VAL  42           HA       VAL  42  -6.585  -1.663  -4.939
  339    HB   VAL  42           HB       VAL  42  -7.717   0.902  -3.918
  340   HG11  VAL  42          HG11      VAL  42  -8.487  -1.789  -2.861
  341   HG12  VAL  42          HG12      VAL  42  -9.549  -0.645  -3.682
  342   HG13  VAL  42          HG13      VAL  42  -8.860  -0.236  -2.109
  343   HG21  VAL  42          HG21      VAL  42  -6.458   0.167  -1.919
  344   HG22  VAL  42          HG22      VAL  42  -5.447   0.247  -3.372
  345   HG23  VAL  42          HG23      VAL  42  -6.053  -1.318  -2.786
  346    H    LYS  43           HN       LYS  43  -8.324  -2.999  -4.729
  347    HA   LYS  43           HA       LYS  43 -10.757  -2.321  -6.264
  348    HB2  LYS  43           HB2      LYS  43  -9.209  -3.515  -7.811
  349    HB3  LYS  43           HB1      LYS  43  -9.135  -4.854  -6.679
  350    HG2  LYS  43           HG2      LYS  43 -11.469  -5.335  -7.014
  351    HG3  LYS  43           HG1      LYS  43 -11.646  -3.912  -8.041
  352    HD2  LYS  43           HD2      LYS  43 -11.469  -5.945  -9.382
  353    HD3  LYS  43           HD1      LYS  43 -10.090  -4.882  -9.660
  354    HE2  LYS  43           HE2      LYS  43  -8.732  -6.236  -8.151
  355    HE3  LYS  43           HE1      LYS  43 -10.115  -7.282  -7.833
  356    HZ1  LYS  43           HZ1      LYS  43  -8.818  -6.904 -10.478
  357    HZ2  LYS  43           HZ2      LYS  43 -10.122  -7.930 -10.153
  358    HZ3  LYS  43           HZ3      LYS  43  -8.610  -8.244  -9.465
  359    H    VAL  44           HN       VAL  44 -12.564  -3.321  -5.557
  360    HA   VAL  44           HA       VAL  44 -12.300  -5.338  -3.449
  361    HB   VAL  44           HB       VAL  44 -12.458  -2.967  -2.447
  362   HG11  VAL  44          HG11      VAL  44 -14.033  -2.117  -4.058
  363   HG12  VAL  44          HG12      VAL  44 -14.719  -2.026  -2.425
  364   HG13  VAL  44          HG13      VAL  44 -15.220  -3.320  -3.530
  365   HG21  VAL  44          HG21      VAL  44 -12.984  -4.989  -1.157
  366   HG22  VAL  44          HG22      VAL  44 -14.639  -4.932  -1.756
  367   HG23  VAL  44          HG23      VAL  44 -14.032  -3.642  -0.718
  368    H    LYS  45           HN       LYS  45 -14.310  -6.382  -3.091
  369    HA   LYS  45           HA       LYS  45 -16.544  -6.104  -4.870
  370    HB2  LYS  45           HB2      LYS  45 -14.592  -8.386  -5.193
  371    HB3  LYS  45           HB1      LYS  45 -16.264  -8.506  -5.711
  372    HG2  LYS  45           HG2      LYS  45 -15.941  -6.720  -7.294
  373    HG3  LYS  45           HG1      LYS  45 -14.294  -6.465  -6.714
  374    HD2  LYS  45           HD2      LYS  45 -13.642  -8.657  -7.476
  375    HD3  LYS  45           HD1      LYS  45 -15.306  -9.027  -7.936
  376    HE2  LYS  45           HE2      LYS  45 -15.237  -7.211  -9.582
  377    HE3  LYS  45           HE1      LYS  45 -13.566  -6.878  -9.134
  378    HZ1  LYS  45           HZ1      LYS  45 -13.807  -8.261 -11.146
  379    HZ2  LYS  45           HZ2      LYS  45 -14.511  -9.478 -10.203
  380    HZ3  LYS  45           HZ3      LYS  45 -12.911  -9.014  -9.928
  381    H    THR  46           HN       THR  46 -18.016  -6.256  -3.260
  382    HA   THR  46           HA       THR  46 -18.385  -8.800  -1.998
  383    HB   THR  46           HB       THR  46 -16.789  -8.051  -0.413
  384    HG1  THR  46           HG1      THR  46 -18.296  -7.655   1.467
  385   HG21  THR  46          HG21      THR  46 -16.985  -5.936   0.813
  386   HG22  THR  46          HG22      THR  46 -18.368  -5.494  -0.186
  387   HG23  THR  46          HG23      THR  46 -16.773  -5.670  -0.917
  388    H    TYR  47           HN       TYR  47 -20.479  -9.141  -1.723
  389    HA   TYR  47           HA       TYR  47 -22.238  -6.802  -1.400
  390    HB2  TYR  47           HB2      TYR  47 -23.036  -9.521  -2.470
  391    HB3  TYR  47           HB1      TYR  47 -24.019  -8.060  -2.443
  392    HD1  TYR  47           HD1      TYR  47 -23.257  -6.086  -3.876
  393    HD2  TYR  47           HD2      TYR  47 -21.681 -10.010  -4.312
  394    HE1  TYR  47           HE1      TYR  47 -22.446  -5.507  -6.123
  395    HE2  TYR  47           HE2      TYR  47 -20.862  -9.441  -6.556
  396    HH   TYR  47           HH       TYR  47 -20.648  -6.284  -7.690
  397    H    SER  48           HN       SER  48 -21.353  -7.127   0.811
  398    HA   SER  48           HA       SER  48 -23.113  -8.366   2.586
  399    HB2  SER  48           HB2      SER  48 -22.249 -10.486   1.755
  400    HB3  SER  48           HB1      SER  48 -20.591  -9.934   1.973
  401    HG   SER  48           HG       SER  48 -21.775 -11.331   3.666
  402    H    ASN  49           HN       ASN  49 -22.322  -8.227   4.799
  403    HA   ASN  49           HA       ASN  49 -20.349  -6.093   5.110
  404    HB2  ASN  49           HB2      ASN  49 -22.559  -5.848   6.195
  405    HB3  ASN  49           HB1      ASN  49 -22.265  -7.318   7.114
  406   HD21  ASN  49          HD21      ASN  49 -21.390  -3.978   6.690
  407   HD22  ASN  49          HD22      ASN  49 -20.604  -3.789   8.220
  408    H    SER  50           HN       SER  50 -20.427  -9.394   5.074
  409    HA   SER  50           HA       SER  50 -18.345  -9.625   7.115
  410    HB2  SER  50           HB2      SER  50 -20.217 -11.792   6.157
  411    HB3  SER  50           HB1      SER  50 -19.035 -11.943   7.456
  412    HG   SER  50           HG       SER  50 -20.243 -10.688   8.740
