*HEADER    METAL BINDING PROTEIN                   02-FEB-08   2K0F              
*TITLE     SOLUTION ENSEMBLE OF CALMODULIN COMPLEXED 
*TITLE  2 WITH CALMODULIN-BINDING PEPTIDE FROM             
*TITLE    3 SMOOTH MUSCLE MYOSIN LIGHT CHAIN KINASE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 19-MER PEPTIDE FROM MYOSIN LIGHT CHAIN KINASE;             
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 SYNONYM: 19-MER PEPTIDE FROM TELOKIN; 19-MER PEPTIDE FROM            
*COMPND   9 KINASE-RELATED PROTEIN;                                              
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: CALM1, CALM, CAM, CAM1;                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: AR58;                                      
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN HUMANS                   
*KEYWDS    EF HANDS, BINDING, ENSEMBLE, HELIX BUNDLE, CALCIUM BINDING,           
*KEYWDS   2 METAL BINDING PROTEIN                                                
*EXPDTA    NMR, 160 STRUCTURES                                                   
*AUTHOR    J.GSPONER,J.CHRISTODOULOU,A.CAVALLI,J.M.BUI,B.RICHTER,                
*AUTHOR   2 C.M.DOBSON,M.VENDRUSCOLO                            
*REVDAT   1   10-JUN-08 2K0E    0

REMARK   S2 restraints
REMARK   References 
REMARK
REMARK 1. A.L. Lee, S.A. Kinnear and A.J. Wand
REMARK    (2000) Redistribution and loss of side chain entropy upon 
REMARK    formation of a multidimensional NMR.
REMARK   Nat. Struct. Biol. 7,72-7 

6 N 0.858
7 N 0.893
8 N 0.844
9 N 0.863
11 N 0.876
12 N 0.899
13 N 0.903
15 N 0.886
16 N 0.891
18 N 0.897
19 N 0.866
20 N 0.827
21 N 0.796
23 N 0.845
24 N 0.880
26 N 0.897
27 N 0.847
28 N 0.883
29 N 0.871
30 N 0.886
31 N 0.865
32 N 0.914
33 N 0.877
36 N 0.913
37 N 0.902
39 N 0.854
40 N 0.799
42 N 0.707
44 N 0.819
45 N 0.905
47 N 0.849
49 N 0.873
51 N 0.856
52 N 0.882
53 N 0.885
54 N 0.883
55 N 0.835
57 N 0.639
60 N 0.859
62 N 0.878
63 N 0.894
64 N 0.866
65 N 0.943
67 N 0.888
68 N 0.895
69 N 0.903
70 N 0.873
71 N 0.901
74 N 0.792
75 N 0.839
77 N 0.783
80 N 0.790
81 N 0.898
85 N 0.882
86 N 0.887
87 N 0.880
89 N 0.898
91 N 0.878
92 N 0.859
93 N 0.853
94 N 0.834
96 N 0.867
97 N 0.879
100 N 0.833
101 N 0.902
102 N 0.870
103 N 0.916
105 N 0.884
106 N 0.911
109 N 0.882
110 N 0.880
111 N 0.894
112 N 0.849
113 N 0.831
114 N 0.853
115 N 0.652
116 N 0.594
117 N 0.780
118 N 0.871
119 N 0.900
120 N 0.862
123 N 0.892
125 N 0.893
126 N 0.905
127 N 0.874
128 N 0.874
130 N 0.610
131 N 0.866
133 N 0.870
134 N 0.877
135 N 0.879
136 N 0.864
137 N 0.870
138 N 0.891
139 N 0.863
141 N 0.904
142 N 0.915
143 N 0.894
144 N 0.880
145 N 0.860
146 N 0.795
9 G 0.72
9 D 0.49
10 B 0.83
15 B 0.84
18 D1 0.22
18 D2 0.36
26 G 0.58
27 G 0.76
27 D 0.73
29 G 0.54
34 G 0.60
35 G1 0.65
35 G2 0.60
36 E 0.28
39 D1 0.44
39 D2 0.50
46 B 0.79
51 E 0.25
52 G 0.73
52 D 0.31
55 G1 0.42
55 G2 0.39
63 G 0.73
63 D 0.71
69 D1 0.32
70 G 0.63
71 E 0.38
72 E 0.68
73 B 0.75
76 E 0.09
79 G 0.36
85 G 0.60
85 D 0.30
88 B 0.83
91 G1 0.70
100 D 0.82
102 B 0.87
103 B 0.82
105 D1 0.54
108 G1 0.47
108 G2 0.43
109 E 0.32
110 G 0.62
112 D2 0.56
116 D1 0.18
121 G1 0.60
124 E 0.80
125 G 0.79
125 D 0.38
128 B 0.88
130 G 0.54
130 D 0.34
136 G1 0.78
142 G1 0.60
142 G2 0.56
144 E 0.36
145 E 0.27
146 G 0.47


#   upper distance limits
  1 ALA  
         HA      1 ALA  QB      3.20  #     2M   46500.0      Ce1n100g2374
         HA      2 ASP- HN      3.90  #     2    15930.0      290K_n102558
  2 ASP- 
         HN      2 ASP- HA      3.80  #     2    21580.0      Ce1n100g 147
         HN      2 ASP- HB2     3.30  #     2    48440.0      Ce1n100g 126
         HN      2 ASP- HB3     3.70  #     2    24460.0      Ce1n100g1868
         HA      2 ASP- HB2     3.20  #     2    53150.0      Ce1n100g 983
         HA      2 ASP- HB3     3.30  #     2    46160.0      Ce1n100g 237
         HA      3 GLN  HN      3.00  #     2    79060.0      Ce1n100g1112
         HB2     3 GLN  HN      4.30  #     2     9099.0      290K_n101116
  3 GLN  
         HN      3 GLN  HA      3.40  #     2    38760.0      Ce1n100g 186
         HN      3 GLN  HB2     4.00 >#     2    14670.0      290K_n10 188
         HN      3 GLN  HB3     3.40 <#     2    38940.0      Ce1n100g 189
         HN      3 GLN  QG      4.80  # m   1     9369.0*2    290K_n10 187
         HA      3 GLN  HB2     2.90 <#     2    95100.0      Ce1n100g 194
         HA      3 GLN  HB3     3.70 >#     2    23940.0      290K_n10 195
         HA      3 GLN  QG      4.20  # i   1    12030.0*2    Ce1n100g 193
         HA      4 LEU  HN      2.60  #     2   197300.0      Ce1n100g1108
         HA      4 LEU  HG      4.10  #     5    10732.5    ! 290K_n102839
         HB2     3 GLN  QG      3.20 <# m   1    82500.0*2    Ce1n100g 196
         HB2     4 LEU  HN      4.50  #     2     7596.0      290K_n101110
         HB3     3 GLN  QG      4.10 ># m   1    21895.0*2    Ce1n100g 197
         HB3     4 LEU  HN      4.10  #     2    11686.5      290K_n101167
         QG      4 LEU  HN      6.00  # m   5     3451.5*2    290K_n101111
  4 LEU  
         HN      4 LEU  HA      3.40  #     2    40300.0      Ce1n100g 206
         HN      4 LEU  HB2     3.60 >#     2    29488.5      290K_n10 209
         HN      4 LEU  HB3     2.90 <#     2   107200.0      Ce1n100g 208
         HN      4 LEU  HG      2.50  #     1    53290.0      Ce1n100g2515
         HN      4 LEU  QQD     6.80  # q   1M   18770.0*2    Ce1n100g 210
         HA      4 LEU  HB2     3.30  #     2    47150.0      Ce1n100g 219
         HA      4 LEU  HB3     3.20  #     2    58600.0      Ce1n100g 218
         HA      4 LEU  QQD     5.10  # s   1M   88050.0*2    Ce1n100g 220
         HA      5 THR  HN      2.70  #     2   154300.0    ! Ce1n100g1105
         HB2     4 LEU  QQD     4.90 >#     1M   76700.0*2    Ce1n100g 226
         HB2     5 THR  HN      3.70  #     2    21930.0      Ce1n100g2497