  413    H    ALA  51           HN       ALA  51 -18.410  -9.171   4.116
  414    HA   ALA  51           HA       ALA  51 -16.343 -11.167   3.434
  415    HB1  ALA  51           HB1      ALA  51 -18.844 -10.780   2.098
  416    HB2  ALA  51           HB2      ALA  51 -17.556 -11.932   1.735
  417    HB3  ALA  51           HB3      ALA  51 -17.510 -10.299   1.030
  418    H    THR  52           HN       THR  52 -14.721 -10.434   2.017
  419    HA   THR  52           HA       THR  52 -15.224  -8.188   0.540
  420    HB   THR  52           HB       THR  52 -12.594  -7.805   1.793
  421    HG1  THR  52           HG1      THR  52 -15.015  -7.306   3.149
  422   HG21  THR  52          HG21      THR  52 -12.903  -5.639   1.175
  423   HG22  THR  52          HG22      THR  52 -14.634  -5.682   1.508
  424   HG23  THR  52          HG23      THR  52 -14.000  -6.413   0.033
  425    H    LYS  53           HN       LYS  53 -14.560  -8.796  -1.492
  426    HA   LYS  53           HA       LYS  53 -11.977 -10.143  -1.704
  427    HB2  LYS  53           HB2      LYS  53 -14.110  -9.528  -3.760
  428    HB3  LYS  53           HB1      LYS  53 -12.586 -10.302  -4.132
  429    HG2  LYS  53           HG2      LYS  53 -13.165 -12.232  -2.865
  430    HG3  LYS  53           HG1      LYS  53 -14.584 -11.430  -2.196
  431    HD2  LYS  53           HD2      LYS  53 -15.476 -11.263  -4.533
  432    HD3  LYS  53           HD1      LYS  53 -14.131 -12.280  -5.049
  433    HE2  LYS  53           HE2      LYS  53 -16.172 -13.059  -2.968
  434    HE3  LYS  53           HE1      LYS  53 -16.247 -13.530  -4.663
  435    HZ1  LYS  53           HZ1      LYS  53 -15.294 -15.288  -3.344
  436    HZ2  LYS  53           HZ2      LYS  53 -14.100 -14.258  -2.742
  437    HZ3  LYS  53           HZ3      LYS  53 -14.114 -14.667  -4.382
  438    H    ILE  54           HN       ILE  54 -10.245  -8.933  -1.921
  439    HA   ILE  54           HA       ILE  54 -10.577  -6.203  -2.937
  440    HB   ILE  54           HB       ILE  54  -8.782  -5.568  -1.236
  441   HG12  ILE  54          HG12      ILE  54  -8.490  -8.081  -0.577
  442   HG13  ILE  54          HG11      ILE  54  -8.419  -6.840   0.665
  443   HG21  ILE  54          HG21      ILE  54 -11.595  -6.240  -0.518
  444   HG22  ILE  54          HG22      ILE  54 -10.965  -4.752  -1.263
  445   HG23  ILE  54          HG23      ILE  54 -10.554  -5.148   0.414
  446   HD11  ILE  54          HD11      ILE  54 -10.744  -8.641   0.043
  447   HD12  ILE  54          HD12      ILE  54 -10.774  -7.326   1.216
  448   HD13  ILE  54          HD13      ILE  54  -9.697  -8.699   1.461
  449    H    GLU  55           HN       GLU  55  -8.660  -5.093  -3.466
  450    HA   GLU  55           HA       GLU  55  -6.226  -6.636  -3.755
  451    HB2  GLU  55           HB2      GLU  55  -7.529  -6.972  -5.934
  452    HB3  GLU  55           HB1      GLU  55  -7.350  -5.241  -6.176
  453    HG2  GLU  55           HG2      GLU  55  -4.925  -5.467  -6.133
  454    HG3  GLU  55           HG1      GLU  55  -5.097  -7.207  -5.915
  455    H    VAL  56           HN       VAL  56  -4.497  -5.258  -3.968
  456    HA   VAL  56           HA       VAL  56  -5.015  -2.380  -3.895
  457    HB   VAL  56           HB       VAL  56  -4.370  -2.379  -1.698
  458   HG11  VAL  56          HG11      VAL  56  -3.288  -5.084  -2.174
  459   HG12  VAL  56          HG12      VAL  56  -4.874  -4.677  -1.527
  460   HG13  VAL  56          HG13      VAL  56  -3.421  -4.306  -0.599
  461   HG21  VAL  56          HG21      VAL  56  -1.640  -3.307  -2.633
  462   HG22  VAL  56          HG22      VAL  56  -1.989  -2.270  -1.258
  463   HG23  VAL  56          HG23      VAL  56  -2.221  -1.670  -2.895
  464    H    THR  57           HN       THR  57  -3.630  -1.314  -4.996
  465    HA   THR  57           HA       THR  57  -0.923  -2.309  -5.264
  466    HB   THR  57           HB       THR  57  -2.315  -1.296  -7.760
  467    HG1  THR  57           HG1      THR  57  -2.460  -3.771  -6.622
  468   HG21  THR  57          HG21      THR  57   0.102  -1.056  -7.742
  469   HG22  THR  57          HG22      THR  57  -0.378  -2.293  -8.905
  470   HG23  THR  57          HG23      THR  57   0.283  -2.762  -7.340
  471    H    ILE  58           HN       ILE  58  -0.091  -0.715  -4.233
  472    HA   ILE  58           HA       ILE  58  -0.995   2.087  -4.651
  473    HB   ILE  58           HB       ILE  58  -0.081   0.414  -2.333
  474   HG12  ILE  58          HG12      ILE  58  -1.720   1.848  -1.098
  475   HG13  ILE  58          HG11      ILE  58  -2.060   2.681  -2.603
  476   HG21  ILE  58          HG21      ILE  58   0.510   2.409  -0.972
  477   HG22  ILE  58          HG22      ILE  58   0.454   3.391  -2.436
  478   HG23  ILE  58          HG23      ILE  58   1.651   2.105  -2.283
  479   HD11  ILE  58          HD11      ILE  58  -2.730   0.445  -3.542
  480   HD12  ILE  58          HD12      ILE  58  -3.772   1.108  -2.286
  481   HD13  ILE  58          HD13      ILE  58  -2.627  -0.169  -1.892
  482    HA   PRO  59           HA       PRO  59   3.392   2.220  -6.311
  483    HB2  PRO  59           HB2      PRO  59   2.127   4.405  -7.858
  484    HB3  PRO  59           HB1      PRO  59   3.138   3.065  -8.421
  485    HG2  PRO  59           HG2      PRO  59   0.524   3.103  -8.919
  486    HG3  PRO  59           HG1      PRO  59   1.348   1.585  -8.504