         HB2     8 GLN  HB2     3.70  #     5    21055.5      290K_n102441
         HB3     4 LEU  QQD     4.50 <#     1M  179400.0*2    Ce1n100g 223
         HB3     5 THR  HN      3.50  #     2    30910.0      Ce1n100g1107
         HG      4 LEU  QQD     4.90  #     1M   84850.0*2    Ce1n100g2516
         HG      5 THR  HN      4.00  #     5    12568.5      290K_n102521
         QQD     5 THR  HN      6.70  #     5M   12271.5*2    290K_n102353
  5 THR  
         HN      5 THR  HA      3.40  #     2    38970.0      Ce1n100g  67
         HN      5 THR  HB      4.40  #     2     8575.0      Ce1n100g  66
         HN      5 THR  QG2     3.20  #     1M  127500.0    ! Ce1n100g  70
         HN      8 GLN  HN      4.30  #     3    10363.5      290K_n102795
         HN      8 GLN  HB2     3.40  #     3    43220.0      Ce1n100g2271
         HA      5 THR  QG2     3.30  #     1M  121800.0      Ce1n100g  72
         HA      6 GLU- HN      2.80  #     2   138100.0      Ce1n100g1097
         HB      5 THR  QG2     3.00  #   s 1M  234600.0      Ce1n100g  71
         HB      6 GLU- HN      2.90  #     2    95820.0      Ce1n100g1100
         QG2     6 GLU- HN      4.40  #     5M   25620.0    ! Ce1n100g1103
  6 GLU- 
         HN      6 GLU- HA      3.20  #     2    57580.0      Ce1n100g  31
         HN      6 GLU- QB      3.70  # i   2    66700.0*2    Ce1n100g  35
         HN      6 GLU- HG2     3.20  #     1    19070.0      Ce1n100g  33
         HN      6 GLU- HG3     3.30  #     1    16398.0      290K_n10  34
         HN      7 GLU- HN      3.30  #     2    47810.0      Ce1n100g1098
         HN      9 ILE  QD1     7.00  #   w 5M    2965.0      Ce1n100g1906
         HA      6 GLU- QB      3.80  # m   2   137200.0*2    Ce1n100g  49
         HA      6 GLU- HG2     2.90  #     1    27250.0      Ce1n100g  48
         HA      6 GLU- HG3     3.10  #     1    20990.0      Ce1n100g  47
         HA      7 GLU- HN      3.90  #     2    16190.0      Ce1n100g1131
         HA      9 ILE  HN      4.20  #     3    12030.0      Ce1n100g1178
         HA      9 ILE  QG2     5.00  #     5M   15600.0      Ce1n100g2370
         HA      9 ILE  QD1     5.00  #     5M   15007.5    ! 290K_n102782
         HA     10 ALA  HN      5.00  #     3     4477.0      Ce1n100g2498
         QB      6 GLU- HG2     3.20 <# m   1    82500.0*2    Ce1n100g  53
         QB      6 GLU- HG3     3.70 ># m   1    40000.0*2    Ce1n100g 232
         QB      7 GLU- HN      4.70  # m   2    24547.5*2    290K_n101132
  7 GLU- 
         HN      7 GLU- HA      3.20  #     2    60230.0      Ce1n100g  98
         HN      7 GLU- HB2     2.90 <#     2   111800.0      Ce1n100g 101
         HN      7 GLU- HB3     3.50 >#     2    31729.5      290K_n10 102
         HN      7 GLU- HG2     2.80  #     1    31600.0      Ce1n100g 100
         HN      7 GLU- HG3     3.00  #     1    23110.0      Ce1n100g  99
         HN      8 GLN  HN      3.00  #     2    80090.0      Ce1n100g1134
         HA      7 GLU- HB2     3.30  #     2    50175.0      290K_n102641
         HA      7 GLU- HB3     3.10  #     2    64390.0      Ce1n100g 106
         HA      7 GLU- HG2     2.90 <#     1    26599.5      290K_n10 112
         HA      7 GLU- HG3     3.80 >#     1     9756.0      290K_n10 115
         HA      8 GLN  HN      3.70  #     2    23110.0      Ce1n100g1137
         HA     10 ALA  HN      4.20  #     3    12960.0      Ce1n100g1181
         HA     10 ALA  QB      3.40  #     3M   31410.0      Ce1n100g2381
         HB2     7 GLU- HG2     3.00  #     1    23200.0      Ce1n100g 123
         HB2     7 GLU- HG3     2.50  #     1    50300.0      Ce1n100g 119
         HB2     8 GLN  HN      3.50  #     2    31810.0      Ce1n100g1136
         HB3     7 GLU- HG2     3.10  #     1    20310.0      Ce1n100g 121
         HB3     7 GLU- HG3     3.70  #     1    10900.0      Ce1n100g 120
         HB3     8 GLN  HN      3.80  #     2    19417.5      290K_n101135
  8 GLN  
         HN      8 GLN  HA      3.30  #     2    47350.0      Ce1n100g 472
         HN      8 GLN  HB2     3.10  #     2    63000.0      Ce1n100g 473
         HN      8 GLN  HB3     3.50  #     2    34950.0      Ce1n100g 474
         HN      8 GLN  QG      4.30  # m   1    16325.0*2    Ce1n100g2502
         HN      9 ILE  HN      3.10  #     2    70400.0      Ce1n100g1170
         HA      8 GLN  HB2     3.20  #     2    56320.0      Ce1n100g 482
         HA      8 GLN  HB3     3.00  #     2    80000.0      Ce1n100g 481
         HA      8 GLN  QG      4.00  # i   1    14163.8*2    290K_n102751
         HA      9 ILE  HN      6.00  #   w 2     1126.0      Ce1n100g1169
         HA     11 GLU- HN      4.00  #     3    17793.0      290K_n101186
         HB2     9 ILE  HN      3.50  #     2    32710.0      Ce1n100g1172
         HB2    12 PHE  CZ      6.70  # r   5     4809.0*2    Ce1n100g2199
         HB3    12 PHE  CZ      6.20  # r   5     9616.5*2    290K_n102319
         QG      8 GLN  HE21    5.30 ># m   1     5785.0*2    Ce1n100g1538
         QG      8 GLN  HE22    4.10 <# m   1    21415.0*2    Ce1n100g2314
  9 ILE  
         HN      9 ILE  HA      3.30  #     2    44240.0      Ce1n100g 162
         HN      9 ILE  HB      3.10  #     2    65800.0      Ce1n100g 163
         HN      9 ILE  QG2     3.90  #     1M   41283.0      290K_n10 164
         HN      9 ILE  HG12    5.10 >#     1     2840.4      290K_n102554
         HN      9 ILE  HG13    4.10 <#     1     7070.0      Ce1n100g2509
         HN      9 ILE  QD1     4.30  #     1M   21590.0      Ce1n100g 169
         HN     10 ALA  HN      3.20  #     2    53110.0      Ce1n100g1174
         HA      9 ILE  HB      3.40  #     2    37089.0      290K_n10 170
         HA      9 ILE  QG2     3.80  #     1M   48195.0      290K_n10 171
         HA      9 ILE  HG12    3.40  #     1    14656.5      290K_n102166
         HA      9 ILE  HG13    3.10  #     1    22090.5      290K_n102706