  487    HD2  PRO  59           HD2      PRO  59  -0.281   3.387  -6.746
  488    HD3  PRO  59           HD1      PRO  59  -0.354   1.620  -6.899
  489    H    LEU  60           HN       LEU  60   4.201   3.094  -4.373
  490    HA   LEU  60           HA       LEU  60   3.738   5.898  -3.798
  491    HB2  LEU  60           HB2      LEU  60   5.445   3.740  -2.535
  492    HB3  LEU  60           HB1      LEU  60   5.370   5.379  -1.967
  493    HG   LEU  60           HG       LEU  60   3.105   3.405  -1.980
  494   HD11  LEU  60          HD11      LEU  60   3.271   3.591   0.455
  495   HD12  LEU  60          HD12      LEU  60   4.675   4.642   0.271
  496   HD13  LEU  60          HD13      LEU  60   4.754   2.964  -0.264
  497   HD21  LEU  60          HD21      LEU  60   2.230   5.614  -2.402
  498   HD22  LEU  60          HD22      LEU  60   3.167   6.275  -1.063
  499   HD23  LEU  60          HD23      LEU  60   1.857   5.136  -0.747
  500    H    LYS  61           HN       LYS  61   6.110   6.954  -3.156
  501    HA   LYS  61           HA       LYS  61   7.473   7.502  -5.522
  502    HB2  LYS  61           HB2      LYS  61   8.806   7.358  -2.864
  503    HB3  LYS  61           HB1      LYS  61   9.125   8.506  -4.161
  504    HG2  LYS  61           HG2      LYS  61   6.836   9.470  -3.681
  505    HG3  LYS  61           HG1      LYS  61   6.834   8.486  -2.215
  506    HD2  LYS  61           HD2      LYS  61   8.825  10.629  -2.961
  507    HD3  LYS  61           HD1      LYS  61   7.613  10.710  -1.684
  508    HE2  LYS  61           HE2      LYS  61   8.735   9.041  -0.405
  509    HE3  LYS  61           HE1      LYS  61   9.818   8.659  -1.742
  510    HZ1  LYS  61           HZ1      LYS  61  10.770  10.879  -1.541
  511    HZ2  LYS  61           HZ2      LYS  61  10.933  10.012  -0.100
  512    HZ3  LYS  61           HZ3      LYS  61   9.754  11.215  -0.234
  513    H    ASN  62           HN       ASN  62   8.258   5.462  -2.795
  514    HA   ASN  62           HA       ASN  62  10.733   4.728  -3.827
  515    HB2  ASN  62           HB2      ASN  62   9.251   3.702  -1.527
  516    HB3  ASN  62           HB1      ASN  62  10.901   3.269  -1.861
  517   HD21  ASN  62          HD21      ASN  62  11.591   5.950  -2.781
  518   HD22  ASN  62          HD22      ASN  62  11.683   6.928  -1.358
  519    H    VAL  63           HN       VAL  63   7.793   2.933  -3.143
  520    HA   VAL  63           HA       VAL  63   8.490   0.934  -5.139
  521    HB   VAL  63           HB       VAL  63   9.410   0.242  -2.954
  522   HG11  VAL  63          HG11      VAL  63   6.540   0.238  -2.064
  523   HG12  VAL  63          HG12      VAL  63   7.825   1.295  -1.484
  524   HG13  VAL  63          HG13      VAL  63   7.891  -0.437  -1.152
  525   HG21  VAL  63          HG21      VAL  63   8.483  -2.028  -2.922
  526   HG22  VAL  63          HG22      VAL  63   8.786  -1.470  -4.567
  527   HG23  VAL  63          HG23      VAL  63   7.141  -1.487  -3.930
  528    H    THR  64           HN       THR  64   6.721  -0.409  -5.744
  529    HA   THR  64           HA       THR  64   4.061   0.715  -5.176
  530    HB   THR  64           HB       THR  64   4.977  -1.022  -7.482
  531    HG1  THR  64           HG1      THR  64   5.547   1.416  -7.232
  532   HG21  THR  64          HG21      THR  64   2.629  -1.382  -6.958
  533   HG22  THR  64          HG22      THR  64   2.789  -0.488  -8.470
  534   HG23  THR  64          HG23      THR  64   2.337   0.357  -6.990
  535    H    LEU  65           HN       LEU  65   2.954  -0.467  -3.674
  536    HA   LEU  65           HA       LEU  65   3.571  -3.327  -3.493
  537    HB2  LEU  65           HB2      LEU  65   2.080  -1.510  -1.613
  538    HB3  LEU  65           HB1      LEU  65   2.015  -3.251  -1.486
  539    HG   LEU  65           HG       LEU  65   4.648  -3.047  -1.574
  540   HD11  LEU  65          HD11      LEU  65   4.701  -0.612  -1.795
  541   HD12  LEU  65          HD12      LEU  65   5.492  -1.139  -0.301
  542   HD13  LEU  65          HD13      LEU  65   3.860  -0.454  -0.254
  543   HD21  LEU  65          HD21      LEU  65   4.651  -3.142   0.876
  544   HD22  LEU  65          HD22      LEU  65   3.418  -4.168   0.148
  545   HD23  LEU  65          HD23      LEU  65   2.963  -2.629   0.879
  546    H    ARG  66           HN       ARG  66   2.109  -4.896  -3.693
  547    HA   ARG  66           HA       ARG  66  -0.626  -4.122  -4.381
  548    HB2  ARG  66           HB2      ARG  66   0.584  -4.458  -6.382
  549    HB3  ARG  66           HB1      ARG  66   1.105  -6.051  -5.940
  550    HG2  ARG  66           HG2      ARG  66  -1.780  -5.294  -6.295
  551    HG3  ARG  66           HG1      ARG  66  -0.774  -5.807  -7.644
  552    HD2  ARG  66           HD2      ARG  66  -0.364  -7.936  -6.517
  553    HD3  ARG  66           HD1      ARG  66  -1.367  -7.405  -5.166
  554    HE   ARG  66           HE       ARG  66  -2.982  -7.147  -7.341
  555   HH11  ARG  66          HH11      ARG  66  -1.114  -9.779  -6.008
  556   HH12  ARG  66          HH12      ARG  66  -2.244 -10.999  -6.513
  557   HH21  ARG  66          HH21      ARG  66  -4.471  -8.758  -8.019
  558   HH22  ARG  66          HH22      ARG  66  -4.120 -10.429  -7.664
  559    H    ALA  67           HN       ALA  67  -2.085  -5.420  -3.637
  560    HA   ALA  67           HA       ALA  67  -1.386  -8.117  -2.662
  561    HB1  ALA  67           HB1      ALA  67  -2.546  -7.793  -0.467