         HA      9 ILE  QD1     4.00  #     1M   34452.0      290K_n10 172
         HA     10 ALA  HN      4.30  #     2     8815.0      Ce1n100g1173
         HA     11 GLU- HB2     4.70  #     3     6224.0      Ce1n100g2457
         HA     12 PHE  HN      3.80  #     3    22310.0      Ce1n100g1189
         HA     12 PHE  HB2     4.20  #     3    12090.0      Ce1n100g2168
         HA     12 PHE  HB3     4.00  #     3    16740.0      Ce1n100g2419
         HA     12 PHE  CG      5.70  # r   5    22675.0*2    Ce1n100g1827
         HA     13 LYS+ HN      5.10  #     3     4105.0      Ce1n100g1196
         HA     65 PHE  CZ      7.50  # r   5     2026.5*2    Ce1n100g1820
         HA     65 PHE  HZ      4.30  #     5     8557.0      Ce1n100g1819
         HA     69 LEU  QD2     4.50  #     5M   22990.0      Ce1n100g2215
         HB      9 ILE  QG2     3.00  #   s 1M  202400.0      Ce1n100g 176
         HB      9 ILE  QD1     3.40  #     1M  100800.0      Ce1n100g 179
         HB     10 ALA  HN      3.70  #     2    21991.5      290K_n101177
         QG2     9 ILE  QD1     4.40  # m   1M   90270.0      290K_n10 180
         QG2    10 ALA  HN      5.10  #     5M   14000.0      Ce1n100g2548
         QG2    13 LYS+ HN      7.00  #   w 5M    3546.0      Ce1n100g1763
         QG2    13 LYS+ QE      6.20  # m   5M   12945.0*2    Ce1n100g2371
         QG2    65 PHE  CZ      6.40  # r   5M   25905.0*2    Ce1n100g1514
         QG2    65 PHE  HZ      3.50  #     5M   65740.0      Ce1n100g2041
         QG2    69 LEU  QD1     5.90  # m   5M   16950.0      Ce1n100g2490
         QG2    69 LEU  QD2     5.80  # m   5M   18166.5      290K_n102177
         HG12    9 ILE  QD1     3.00  #   s 1M  244200.0      Ce1n100g2505
         HG13    9 ILE  QD1     3.20  #     1M  137655.0      290K_n102517
         HG13   10 ALA  HN      4.60  #     5     5366.0      Ce1n100g2546
         HG13   10 ALA  HA      5.10  #     5     3198.0      Ce1n100g2522
         HG13   13 LYS+ HN      4.90  #     5     4038.8      290K_n102898
         HG13   69 LEU  QD2     5.60  #     5M   10000.0      Ce1n100g2543
         QD1    12 PHE  CG      6.50  # r   5M   24495.0*2    Ce1n100g1836
         QD1    65 PHE  CZ      8.80  # r   5M    4325.5*2    Ce1n100g1513
         QD1    65 PHE  HZ      6.10  #     5M    7091.0      Ce1n100g1521
         QD1    69 LEU  QD2     4.10  # m   5M  107730.0      290K_n102165
 10 ALA  
         HN     10 ALA  HA      3.10  #     2    66620.0      Ce1n100g 322
         HN     10 ALA  QB      3.00  #   s 2M  181100.0      Ce1n100g 326
         HN     11 GLU- HN      3.20  #     2    61110.0      290K_n101184
         HA     10 ALA  QB      3.00  #   s 2M  219500.0      Ce1n100g 324
         HA     11 GLU- HN      3.70  #     2    23990.0      Ce1n100g1185
         HA     13 LYS+ HN      3.70  #     3    28380.0      Ce1n100g1070
         HA     13 LYS+ QB      4.60  # m   3    30105.0*2    Ce1n100g2383
         QB     11 GLU- HN      3.30  #     2M   43000.0    ! Ce1n100g2499
         QB     13 LYS+ HN      5.50  #     3M    1810.8      290K_n102071
 11 GLU- 
         HN     11 GLU- HA      3.20  #     2    60900.0      Ce1n100g 426
         HN     11 GLU- HB2     3.30  #     2    49940.0      Ce1n100g 430
         HN     11 GLU- HB3     3.60  #     2    26707.5      290K_n10 429
         HN     11 GLU- HG2     3.40 >#     1    14750.0      Ce1n100g 428
         HN     11 GLU- HG3     2.60 <#     1    43140.0      Ce1n100g 427
         HN     12 PHE  HN      3.00  #     2    80420.0      Ce1n100g1188
         HN     13 LYS+ HN      4.30  #     3    10930.0      Ce1n100g2285
         HA     11 GLU- HB2     3.40  #     2    39500.0      Ce1n100g 443
         HA     11 GLU- HB3     3.40  #     2    42500.0      Ce1n100g 442
         HA     11 GLU- HG2     2.70  #     1    38430.0      Ce1n100g 441
         HA     11 GLU- HG3     3.00  #     1    24727.5      290K_n10 436
         HA     12 PHE  HN      3.80  #     2    19310.0      Ce1n100g1192
         HA     15 ALA  HN      5.50  #     3     2578.0      Ce1n100g1231
         HB2    11 GLU- HG2     3.10  #     1    20140.0      Ce1n100g 451
         HB2    11 GLU- HG3     3.40  #     1    13968.0      290K_n10 446
         HB2    12 PHE  HN      3.20 <#     2    55170.0      Ce1n100g1190
         HB3    11 GLU- HG2     2.60  #     1    46530.0      290K_n10 450
         HB3    11 GLU- HG3     3.20  #     1    19242.0      290K_n10 445
         HB3    12 PHE  HN      3.80 >#     2    18450.0      Ce1n100g1191
         HG2    12 PHE  HN      5.00  #     5     3485.0      Ce1n100g1203
 12 PHE  
         HN     12 PHE  HA      3.30  #     2    47310.0      Ce1n100g 148
         HN     12 PHE  HB2     3.10  #     2    64120.0      Ce1n100g1822
         HN     12 PHE  HB3     3.50  #     2    35370.0      Ce1n100g 150
         HN     12 PHE  CG      6.00  # r   1     7915.0*2    Ce1n100g1504
         HN     13 LYS+ HN      3.20  #     2    61730.0      Ce1n100g1194
         HN     65 PHE  HZ      5.00  #     5     3316.0      290K_n101812
         HA     12 PHE  HB2     3.60  #     2    29570.0      Ce1n100g1840
         HA     12 PHE  HB3     3.30  #     2    45030.0      Ce1n100g 154
         HA     12 PHE  CG      3.50  # m   1    53900.0*2    Ce1n100g1275
         HA     12 PHE  CZ      5.30  # i   1     4033.0*2    Ce1n100g1814
         HA     13 LYS+ HN      4.20  #     2    10940.0      Ce1n100g1193
         HA     15 ALA  HN      3.70  #     3    28670.0      Ce1n100g1236
         HA     15 ALA  QB      3.00  #   s 3M   74920.0    ! Ce1n100g1813
         HA     16 PHE  HN      5.70  #     3     1900.0      Ce1n100g1246
         HA     68 PHE  CZ      6.40  # r   5     7085.0*2    Ce1n100g1764
         HB2    12 PHE  CG      5.10  # r   1    20410.0*2    Ce1n100g1824
         HB2    13 LYS+ HN      4.00  #     2    14780.0      Ce1n100g2207
         HB2    65 PHE  CZ      6.90 ># r   5     3915.0*2    290K_n101825
         HB2    65 PHE  HZ      3.60  #     5    26580.0      Ce1n100g1823
         HB2    69 LEU  QD2     4.80  #     5M   17630.0      Ce1n100g2209
         HB3    12 PHE  CG      5.10  # r   1    22680.0*2    Ce1n100g1818
         HB3    13 LYS+ HN      3.80  #     2    19290.0      Ce1n100g1204
         HB3    65 PHE  CZ      6.20 <# r   5    10260.0*2    290K_n101821
         HB3    65 PHE  HZ      3.50  #     5    31720.0      Ce1n100g1499
         HB3    68 PHE  CG      7.00  # r   5     3479.0*2    Ce1n100g1546
         HB3    68 PHE  CZ      5.80  # r   5    18050.0*2    Ce1n100g1826
         HB3    69 LEU  QD2     3.80  #     5M   48350.0      Ce1n100g2205
         CG     12 PHE  CZ      6.40  # rr  1    65375.0*2*2  Ce1n100g1556
         CG     13 LYS+ HN      8.00  # r w 5     1069.5*2    Ce1n100g1207
         CG     15 ALA  QB      7.20  # r   5M   13285.0*2    Ce1n100g1837
         CG     68 PHE  CZ      8.20  # rr  5     9305.0*2*2  Ce1n100g1828
         CG     69 LEU  QD1     9.00 ># r w 5M    1824.0*2    Ce1n100g1831
         CG     69 LEU  QD2     6.50 <# r   5M   23010.0*2    Ce1n100g1829
         CG     72 MET  HG2     6.80 ># r   5     4678.5*2    Ce1n100g2354
         CG     72 MET  HG3     6.20 <# r   5    10030.0*2    Ce1n100g1834
         CZ     69 LEU  QD2     8.30  # r   5M    6160.0*2    Ce1n100g1830
         CZ     72 MET  HG2     6.60 ># r   5     5590.0*2    Ce1n100g1832
         CZ     72 MET  HG3     5.80 <# r   5    17510.0*2    Ce1n100g1833
         CZ     72 MET  QE      9.00  # r w 5M    2845.0*2    Ce1n100g2320
         CZ     73 ALA  HA      6.50  # r   5     6450.0*2    Ce1n100g1453
 13 LYS+ 
         HN     13 LYS+ HA      3.30  #     2    43270.0      Ce1n100g   5
         HN     13 LYS+ QB      3.70  # i   2    63250.0*2    Ce1n100g  13
         HN     13 LYS+ HG2     3.00 <#     1    24633.0      290K_n10  14
         HN     13 LYS+ HG3     4.10 >#     1     7155.0      290K_n10  20
         HN     14 GLU- HN      3.20  #     2    57260.0      Ce1n100g1198
         HN     15 ALA  HN      5.40  #     3     2904.0      Ce1n100g1232
         HN     65 PHE  CZ      6.20  # r   5     9360.0*2    Ce1n100g1496
         HN     65 PHE  HZ      3.70  #     5    20043.0      290K_n101497
         HA     13 LYS+ QB      4.30  # m   2    47710.0*2    Ce1n100g  18
         HA     13 LYS+ HG2     2.20 <#     1    80000.0      Ce1n100g  23
         HA     13 LYS+ HG3     3.10 >#     1    20605.5      290K_n10  22
         HA     13 LYS+ QD      4.50  # m   1    13505.0*2    Ce1n100g 945
         HA     14 GLU- HN      3.90  #     2    16040.0      Ce1n100g1209
         HA     16 PHE  HN      3.60  #     3    33270.0      Ce1n100g1247
         HA     16 PHE  HB2     3.90 >#     3    21010.0      Ce1n100g2333
         HA     16 PHE  HB3     3.40 <#     3    42480.0      Ce1n100g2086
         HA     16 PHE  CG      6.50  # r   5     6875.0*2    Ce1n100g1920
         HA     65 PHE  CG      6.20  # r   5     9395.0*2    Ce1n100g1234
         HA     65 PHE  CZ      5.30  # r   5    44790.0*2    Ce1n100g1485
         HA     65 PHE  HZ      3.80  #     5    17760.0      Ce1n100g1233
         QB     13 LYS+ HG2     3.60  # m   1    43150.0*2    Ce1n100g  25
         QB     13 LYS+ HG3     3.40  # m   1    59400.0*2    290K_n10  26
         QB     13 LYS+ QD      5.10  # mm  1    22750.0*2*2  Ce1n100g 943
         QB     13 LYS+ QE      7.70  # mm  1     1762.9*2*2  290K_n10 935
         QB     14 GLU- HN      4.70  # m   2    24727.5*2    290K_n101235
         QB     65 PHE  CZ      8.10  # mr  5     3155.0*2*2  Ce1n100g1503
         QB     65 PHE  HZ      5.10  # m   5    12215.0*2    Ce1n100g1762
         HG2    13 LYS+ QD      3.20 <# m   1    83900.0*2    Ce1n100g 942
         HG2    13 LYS+ QE      3.90 <# m   1    28597.5*2    290K_n10 947
         HG2    14 GLU- HN      5.20  #     5     2592.0      Ce1n100g1228
         HG2    65 PHE  CZ      6.90  # r   5     3699.5*2    Ce1n100g1515
         HG2    65 PHE  HZ      3.50 <#     5    30620.0      Ce1n100g2042
         HG3    13 LYS+ QD      5.10 ># m   1     6995.0*2    Ce1n100g 941
         HG3    13 LYS+ QE      5.00 ># m   1     7393.5*2    290K_n10 938
         HG3    65 PHE  HZ      4.00 >#     5    14040.0      Ce1n100g2473
         QD     13 LYS+ QE      5.90  # mm  1     8240.0*2*2  Ce1n100g 944
         QE     65 PHE  CZ      8.00  # mr  5     3387.5*2*2  Ce1n100g1761
 14 GLU- 
         HN     14 GLU- HA      3.10  #     2    76000.0      Ce1n100g 463
         HN     14 GLU- HB2     3.10 <#     2    63170.0      Ce1n100g 465
         HN     14 GLU- HB3     3.60 >#     2    29700.0      290K_n10 469
         HN     14 GLU- HG2     2.80  #     1    32121.0      290K_n10 471
         HN     14 GLU- HG3     2.50  #     1    53360.0      Ce1n100g 470
         HN     15 ALA  HN      3.40  #     2    39631.5      290K_n101229
         HA     14 GLU- HB2     3.10  #     2    70000.0      Ce1n100g1226
         HA     14 GLU- HB3     2.80  #     2   129800.0      Ce1n100g1220
         HA     14 GLU- HG2     2.80 <#     1    31500.0      Ce1n100g1213
         HA     14 GLU- HG3     3.60 >#     1    11380.0      Ce1n100g1215
         HA     15 ALA  HN      4.30  #     2     9815.0      Ce1n100g1237
         HA     17 SER  HN      3.60  #     3    32427.0      290K_n101254
         HB2    14 GLU- HG2     3.00  #     1    24500.0      Ce1n100g1218
         HB2    14 GLU- HG3     3.80  #     1     9269.0      Ce1n100g1224
         HB2    15 ALA  HN      3.70  #     2    23600.0      Ce1n100g1244
         HB3    14 GLU- HG2     2.70  #     1    37820.0      Ce1n100g1217
         HB3    14 GLU- HG3     4.50  #     1     4715.0      Ce1n100g1223
         HB3    15 ALA  HN      3.70  #     2    25150.0      Ce1n100g1243