  562    HB2  ALA  67           HB2      ALA  67  -2.569  -6.060  -0.782
  563    HB3  ALA  67           HB3      ALA  67  -1.039  -6.910  -0.629
  564    H    GLU  68           HN       GLU  68  -3.299  -9.422  -2.042
  565    HA   GLU  68           HA       GLU  68  -5.878  -8.434  -2.947
  566    HB2  GLU  68           HB2      GLU  68  -6.197 -10.460  -4.391
  567    HB3  GLU  68           HB1      GLU  68  -5.005  -9.323  -5.013
  568    HG2  GLU  68           HG2      GLU  68  -3.215 -10.699  -4.435
  569    HG3  GLU  68           HG1      GLU  68  -4.197 -11.672  -3.343
  570    H    GLU  69           HN       GLU  69  -7.600  -9.616  -2.067
  571    HA   GLU  69           HA       GLU  69  -7.126 -12.144  -0.761
  572    HB2  GLU  69           HB2      GLU  69  -6.495 -10.578   1.041
  573    HB3  GLU  69           HB1      GLU  69  -8.057  -9.784   0.893
  574    HG2  GLU  69           HG2      GLU  69  -9.195 -11.765   1.639
  575    HG3  GLU  69           HG1      GLU  69  -7.689 -12.678   1.633
  576    H    ARG  70           HN       ARG  70  -9.055 -13.327  -0.514
  577    HA   ARG  70           HA       ARG  70 -11.319 -12.037  -1.875
  578    HB2  ARG  70           HB2      ARG  70 -11.936 -14.208  -2.732
  579    HB3  ARG  70           HB1      ARG  70 -10.246 -13.894  -3.098
  580    HG2  ARG  70           HG2      ARG  70  -9.561 -15.335  -1.264
  581    HG3  ARG  70           HG1      ARG  70 -11.252 -15.632  -0.858
  582    HD2  ARG  70           HD2      ARG  70 -11.566 -16.571  -3.138
  583    HD3  ARG  70           HD1      ARG  70  -9.832 -16.399  -3.403
  584    HE   ARG  70           HE       ARG  70  -9.983 -17.839  -1.113
  585   HH11  ARG  70          HH11      ARG  70 -11.370 -18.232  -4.294
  586   HH12  ARG  70          HH12      ARG  70 -11.433 -19.959  -4.194
  587   HH21  ARG  70          HH21      ARG  70 -10.051 -20.109  -0.978
  588   HH22  ARG  70          HH22      ARG  70 -10.675 -21.031  -2.309
  589    H    ASN  71           HN       ASN  71 -13.231 -11.989  -1.034
  590    HA   ASN  71           HA       ASN  71 -14.670 -11.737   0.723
  591    HB2  ASN  71           HB2      ASN  71 -15.902 -13.948   1.086
  592    HB3  ASN  71           HB1      ASN  71 -15.830 -13.328  -0.543
  593   HD21  ASN  71          HD21      ASN  71 -16.238 -15.846   0.823
  594   HD22  ASN  71          HD22      ASN  71 -15.204 -16.914   0.011
  595    H    ASP  72           HN       ASP  72 -12.766 -11.232   2.253
  596    HA   ASP  72           HA       ASP  72 -13.512 -12.775   4.614
  597    HB2  ASP  72           HB2      ASP  72 -11.237 -13.550   3.669
  598    HB3  ASP  72           HB1      ASP  72 -10.624 -12.019   4.290
  599    H    ASP  73           HN       ASP  73 -10.963 -10.309   4.338
  600    HA   ASP  73           HA       ASP  73 -12.733  -8.227   5.405
  601    HB2  ASP  73           HB2      ASP  73 -11.976  -9.455   7.437
  602    HB3  ASP  73           HB1      ASP  73 -10.304  -9.151   6.976
  603    H    LEU  74           HN       LEU  74 -12.504  -7.009   3.985
  604    HA   LEU  74           HA       LEU  74 -10.738  -5.839   2.474
  605    HB2  LEU  74           HB2      LEU  74 -12.918  -4.977   2.853
  606    HB3  LEU  74           HB1      LEU  74 -12.553  -4.803   4.565
  607    HG   LEU  74           HG       LEU  74 -11.239  -2.835   4.160
  608   HD11  LEU  74          HD11      LEU  74 -11.584  -3.443   1.233
  609   HD12  LEU  74          HD12      LEU  74 -10.079  -3.410   2.162
  610   HD13  LEU  74          HD13      LEU  74 -10.970  -1.916   1.868
  611   HD21  LEU  74          HD21      LEU  74 -13.640  -2.487   4.266
  612   HD22  LEU  74          HD22      LEU  74 -13.769  -2.733   2.525
  613   HD23  LEU  74          HD23      LEU  74 -12.897  -1.337   3.155
  614    H    TYR  75           HN       TYR  75 -10.993  -5.126   5.904
  615    HA   TYR  75           HA       TYR  75  -9.063  -3.117   5.677
  616    HB2  TYR  75           HB2      TYR  75 -10.491  -4.295   8.055
  617    HB3  TYR  75           HB1      TYR  75  -9.262  -3.047   8.218
  618    HD1  TYR  75           HD1      TYR  75  -9.731  -1.424   5.981
  619    HD2  TYR  75           HD2      TYR  75 -12.348  -3.431   8.582
  620    HE1  TYR  75           HE1      TYR  75 -11.382   0.211   5.551
  621    HE2  TYR  75           HE2      TYR  75 -14.017  -1.816   8.176
  622    HH   TYR  75           HH       TYR  75 -13.998   0.346   5.636
  623    H    ALA  76           HN       ALA  76  -9.079  -6.435   6.172
  624    HA   ALA  76           HA       ALA  76  -6.501  -6.684   7.460
  625    HB1  ALA  76           HB1      ALA  76  -8.429  -8.258   7.837
  626    HB2  ALA  76           HB2      ALA  76  -6.909  -9.029   7.377
  627    HB3  ALA  76           HB3      ALA  76  -8.189  -8.811   6.176
  628    H    GLY  77           HN       GLY  77  -8.039  -6.913   4.306
  629    HA2  GLY  77           HA2      GLY  77  -5.800  -8.024   2.950
  630    HA3  GLY  77           HA1      GLY  77  -7.150  -7.137   2.243
  631    H    ILE  78           HN       ILE  78  -7.022  -4.724   3.309
  632    HA   ILE  78           HA       ILE  78  -4.819  -3.603   2.051
  633    HB   ILE  78           HB       ILE  78  -6.990  -2.337   3.721
  634   HG12  ILE  78          HG12      ILE  78  -6.484  -2.496   0.742
  635   HG13  ILE  78          HG11      ILE  78  -7.757  -3.322   1.632