 15 ALA  
         HN     15 ALA  HA      3.20  #     2    58530.0      Ce1n100g 378
         HN     15 ALA  QB      3.00  #   s 2M  135600.0      Ce1n100g 379
         HN     16 PHE  HN      3.20  #     2    51810.0      Ce1n100g1238
         HA     15 ALA  QB      3.00  #   s 2M   92500.0      Ce1n100g 383
         HA     16 PHE  HN      4.40  #     2     8640.0      290K_n101245
         HA     18 LEU  HN      4.20  #     3    12970.0      Ce1n100g1258
         HA     18 LEU  QB      5.20  # m   3    13405.0*2    Ce1n100g2373
         HA     18 LEU  QD1     3.60  #     5M   58230.0      290K_n102366
         HA     19 PHE  CG      7.70  # r   5     1587.5*2    Ce1n100g1166
         HA     19 PHE  CZ      7.50  # r   5     1936.5*2    Ce1n100g1165
         QB     16 PHE  HN      3.10  #     2M   61170.0      Ce1n100g1248
         QB     19 PHE  CG      9.00  # r w 5M    2802.0*2    Ce1n100g1881
         QB     19 PHE  CZ      8.10  # r   5M    6885.0*2    Ce1n100g1882
         QB     68 PHE  CZ      6.00  # r   5M   37075.0*2    Ce1n100g1547
         QB     68 PHE  HZ      3.50  #     5M   66070.0      Ce1n100g2028
 16 PHE  
         HN     16 PHE  HA      3.50  #     2    34627.5      290K_n10 235
         HN     16 PHE  HB2     3.30  #     2    48440.0      Ce1n100g 986
         HN     16 PHE  HB3     3.00  #     2    78790.0      Ce1n100g1118
         HN     16 PHE  CG      5.90  # r   1     8450.0*2    Ce1n100g1122
         HN     17 SER  HN      3.30  #     2    44110.0      Ce1n100g1255
         HN     65 PHE  CG      7.90  # r   5     1230.0*2    Ce1n100g1766
         HN     65 PHE  CZ      7.10  # r   5     2974.5*2    290K_n101127
         HN     68 PHE  CG      7.20  # r   5     2639.0*2    Ce1n100g1123
         HN     68 PHE  CZ      6.20  # r   5     9750.0*2    Ce1n100g1124
         HN     68 PHE  HZ      5.30  #     5     2391.0      Ce1n100g1765
         HA     16 PHE  HB2     2.60 <#     2   186000.0      Ce1n100g 987
         HA     16 PHE  HB3     3.00 >#     2    85000.0      Ce1n100g1774
         HA     16 PHE  CG      3.60  # m   1    43565.0*2    Ce1n100g2080
         HA     17 SER  HN      4.30  #     2     9050.0      Ce1n100g1252
         HA     18 LEU  HN      5.60  #     3     2259.9      290K_n101775
         HA     19 PHE  HN      4.60  #     3     7555.0      Ce1n100g1776
         HA     19 PHE  HB2     3.50  #     3    41270.0      Ce1n100g1784
         HA     19 PHE  CG      5.80  # r   5    18860.0*2    Ce1n100g1782
         HA     27 ILE  QD1     4.50  #     5M   23650.0      Ce1n100g1955
         HA     65 PHE  CG      7.10  # r   5     3198.5*2    Ce1n100g1778
         HA     65 PHE  CZ      8.00  # r w 5      820.5*2    Ce1n100g1777
         HA     68 PHE  CG      6.90  # r   5     3777.5*2    Ce1n100g1783
         HA     68 PHE  CZ      6.30  # r   5     9185.0*2    Ce1n100g1781
         HA     68 PHE  HZ      4.10  #     5    10930.0      Ce1n100g1780
         HB2    16 PHE  CG      4.60  # r   1    46240.0*2    Ce1n100g2079
         HB2    17 SER  HN      3.80 >#     2    18800.0      Ce1n100g1251
         HB2    65 PHE  CG      5.60 <# r   5    26375.0*2    Ce1n100g2339
         HB2    65 PHE  CZ      5.90 <# r   5    14900.0*2    Ce1n100g1512
         HB2    68 PHE  CG      6.60  # r   5     5705.0*2    Ce1n100g1791
         HB2    68 PHE  CZ      6.70  # r   5     4970.0*2    Ce1n100g1789
         HB3    16 PHE  CG      4.60  # r   1    44080.0*2    Ce1n100g2078
         HB3    17 SER  HN      3.30 <#     2    50630.0      Ce1n100g1253
         HB3    65 PHE  CG      6.20 ># r   5     9875.2*2    290K_n101788
         HB3    65 PHE  CZ      6.60 ># r   5     5865.0*2    Ce1n100g1786
         HB3    68 PHE  CZ      6.70  # r   5     5064.8*2    290K_n101790
         CG     16 PHE  CZ      6.70  # rr  1    40300.0*2*2  Ce1n100g 898
         CG     16 PHE  HZ      6.50  # r   1     4509.0*2    290K_n10 894
         CG     17 SER  HN      6.60  # r   5     5925.0*2    Ce1n100g1767
         CG     17 SER  HA      6.30  # r   5     8315.0*2    Ce1n100g2147
         CG     27 ILE  QD1     6.50  # r   5M   22830.0*2    Ce1n100g1965
         CG     65 PHE  HA      6.50  # r   5     6670.0*2    Ce1n100g1608
         CG     65 PHE  CG      7.90  # rr  5    15245.0*2*2  Ce1n100g1795
         CG     65 PHE  CZ      9.20  # rr  5     2670.0*2*2  Ce1n100g1769
         CG     68 PHE  HN      7.80  # r   5     1411.5*2    Ce1n100g1809
         CG     68 PHE  HA      6.90  # r   5     3775.5*2    290K_n102430
         CG     68 PHE  QB      7.50  # rm  5     6255.0*2*2  Ce1n100g2428
         CZ     16 PHE  HZ      4.20  # r   1    86000.0*2    Ce1n100g 896
         CZ     25 GLY  HA1     6.40  # r   5     6975.0*2    Ce1n100g2048
         CZ     27 ILE  HG13    6.60  # r   5     5675.0*2    Ce1n100g1935 folded
         CZ     27 ILE  QD1     6.30  # r   5M   27190.0*2    Ce1n100g1362
         CZ     63 ILE  QG2     7.80  # r   5M    8380.0*2    Ce1n100g1918
         CZ     64 ASP- HA      6.20  # r   5     9870.8*2    290K_n102778
         CZ     65 PHE  HN      6.30  # r   5     8226.0*2    290K_n101805
         CZ     65 PHE  HA      5.80  # r   5    18035.0*2    Ce1n100g1915
         CZ     68 PHE  HN      8.00  # r   5     1105.9*2    290K_n101808
         CZ     68 PHE  QB      7.20  # rm  5     9582.5*2*2  Ce1n100g2341
         CZ     68 PHE  CG      8.80  # rr  5     4687.5*2*2  Ce1n100g2049
         HZ     26 THR  HA      3.30  #     5    41940.0      Ce1n100g2305
         HZ     27 ILE  QD1     7.00  #     5M    3921.8      290K_n102733
         HZ     64 ASP- HA      3.50  #     5    32380.0      Ce1n100g1507
         HZ     65 PHE  HN      4.30  #     5     8221.0      Ce1n100g1754
 17 SER  
         HN     17 SER  HA      3.30  #     2    47080.0      Ce1n100g 495
         HN     17 SER  QB      3.80  # i   2    54050.0*2    Ce1n100g 494