  636   HG21  ILE  78          HG21      ILE  78  -6.249  -0.174   2.837
  637   HG22  ILE  78          HG22      ILE  78  -4.875  -0.962   2.061
  638   HG23  ILE  78          HG23      ILE  78  -4.994  -0.928   3.821
  639   HD11  ILE  78          HD11      ILE  78  -7.494  -0.347   1.271
  640   HD12  ILE  78          HD12      ILE  78  -8.768  -1.167   2.174
  641   HD13  ILE  78          HD13      ILE  78  -8.627  -1.407   0.432
  642    H    ASP  79           HN       ASP  79  -5.526  -4.288   5.499
  643    HA   ASP  79           HA       ASP  79  -3.059  -2.988   6.404
  644    HB2  ASP  79           HB2      ASP  79  -5.148  -4.650   7.731
  645    HB3  ASP  79           HB1      ASP  79  -3.543  -4.577   8.455
  646    H    LEU  80           HN       LEU  80  -3.887  -6.134   5.170
  647    HA   LEU  80           HA       LEU  80  -1.390  -7.271   5.779
  648    HB2  LEU  80           HB2      LEU  80  -3.408  -8.391   4.631
  649    HB3  LEU  80           HB1      LEU  80  -2.847  -7.635   3.155
  650    HG   LEU  80           HG       LEU  80  -1.104  -9.504   4.756
  651   HD11  LEU  80          HD11      LEU  80  -1.781 -11.259   3.185
  652   HD12  LEU  80          HD12      LEU  80  -2.985 -10.170   2.497
  653   HD13  LEU  80          HD13      LEU  80  -3.131 -10.702   4.171
  654   HD21  LEU  80          HD21      LEU  80   0.069  -9.765   2.631
  655   HD22  LEU  80          HD22      LEU  80   0.036  -8.073   3.125
  656   HD23  LEU  80          HD23      LEU  80  -1.054  -8.645   1.862
  657    H    ILE  81           HN       ILE  81  -2.508  -5.502   2.879
  658    HA   ILE  81           HA       ILE  81   0.111  -5.159   1.914
  659    HB   ILE  81           HB       ILE  81  -2.220  -4.875   0.737
  660   HG12  ILE  81          HG12      ILE  81  -0.996  -4.168  -1.127
  661   HG13  ILE  81          HG11      ILE  81  -0.041  -3.024  -0.196
  662   HG21  ILE  81          HG21      ILE  81  -1.476  -2.000   1.223
  663   HG22  ILE  81          HG22      ILE  81  -2.758  -2.840   2.091
  664   HG23  ILE  81          HG23      ILE  81  -2.875  -2.622   0.348
  665   HD11  ILE  81          HD11      ILE  81   1.120  -5.096  -1.132
  666   HD12  ILE  81          HD12      ILE  81   0.295  -5.982   0.149
  667   HD13  ILE  81          HD13      ILE  81   1.412  -4.684   0.555
  668    H    ASN  82           HN       ASN  82  -1.689  -3.168   4.176
  669    HA   ASN  82           HA       ASN  82  -0.055  -0.827   3.777
  670    HB2  ASN  82           HB2      ASN  82  -2.355  -0.540   4.497
  671    HB3  ASN  82           HB1      ASN  82  -2.073  -1.548   5.905
  672   HD21  ASN  82          HD21      ASN  82  -1.118  -0.696   7.703
  673   HD22  ASN  82          HD22      ASN  82  -0.781   0.989   7.881
  674    H    ASN  83           HN       ASN  83  -0.247  -3.470   6.026
  675    HA   ASN  83           HA       ASN  83   1.708  -2.341   7.812
  676    HB2  ASN  83           HB2      ASN  83   0.708  -3.799   9.195
  677    HB3  ASN  83           HB1      ASN  83  -0.357  -4.238   7.826
  678   HD21  ASN  83          HD21      ASN  83   2.475  -5.122   9.710
  679   HD22  ASN  83          HD22      ASN  83   2.577  -6.756   9.151
  680    H    LYS  84           HN       LYS  84   1.494  -4.867   5.350
  681    HA   LYS  84           HA       LYS  84   4.265  -5.503   5.278
  682    HB2  LYS  84           HB2      LYS  84   2.409  -6.787   4.127
  683    HB3  LYS  84           HB1      LYS  84   2.363  -5.509   2.926
  684    HG2  LYS  84           HG2      LYS  84   3.647  -7.308   2.044
  685    HG3  LYS  84           HG1      LYS  84   4.749  -5.981   2.413
  686    HD2  LYS  84           HD2      LYS  84   5.715  -8.091   3.124
  687    HD3  LYS  84           HD1      LYS  84   5.347  -7.092   4.530
  688    HE2  LYS  84           HE2      LYS  84   3.273  -8.359   4.872
  689    HE3  LYS  84           HE1      LYS  84   3.659  -9.361   3.475
  690    HZ1  LYS  84           HZ1      LYS  84   5.275  -9.158   5.955
  691    HZ2  LYS  84           HZ2      LYS  84   5.636 -10.130   4.619
  692    HZ3  LYS  84           HZ3      LYS  84   4.257 -10.444   5.544
  693    H    LEU  85           HN       LEU  85   2.332  -2.920   3.965
  694    HA   LEU  85           HA       LEU  85   4.183  -1.777   2.204
  695    HB2  LEU  85           HB2      LEU  85   1.791  -1.134   2.339
  696    HB3  LEU  85           HB1      LEU  85   2.099  -0.378   3.886
  697    HG   LEU  85           HG       LEU  85   3.686   0.581   1.562
  698   HD11  LEU  85          HD11      LEU  85   1.847   2.104   0.930
  699   HD12  LEU  85          HD12      LEU  85   0.768   1.203   1.995
  700   HD13  LEU  85          HD13      LEU  85   1.483   0.413   0.592
  701   HD21  LEU  85          HD21      LEU  85   4.061   1.522   3.775
  702   HD22  LEU  85          HD22      LEU  85   2.350   1.923   3.913
  703   HD23  LEU  85          HD23      LEU  85   3.352   2.733   2.708
  704    H    GLU  86           HN       GLU  86   3.423  -0.853   5.567
  705    HA   GLU  86           HA       GLU  86   5.531   0.855   5.976
  706    HB2  GLU  86           HB2      GLU  86   4.166  -1.105   7.796
  707    HB3  GLU  86           HB1      GLU  86   5.421  -0.020   8.387
  708    HG2  GLU  86           HG2      GLU  86   4.047   1.889   7.574
  709    HG3  GLU  86           HG1      GLU  86   2.774   0.737   7.171
  710    H    ARG  87           HN       ARG  87   5.471  -2.696   6.358
  711    HA   ARG  87           HA       ARG  87   8.143  -2.962   7.136
  712    HB2  ARG  87           HB2      ARG  87   6.445  -4.685   7.370
  713    HB3  ARG  87           HB1      ARG  87   6.538  -4.893   5.651
  714    HG2  ARG  87           HG2      ARG  87   7.794  -6.620   6.836
  715    HG3  ARG  87           HG1      ARG  87   8.825  -5.644   5.788
  716    HD2  ARG  87           HD2      ARG  87   9.839  -6.063   7.998
  717    HD3  ARG  87           HD1      ARG  87   9.592  -4.349   7.680
  718    HE   ARG  87           HE       ARG  87   7.389  -5.472   9.095
  719   HH11  ARG  87          HH11      ARG  87  10.678  -4.340   9.516
  720   HH12  ARG  87          HH12      ARG  87  10.454  -3.920  11.184
  721   HH21  ARG  87          HH21      ARG  87   7.089  -4.906  11.288
  722   HH22  ARG  87          HH22      ARG  87   8.413  -4.232  12.189
  723    H    GLN  88           HN       GLN  88   6.774  -2.846   3.887
  724    HA   GLN  88           HA       GLN  88   9.255  -3.870   2.722
  725    HB2  GLN  88           HB2      GLN  88   6.476  -3.802   1.956
  726    HB3  GLN  88           HB1      GLN  88   7.447  -3.038   0.709
  727    HG2  GLN  88           HG2      GLN  88   7.807  -5.822   1.796
  728    HG3  GLN  88           HG1      GLN  88   7.127  -5.386   0.230
  729   HE21  GLN  88          HE21      GLN  88  10.000  -5.753   2.103
  730   HE22  GLN  88          HE22      GLN  88  11.129  -5.534   0.812
  731    H    VAL  89           HN       VAL  89   7.120  -1.147   2.589
  732    HA   VAL  89           HA       VAL  89   8.494   0.591   1.016
  733    HB   VAL  89           HB       VAL  89   6.581   0.849   3.251
  734   HG11  VAL  89          HG11      VAL  89   7.988   3.230   2.000
  735   HG12  VAL  89          HG12      VAL  89   8.077   2.733   3.690
  736   HG13  VAL  89          HG13      VAL  89   6.555   3.321   3.022
  737   HG21  VAL  89          HG21      VAL  89   5.259   1.975   1.501
  738   HG22  VAL  89          HG22      VAL  89   5.778   0.357   1.036
  739   HG23  VAL  89          HG23      VAL  89   6.603   1.769   0.378
  740    H    ARG  90           HN       ARG  90   8.720   0.142   4.501
  741    HA   ARG  90           HA       ARG  90  10.824   2.018   4.852
  742    HB2  ARG  90           HB2      ARG  90   9.877  -0.226   6.600
  743    HB3  ARG  90           HB1      ARG  90  11.301   0.738   6.999
  744    HG2  ARG  90           HG2      ARG  90   9.900   2.768   6.947
  745    HG3  ARG  90           HG1      ARG  90   8.487   1.762   6.626
  746    HD2  ARG  90           HD2      ARG  90  10.252   1.596   9.063
  747    HD3  ARG  90           HD1      ARG  90   8.665   2.358   8.997
  748    HE   ARG  90           HE       ARG  90   8.260  -0.208   8.132
  749   HH11  ARG  90          HH11      ARG  90   9.594   1.261  11.017
  750   HH12  ARG  90          HH12      ARG  90   9.054  -0.009  12.070
  751   HH21  ARG  90          HH21      ARG  90   7.565  -1.903   9.520
  752   HH22  ARG  90          HH22      ARG  90   7.909  -1.806  11.218
  753    H    LYS  91           HN       LYS  91  10.839  -1.528   4.404
  754    HA   LYS  91           HA       LYS  91  13.566  -1.818   4.805
  755    HB2  LYS  91           HB2      LYS  91  11.591  -3.376   3.466
  756    HB3  LYS  91           HB1      LYS  91  13.247  -3.824   3.211
  757    HG2  LYS  91           HG2      LYS  91  13.440  -3.893   5.731
  758    HG3  LYS  91           HG1      LYS  91  11.683  -3.752   5.779
  759    HD2  LYS  91           HD2      LYS  91  12.220  -6.067   5.949
  760    HD3  LYS  91           HD1      LYS  91  11.569  -5.794   4.332
  761    HE2  LYS  91           HE2      LYS  91  13.812  -5.761   3.407
  762    HE3  LYS  91           HE1      LYS  91  14.503  -5.932   5.019
  763    HZ1  LYS  91           HZ1      LYS  91  14.474  -8.040   3.878
  764    HZ2  LYS  91           HZ2      LYS  91  12.808  -7.929   3.624
  765    HZ3  LYS  91           HZ3      LYS  91  13.414  -8.094   5.194
  766    H    TYR  92           HN       TYR  92  11.733  -0.973   1.994
  767    HA   TYR  92           HA       TYR  92  13.946  -1.079   0.186
  768    HB2  TYR  92           HB2      TYR  92  11.490  -1.221  -0.455
  769    HB3  TYR  92           HB1      TYR  92  11.417   0.522  -0.214
  770    HD1  TYR  92           HD1      TYR  92  12.646   2.038  -1.732
  771    HD2  TYR  92           HD2      TYR  92  12.572  -2.166  -2.377
  772    HE1  TYR  92           HE1      TYR  92  13.461   2.381  -4.027
  773    HE2  TYR  92           HE2      TYR  92  13.386  -1.836  -4.672
  774    HH   TYR  92           HH       TYR  92  13.382  -0.024  -6.386
  775    H    LYS  93           HN       LYS  93  12.200   1.659   1.715
  776    HA   LYS  93           HA       LYS  93  13.925   3.614   0.599
  777    HB2  LYS  93           HB2      LYS  93  12.862   5.221   2.029
  778    HB3  LYS  93           HB1      LYS  93  11.635   4.124   1.422
  779    HG2  LYS  93           HG2      LYS  93  11.433   3.045   3.493
  780    HG3  LYS  93           HG1      LYS  93  12.907   3.782   4.117
  781    HD2  LYS  93           HD2      LYS  93  11.012   4.888   5.100
  782    HD3  LYS  93           HD1      LYS  93  11.791   5.998   3.971
  783    HE2  LYS  93           HE2      LYS  93  10.107   5.443   2.279
  784    HE3  LYS  93           HE1      LYS  93   9.329   4.346   3.420