         HN     18 LEU  HN      3.30  #     2    45930.0      Ce1n100g1256
         HA     17 SER  QB      4.30  # m   2    44662.5*2    290K_n10 497
         HA     18 LEU  HN      4.70  #     2     5143.0      Ce1n100g1160
         HA     19 PHE  HN      6.00  #   w 3     1345.9      290K_n102589
         HA     20 ASP- HN      3.90  #     3    21267.0      290K_n101139
         HA     20 ASP- HB3     3.70  #     3    28548.0      290K_n102221
         QB     18 LEU  HN      5.10  # m   2    12065.0*2    Ce1n100g1257
 18 LEU  
         HN     18 LEU  HA      3.30  #     2    45800.0      Ce1n100g 744
         HN     18 LEU  QB      3.60  # i   2    77850.0*2    Ce1n100g 745
         HN     18 LEU  HG      3.60  #     1    11655.0    ! 290K_n10 746
         HN     18 LEU  QD1     4.90  #     1M   10940.0      Ce1n100g 747
         HN     18 LEU  QD2     5.30  #     1M    6237.0      290K_n10 773
         HN     19 PHE  HN      3.10  #     2    73630.0      Ce1n100g1259
         HA     18 LEU  QB      4.20  # m   2    61800.0*2    Ce1n100g 754
         HA     18 LEU  HG      2.70  #     1    35406.0      290K_n10 751
         HA     18 LEU  QD1     3.60 <#     1M   62960.0      Ce1n100g 767
         HA     18 LEU  QD2     4.30 >#     1M   24358.5      290K_n10 772
         HA     19 PHE  HN      4.00  #     2    13890.0      Ce1n100g1148
         QB     18 LEU  HG      3.90  # m   1    29947.5*2    290K_n10 756
         QB     18 LEU  QD1     4.90  # m   1M   40845.0*2    Ce1n100g 757
         QB     18 LEU  QD2     4.80  # m   1M   52150.0*2    Ce1n100g 771
         QB     19 PHE  HN      4.80  # m   2    19536.8*2    290K_n101261
         QB     19 PHE  CG      7.80  # mr  5     4467.5*2*2  Ce1n100g2531
         HG     18 LEU  QD1     3.30  #     1M  111735.0      290K_n10 762
         HG     18 LEU  QD2     3.60  #     1M   63360.0      290K_n10 770
         HG     35 VAL  QG2     4.50  #     5M   23360.0      Ce1n100g2179
         QD1    19 PHE  CG      9.00 ># r w 5M    1773.0*2    Ce1n100g1884
         QD1    19 PHE  CZ      9.00  # r w 5M    2747.2*2    290K_n101885
         QD2    19 PHE  CG      7.30 <# r   5M   11710.0*2    Ce1n100g1896
         QD2    35 VAL  QG1     4.80  # m   5M   47205.0      290K_n102474
 19 PHE  
         HN     19 PHE  HA      3.60  #     2    29520.0      Ce1n100g 860
         HN     19 PHE  HB2     3.10 <#     2    63610.0      Ce1n100g 864
         HN     19 PHE  HB3     3.60 >#     2    29350.0      Ce1n100g 862
         HN     19 PHE  CG      4.90  # r   1    29745.0*2    Ce1n100g2075
         HN     20 ASP- HN      2.90  #     2    99190.0      Ce1n100g1264
         HN     35 VAL  QG2     7.00  #   w 5M    3528.0      Ce1n100g2222
         HA     19 PHE  HB2     3.00  #     2    81180.0      Ce1n100g 866
         HA     19 PHE  HB3     3.20  #     2    58660.0      Ce1n100g 867
         HA     19 PHE  CG      4.60  # m   1    11150.0*2    Ce1n100g2083
         HA     20 ASP- HN      3.70  #     2    24730.0      Ce1n100g1506
         HA     27 ILE  QG2     7.00  #   w 5M    1143.0      290K_n102607
         HA     27 ILE  QD1     5.90  #     5M    7632.0      290K_n102907
         HA     35 VAL  QG1     6.80 >#     5M    4518.0      290K_n102619
         HA     35 VAL  QG2     3.10 <#     5M  110700.0      Ce1n100g2024
         HB2    19 PHE  CG      4.90  # r   1    29610.0*2    Ce1n100g1262
         HB2    20 ASP- HN      3.20 <#     2    53030.0      Ce1n100g2145
         HB2    27 ILE  QG2     5.90 >#     5M    8079.0      Ce1n100g1980
         HB2    27 ILE  QD1     3.60  #     5M   55970.0      Ce1n100g1956
         HB2    35 VAL  QG2     6.00  #     5M    7429.0      Ce1n100g2169
         HB3    19 PHE  CG      4.80  # r   1    34615.0*2    Ce1n100g2081
         HB3    20 ASP- HN      3.80 >#     2    19327.5      290K_n101505
         HB3    27 ILE  QG2     4.60 <#     5M   20790.0      Ce1n100g1982
         HB3    27 ILE  HG13    4.90  #     5     3822.8      290K_n102746
         HB3    27 ILE  QD1     3.90  #     5M   43360.0      Ce1n100g1957
         HB3    32 LEU  HA      4.30  #     5     8302.5      290K_n102812
         HB3    68 PHE  CZ      7.30  # r   5     2531.2*2    290K_n102482
         CG     19 PHE  CZ      6.20  # rr  1    88150.0*2*2  Ce1n100g1367
         CG     20 ASP- HN      7.40  # r   5     2155.3*2    290K_n102584
         CG     27 ILE  QG2     7.80  # r   5M    8561.2*2    290K_n101895
         CG     27 ILE  QD1     7.40  # r   5M   11209.5*2    290K_n101798
         CG     32 LEU  HA      5.30  # r   5    42415.0*2    Ce1n100g1283
         CG     32 LEU  QD1     7.70 <# r   5M    8860.0*2    Ce1n100g1889
         CG     32 LEU  QD2     9.00 ># r w 5M    2994.8*2    290K_n102228
         CG     35 VAL  HB      6.00  # r   5    14005.0*2    Ce1n100g1873
         CG     35 VAL  QG1     9.00 ># r   5M    3884.0*2    Ce1n100g1893
         CG     35 VAL  QG2     6.80 <# r   5M   18560.0*2    Ce1n100g1877
         CZ     32 LEU  HA      5.80  # r   5    17615.2*2    290K_n101871
         CZ     32 LEU  QD1     6.80 <# r   5M   18351.0*2    290K_n101890
         CZ     32 LEU  QD2     9.00 ># r w 5M    3557.2*2    290K_n101891
         CZ     35 VAL  HB      5.70  # r   5    22405.0*2    Ce1n100g1883
         CZ     35 VAL  QG1     6.60 <# r   5M   21900.0*2    Ce1n100g2231
         CZ     35 VAL  QG2     7.90 ># r   5M    7659.0*2    290K_n101888
         CZ     68 PHE  CZ      8.20  # rr  5     9680.6*2*2  290K_n101870
         CZ     68 PHE  HZ      5.80  # r   5    18870.8*2    290K_n101869
         CZ     72 MET  QE      8.90  # r   5M    4107.0*2    Ce1n100g2487
 20 ASP- 
         HN     20 ASP- HB2     3.70 >#     2    25290.0      Ce1n30h21677
         HN     20 ASP- HB3     3.00 <#     2    85815.0      290K_n101679
         HA     20 ASP- HB2     3.60  #     2    25782.0      Ce1n30h21673