  785    HZ1  LYS  93           HZ1      LYS  93   9.551   7.294   3.613
  786    HZ2  LYS  93           HZ2      LYS  93   9.062   6.320   4.906
  787    HZ3  LYS  93           HZ3      LYS  93   8.140   6.362   3.494
  788    H    THR  94           HN       THR  94  13.935   1.876   3.664
  789    HA   THR  94           HA       THR  94  16.063   3.370   4.798
  790    HB   THR  94           HB       THR  94  14.775   0.731   5.495
  791    HG1  THR  94           HG1      THR  94  14.613   3.368   6.294
  792   HG21  THR  94          HG21      THR  94  17.124   2.012   6.911
  793   HG22  THR  94          HG22      THR  94  17.145   0.471   6.053
  794   HG23  THR  94          HG23      THR  94  16.177   0.652   7.517
  795    H    ARG  95           HN       ARG  95  15.927   0.284   3.000
  796    HA   ARG  95           HA       ARG  95  18.683  -0.266   3.123
  797    HB2  ARG  95           HB2      ARG  95  17.220  -1.999   2.377
  798    HB3  ARG  95           HB1      ARG  95  16.599  -1.004   1.071
  799    HG2  ARG  95           HG2      ARG  95  18.101  -2.724   0.240
  800    HG3  ARG  95           HG1      ARG  95  18.750  -1.112  -0.061
  801    HD2  ARG  95           HD2      ARG  95  20.214  -1.350   1.894
  802    HD3  ARG  95           HD1      ARG  95  19.572  -2.969   2.171
  803    HE   ARG  95           HE       ARG  95  20.451  -3.274  -0.285
  804   HH11  ARG  95          HH11      ARG  95  22.007  -1.571   2.354
  805   HH12  ARG  95          HH12      ARG  95  23.613  -1.897   1.782
  806   HH21  ARG  95          HH21      ARG  95  22.563  -3.707  -1.034
  807   HH22  ARG  95          HH22      ARG  95  23.930  -3.129  -0.135
  808    H    ILE  96           HN       ILE  96  16.790   1.521   0.659
  809    HA   ILE  96           HA       ILE  96  19.093   2.072  -0.917
  810    HB   ILE  96           HB       ILE  96  16.754   2.156  -1.807
  811   HG12  ILE  96          HG12      ILE  96  17.143   4.147  -3.263
  812   HG13  ILE  96          HG11      ILE  96  18.478   4.608  -2.212
  813   HG21  ILE  96          HG21      ILE  96  16.651   4.830  -0.428
  814   HG22  ILE  96          HG22      ILE  96  15.728   3.399   0.026
  815   HG23  ILE  96          HG23      ILE  96  15.438   4.177  -1.530
  816   HD11  ILE  96          HD11      ILE  96  18.306   2.057  -3.796
  817   HD12  ILE  96          HD12      ILE  96  19.660   2.570  -2.788
  818   HD13  ILE  96          HD13      ILE  96  19.242   3.485  -4.238
  819    H    ASN  97           HN       ASN  97  17.561   3.705   1.779
  820    HA   ASN  97           HA       ASN  97  18.955   6.155   1.589
  821    HB2  ASN  97           HB2      ASN  97  16.949   5.775   3.027
  822    HB3  ASN  97           HB1      ASN  97  17.942   4.797   4.100
  823   HD21  ASN  97          HD21      ASN  97  19.030   7.727   2.504
  824   HD22  ASN  97          HD22      ASN  97  19.176   8.674   3.941
  825    H    ARG  98           HN       ARG  98  19.638   3.170   3.414
  826    HA   ARG  98           HA       ARG  98  22.124   4.128   4.452
  827    HB2  ARG  98           HB2      ARG  98  21.138   1.289   4.125
  828    HB3  ARG  98           HB1      ARG  98  22.529   1.777   5.082
  829    HG2  ARG  98           HG2      ARG  98  19.656   2.523   5.588
  830    HG3  ARG  98           HG1      ARG  98  20.623   1.369   6.507
  831    HD2  ARG  98           HD2      ARG  98  22.145   3.179   7.156
  832    HD3  ARG  98           HD1      ARG  98  21.155   4.325   6.255
  833    HE   ARG  98           HE       ARG  98  20.048   2.782   8.502
  834   HH11  ARG  98          HH11      ARG  98  20.719   5.839   6.937
  835   HH12  ARG  98          HH12      ARG  98  19.797   6.771   8.073
  836   HH21  ARG  98          HH21      ARG  98  18.825   4.008   9.997
  837   HH22  ARG  98          HH22      ARG  98  18.711   5.730   9.802
  838    H    LYS  99           HN       LYS  99  21.169   2.535   1.518
  839    HA   LYS  99           HA       LYS  99  23.801   1.743   0.723
  840    HB2  LYS  99           HB2      LYS  99  21.609   0.724  -0.053
  841    HB3  LYS  99           HB1      LYS  99  21.398   2.150  -1.059
  842    HG2  LYS  99           HG2      LYS  99  23.465   1.612  -2.250
  843    HG3  LYS  99           HG1      LYS  99  23.664   0.176  -1.245
  844    HD2  LYS  99           HD2      LYS  99  21.486  -0.656  -2.075
  845    HD3  LYS  99           HD1      LYS  99  21.389   0.742  -3.144
  846    HE2  LYS  99           HE2      LYS  99  23.495  -1.415  -3.190
  847    HE3  LYS  99           HE1      LYS  99  22.199  -1.190  -4.364
  848    HZ1  LYS  99           HZ1      LYS  99  24.521   0.592  -3.872
  849    HZ2  LYS  99           HZ2      LYS  99  23.192   1.036  -4.827
  850    HZ3  LYS  99           HZ3      LYS  99  24.156  -0.273  -5.285
  851    H    SER 100           HN       SER 100  21.867   4.616   0.426
  852    HA   SER 100           HA       SER 100  23.515   5.768  -1.646
  853    HB2  SER 100           HB2      SER 100  21.277   6.983  -0.017
  854    HB3  SER 100           HB1      SER 100  22.057   7.741  -1.406
  855    HG   SER 100           HG       SER 100  20.589   5.302  -1.394
  856    H    ARG 101           HN       ARG 101  24.716   5.046   0.956
  857    HA   ARG 101           HA       ARG 101  25.592   7.608   2.003
  858    HB2  ARG 101           HB2      ARG 101  26.225   4.745   2.677
  859    HB3  ARG 101           HB1      ARG 101  27.186   6.065   3.326
  860    HG2  ARG 101           HG2      ARG 101  24.208   5.837   3.680
  861    HG3  ARG 101           HG1      ARG 101  25.390   5.223   4.835
  862    HD2  ARG 101           HD2      ARG 101  26.340   7.540   4.950
  863    HD3  ARG 101           HD1      ARG 101  24.967   8.082   3.987
  864    HE   ARG 101           HE       ARG 101  23.636   6.991   5.932
  865   HH11  ARG 101          HH11      ARG 101  26.608   8.814   6.183
  866   HH12  ARG 101          HH12      ARG 101  26.301   9.349   7.804
  867   HH21  ARG 101          HH21      ARG 101  23.213   7.708   8.071
  868   HH22  ARG 101          HH22      ARG 101  24.377   8.702   8.884
  869    H    ASP 102           HN       ASP 102  26.090   6.275  -0.763
  870    HA   ASP 102           HA       ASP 102  27.643   6.341  -2.390
  871    HB2  ASP 102           HB2      ASP 102  28.984   8.278  -0.502
  872    HB3  ASP 102           HB1      ASP 102  29.557   7.950  -2.135
  873    H    ARG 103           HN       ARG 103  27.724   4.119  -1.092
  874    HA   ARG 103           HA       ARG 103  30.357   3.468  -0.109
  875    HB2  ARG 103           HB2      ARG 103  27.972   1.746  -0.822
  876    HB3  ARG 103           HB1      ARG 103  29.463   1.126  -0.133
  877    HG2  ARG 103           HG2      ARG 103  27.709   3.169   1.207
  878    HG3  ARG 103           HG1      ARG 103  27.625   1.432   1.505
  879    HD2  ARG 103           HD2      ARG 103  30.000   1.471   2.177
  880    HD3  ARG 103           HD1      ARG 103  30.007   3.221   1.962
  881    HE   ARG 103           HE       ARG 103  27.953   2.754   3.698
  882   HH11  ARG 103          HH11      ARG 103  31.365   1.968   3.648
  883   HH12  ARG 103          HH12      ARG 103  31.524   1.997   5.376
  884   HH21  ARG 103          HH21      ARG 103  28.155   2.798   5.957
  885   HH22  ARG 103          HH22      ARG 103  29.694   2.478   6.692
  886    H    GLY 104           HN       GLY 104  28.593   3.400  -3.088
  887    HA2  GLY 104           HA2      GLY 104  29.256   2.929  -5.239
  888    HA3  GLY 104           HA1      GLY 104  30.911   2.840  -4.648
  889    H    ASP 105           HN       ASP 105  27.872   1.035  -4.398
  890    HA   ASP 105           HA       ASP 105  29.063  -1.391  -3.614
  891    HB2  ASP 105           HB2      ASP 105  26.406  -0.991  -5.004
  892    HB3  ASP 105           HB1      ASP 105  26.894  -2.408  -4.084
  893    H    GLN 106           HN       GLN 106  28.372   0.001  -6.731
  894    HA   GLN 106           HA       GLN 106  28.941  -2.440  -8.164
  895    HB2  GLN 106           HB2      GLN 106  28.511   0.394  -9.121
  896    HB3  GLN 106           HB1      GLN 106  28.736  -0.990 -10.181
  897    HG2  GLN 106           HG2      GLN 106  26.712  -2.013  -9.289
  898    HG3  GLN 106           HG1      GLN 106  26.488  -0.634  -8.213
  899   HE21  GLN 106          HE21      GLN 106  25.826   1.326  -9.056
  900   HE22  GLN 106          HE22      GLN 106  25.153   1.467 -10.642
  901    H    GLU 107           HN       GLU 107  30.478   0.772  -7.931
  902    HA   GLU 107           HA       GLU 107  32.936  -0.412  -8.999
  903    HB2  GLU 107           HB2      GLU 107  32.282   2.503  -8.543
  904    HB3  GLU 107           HB1      GLU 107  33.678   1.865  -9.402
  905    HG2  GLU 107           HG2      GLU 107  30.795   1.696 -10.244
  906    HG3  GLU 107           HG1      GLU 107  32.069   2.660 -10.988
  907    H    VAL 108           HN       VAL 108  33.715  -1.474  -7.168
  908    HA   VAL 108           HA       VAL 108  34.228   0.201  -4.813
  909    HB   VAL 108           HB       VAL 108  34.592  -2.773  -4.804
  910   HG11  VAL 108          HG11      VAL 108  35.382  -1.514  -2.883
  911   HG12  VAL 108          HG12      VAL 108  34.011  -2.526  -2.437
  912   HG13  VAL 108          HG13      VAL 108  33.786  -0.795  -2.676
  913   HG21  VAL 108          HG21      VAL 108  32.267  -3.062  -4.077
  914   HG22  VAL 108          HG22      VAL 108  32.370  -2.458  -5.730
  915   HG23  VAL 108          HG23      VAL 108  31.955  -1.360  -4.414
  916    H    PHE 109           HN       PHE 109  35.709  -0.575  -7.498
  917    HA   PHE 109           HA       PHE 109  38.354  -0.667  -6.229
  918    HB2  PHE 109           HB2      PHE 109  37.459  -2.331  -8.590
  919    HB3  PHE 109           HB1      PHE 109  39.133  -2.170  -8.071
  920    HD1  PHE 109           HD1      PHE 109  39.725  -2.909  -5.715
  921    HD2  PHE 109           HD2      PHE 109  36.058  -3.930  -7.618
  922    HE1  PHE 109           HE1      PHE 109  39.413  -4.755  -4.120
  923    HE2  PHE 109           HE2      PHE 109  35.741  -5.777  -6.027
  924    HZ   PHE 109           HZ       PHE 109  37.420  -6.190  -4.272
  925    H    VAL 110           HN       VAL 110  37.231   1.674  -6.977
  926    HA   VAL 110           HA       VAL 110  38.774   2.362  -9.377
  927    HB   VAL 110           HB       VAL 110  36.455   2.555  -9.981
  928   HG11  VAL 110          HG11      VAL 110  34.886   4.022  -8.826
  929   HG12  VAL 110          HG12      VAL 110  36.108   4.378  -7.606
  930   HG13  VAL 110          HG13      VAL 110  35.467   2.743  -7.759
  931   HG21  VAL 110          HG21      VAL 110  37.937   4.249 -10.879
  932   HG22  VAL 110          HG22      VAL 110  37.652   5.276  -9.474
  933   HG23  VAL 110          HG23      VAL 110  36.335   4.929 -10.594