         HA     21 LYS+ HN      3.70  #     2    24804.0      Ce1n30h21648
 22 ASP- 
         HN     23 GLY  HN      3.90  #     2    15867.0      Ce1n30h21710
 24 ASP- 
         HN     25 GLY  HN      3.50  #     2    31680.0      Ce1n30h21691
         HA     24 ASP- HB2     3.10  #     2    75375.0      290K_n101494
         HA     24 ASP- HB3     2.90  #     2    93510.0      Ce1n100g1493
 25 GLY  
         HN     25 GLY  HA1     3.20 <#     2    55440.0      Ce1n30h21690
         HN     25 GLY  HA2     3.80 >#     2    20949.0      Ce1n30h21689
         HN     26 THR  HN      4.00  #     2    14151.0      Ce1n30h21702
 26 THR  
         HN     26 THR  HA      3.60  #     2    29829.0      Ce1n30h21715
         HA     27 ILE  HN      3.20  #     2    55360.0      Ce1n100g2022
         HA     64 ASP- HA      2.50  #     4    16371.0      290K_n102279
 27 ILE  
         HN     27 ILE  HA      4.30  #     2     9204.0      Ce1n30h21622
         HN     27 ILE  HB      3.40  #     2    38500.0      Ce1n100g1180
         HN     27 ILE  HG13    3.30  #     1    17241.0      Ce1n30h21629
         HN     27 ILE  QD1     5.40  #     1M    5575.5      290K_n102546
         HN     63 ILE  HN      2.30  #     4    22090.0      Ce1n100g2023
         HN     63 ILE  HB      4.10  #     5    11580.0      Ce1n100g1733
         HA     27 ILE  HG12    3.00  #     1    25095.0      Ce1n30h21942
         HA     28 THR  HN      3.10  #     2    71550.0      Ce1n30h21950
         HB     27 ILE  QG2     3.60  #     1M   69120.0      290K_n101908
         HB     27 ILE  HG12    5.80 >#     1     1712.4      Ce1n30h22252
         HB     27 ILE  HG13    3.00 <#     1    22972.5      290K_n101996 folded
         HB     27 ILE  QD1     3.80  #     1M   48910.0      Ce1n100g1938
         HB     63 ILE  HN      4.00  #     5    14067.0      290K_n101929
         HB     63 ILE  HB      2.80  #     5   119900.0      Ce1n100g1928
         HB     63 ILE  HG13    5.00  #     5     3563.1      290K_n102786
         QG2    27 ILE  HG12    4.20 <#     1M   25300.0      Ce1n100g1992 folded
         QG2    27 ILE  HG13    4.90 >#     1M   10125.0      Ce1n30h21947
         QG2    27 ILE  QD1     4.20  # m   1M  140500.0      Ce1n100g2085
         QG2    29 THR  HA      6.60  #     5M    5014.0      Ce1n100g1993
         QG2    31 GLU- HN      6.80  #     5M    4500.0      290K_n101924
         QG2    31 GLU- HB2     4.20  #     5M   31374.0      290K_n101933
         QG2    31 GLU- HB3     4.50  #     5M   22945.5      290K_n101934
         QG2    32 LEU  HN      4.40  #     5M   26590.0      Ce1n100g1341
         QG2    32 LEU  HA      4.90  #     5M   16770.0      Ce1n100g1973
         QG2    32 LEU  HB2     4.50 <#     5M   24570.0      Ce1n100g1979
         QG2    32 LEU  HB3     6.80 >#     5M    4433.9      290K_n101976
         QG2    32 LEU  HG      5.50  #     5M   10656.0      290K_n101978
         QG2    32 LEU  QD1     5.50  # m   5M   23242.5      290K_n101990
         QG2    32 LEU  QD2     5.80  # m   5M   17980.0      Ce1n100g1986
         QG2    52 ILE  QD1     7.10  # m   5M    6667.0      Ce1n100g1951
         QG2    63 ILE  HB      4.50  #     5M   23242.5      290K_n101989
         HG12   27 ILE  QD1     3.70  #     1M   59900.0      Ce1n100g1960 folded
         HG13   27 ILE  QD1     3.70  #     1M   61750.0      Ce1n100g1936 folded
         QD1    63 ILE  HB      4.60  #     5M   20700.0    ! 290K_n101959
         QD1    63 ILE  QG2     5.30  # m   5M   28008.0      290K_n102094
         QD1    68 PHE  QB      7.10  # m   5M    7008.8*2    290K_n101954
         QD1    68 PHE  CG      6.30  # r   5M   27675.0*2    290K_n101799
         QD1    68 PHE  CZ      7.40  # r   5M   11375.0*2    Ce1n100g1797
 28 THR  
         HA     28 THR  QG2     4.00  #     1M   33180.0      Ce1n100g1397
         HA     29 THR  HN      3.10  #     2    73940.0      Ce1n100g2274
         HA     52 ILE  QD1     5.80  #     5M    8676.0      290K_n102622
         QG2    29 THR  HN      3.00  #   s 5M  115100.0    ! Ce1n100g 978
         QG2    30 LYS+ HN      4.00  #     5M   38410.0      Ce1n100g 980
 29 THR  
         HN     29 THR  HA      3.40  #     2    40930.0      Ce1n100g  60
         HN     29 THR  HB      3.90  #     2    16220.0      Ce1n100g1391
         HN     29 THR  QG2     3.60  #     1M   66170.0      Ce1n100g  64
         HN     30 LYS+ HN      3.50  #     2    32390.0      Ce1n100g1385
         HN     52 ILE  QD1     4.50  #     5M   22550.0    ! Ce1n100g1392
         HA     29 THR  HB      3.00  #     2    87040.0      Ce1n100g1401
         HA     29 THR  QG2     3.40  #     1M   88810.0      Ce1n100g  63
         HA     30 LYS+ HN      4.30  #     2     9585.0      Ce1n100g1386
         HA     32 LEU  HN      4.20  #     3    11907.0      290K_n101389
         HA     32 LEU  HB2     3.70  #     3    28420.0      Ce1n100g2401
         HA     32 LEU  HB3     3.60  #     3    33590.0      Ce1n100g2329
         HA     32 LEU  QD1     5.20  #     5M   13041.0      290K_n102204
         HA     32 LEU  QD2     5.70  #     5M    9117.0      290K_n102203
         HA     33 GLY  HN      6.00  #     3     1431.0      290K_n101390
         HA     48 LEU  HG      5.40  #     5     2122.0    ! Ce1n100g2406
         HA     48 LEU  QD1     5.00 <#     5M   15232.5      290K_n102405
         HA     48 LEU  QD2     6.20 >#     5M    6531.0      Ce1n100g2403
         HA     52 ILE  HG13    4.60  #     5     5616.0      290K_n102685
         HA     52 ILE  QD1     3.60  #     5M   58940.0      Ce1n100g1994
         HB     29 THR  QG2     3.00  #   s 1M  187500.0      Ce1n100g1402
         HB     30 LYS+ HN      3.80  #     2    19320.0      Ce1n100g1153
         HB     48 LEU  HB2     4.30  #     5     8127.0      290K_n102758
         HB     52 ILE  QD1     5.90  #     5M    8109.0      290K_n102613
         QG2    30 LYS+ HN      5.70  #     5M    8865.0      290K_n101387
         QG2    49 GLN  HA      3.60  #     5M   54920.0      Ce1n100g1904
         QG2    49 GLN  QG      5.10  # m   5M   35150.0*2    Ce1n100g2149
         QG2    49 GLN  HE21    7.00 >#   w 5M    2528.6      290K_n102054
         QG2    49 GLN  HE22    6.10 <#     5M    7091.0      Ce1n100g2055
         QG2    52 ILE  QG2     5.60  # m   5M   20713.5    ! 290K_n102130
         QG2    52 ILE  HG12    5.90 >#     5M    7662.0      Ce1n100g2256
         QG2    52 ILE  HG13    4.60 <#     5M   22113.0      290K_n102716
         QG2    52 ILE  QD1     4.30  # m   5M   79245.0      290K_n102162
 30 LYS+ 
         HN     30 LYS+ HA      3.30  #     2    48750.0      Ce1n100g 396
         HN     30 LYS+ HB2     3.20  #     2    59250.0      Ce1n100g 399
         HN     30 LYS+ HB3     3.40  #     2    38480.0      Ce1n100g 423
         HN     30 LYS+ QG      4.20  # m   1    19523.2*2    290K_n10 402
         HN     30 LYS+ HD3     4.10  #     1     7092.0      290K_n10 970
         HN     31 GLU- HN      3.50  #     2    33480.0      Ce1n100g1383
         HA     30 LYS+ HB2     3.00  #     2    76740.0      Ce1n100g 419
         HA     30 LYS+ HB3     3.30  #     2    45100.0      Ce1n100g 418
         HA     30 LYS+ QG      3.80  # i   1    17952.8*2    290K_n102659
         HA     31 GLU- HN      3.70  #     2    24430.0      Ce1n100g1382
         HA     32 LEU  HN      5.40  #     3     2885.0      Ce1n100g1412
         HA     33 GLY  HN      4.30  #     3    11260.0      Ce1n100g1197
         HA     48 LEU  QD1     6.80  #     5M    4455.9      290K_n102629
         HB2    30 LYS+ QG      4.00  # m   1    24825.0*2    Ce1n100g 410
         HB2    30 LYS+ HD3     3.00  #     1    23640.0      Ce1n100g 962
         HB2    31 GLU- HN      4.10  #     2    11910.0      Ce1n100g1380
         HB3    30 LYS+ QG      4.50  # m   1    13705.0*2    Ce1n100g 409
         HB3    31 GLU- HN      3.90  #     2    17710.0      Ce1n100g1381
         QG     30 LYS+ HD2     3.20 <# m   1    84750.0*2    Ce1n100g 974
         QG     30 LYS+ HD3     3.90 ># m   1    28730.0*2    Ce1n100g 977
         QG     30 LYS+ QE      7.10  # mm  1     2733.8*2*2  290K_n10 404
         HD2    30 LYS+ QE      4.20  # m   1    19465.0*2    Ce1n100g 954
         HD3    30 LYS+ QE      4.40  # m   1    14505.8*2    290K_n10 957
 31 GLU- 
         HN     31 GLU- HA      3.30  #     2    43460.0      Ce1n100g  55
         HN     31 GLU- HB2     3.50 <#     2    32740.0      Ce1n100g  58
         HN     31 GLU- HB3     4.30 >#     2     9409.5      290K_n10 982
         HN     32 LEU  HN      3.40  #     2    38100.0      Ce1n100g1372
         HA     31 GLU- HB2     4.10  #     2    12100.0      Ce1n100g  56
         HA     31 GLU- HB3     3.70  #     2    22603.5      290K_n10 981
         HA     32 LEU  HN      4.40  #     2     8260.0      Ce1n100g1371
         HA     34 THR  HN      3.90  #     3    18890.0      Ce1n100g 979
         HB2    32 LEU  HN      4.40  #     2     8075.0      Ce1n100g1373
 32 LEU  
         HN     32 LEU  HA      3.50  #     2    31790.0      Ce1n100g 280
         HN     32 LEU  HB2     3.10  #     2    66000.0      Ce1n100g 318
         HN     32 LEU  HB3     3.40  #     2    41035.5      290K_n10 311
         HN     32 LEU  HG      4.60  #     1     4129.6      290K_n10 312
         HN     32 LEU  QD1     5.70  #     1M    4220.1      290K_n10 319
         HN     32 LEU  QD2     5.30  #     1M    6642.0      290K_n10 315
         HN     33 GLY  HN      3.30  #     2    48400.0      Ce1n100g1378
         HA     32 LEU  HB2     3.40  #     2    40910.0      Ce1n100g 285
         HA     32 LEU  HB3     3.80  #     2    20940.0      Ce1n100g 282
         HA     32 LEU  HG      3.90  #     1     8433.0      290K_n10 310
         HA     32 LEU  QD1     3.60 <#     1M   70900.0      Ce1n100g 298
         HA     32 LEU  QD2     4.50 >#     1M   17370.0      290K_n10 301
         HA     35 VAL  HN      4.60  #     3     7293.0      Ce1n100g1268
         HA     35 VAL  HB      4.00  #     3    17830.0    ! Ce1n100g1408
         HA     35 VAL  QG2     5.70  #     5M    9351.0      290K_n102621
         HB2    32 LEU  QD1     4.00  #     1M   34947.0      290K_n10 294
         HB2    32 LEU  QD2     3.90  #     1M   39771.0      290K_n10 292
         HB2    33 GLY  HN      3.90  #     2    18153.0      290K_n101416
         HB2    52 ILE  QD1     5.60 >#     5M    9603.0      290K_n102159
         HB3    32 LEU  HG      2.70  #     1    39636.0      290K_n10 304
         HB3    32 LEU  QD1     4.30  #     1M   21460.0      Ce1n100g 297
         HB3    32 LEU  QD2     3.80  #     1M   45610.0      Ce1n100g 296
         HB3    33 GLY  HN      3.50  #     2    35869.5      290K_n101415
         HB3    48 LEU  QD2     4.90  #     5M   16660.0      Ce1n100g2491
         HB3    52 ILE  QD1     4.50 <#     5M   23584.5      290K_n102161
         HG     32 LEU  QD1     3.50  #     1M   79335.0      290K_n10 286
         HG     32 LEU  QD2     3.50  #     1M   79390.0      Ce1n100g 287
         HG     33 GLY  HN      4.90  #     5     4074.0      Ce1n100g1418
         QD1    36 MET  HG2     7.00  #   w 5M    3794.0      Ce1n100g2197
         QD1    36 MET  HG3     7.00  #   w 5M    3650.8      290K_n102198
         QD1    48 LEU  QD2     5.50  # m   5M   23274.0      290K_n102152
         QD1    52 ILE  QD1     5.60  # m   5M   20710.0      Ce1n100g2034
         QD1    63 ILE  QD1     5.80  # m   5M   17850.0      Ce1n100g2108
         QD2    33 GLY  HN      7.00  #   w 5M    1827.0      290K_n102550
         QD2    48 LEU  HA      5.60  #     5M    9454.5      290K_n102210
         QD2    48 LEU  HB2     6.60  #     5M    4977.0      290K_n102699
         QD2    48 LEU  QD2     5.00  # m   5M   39340.0      Ce1n100g2151
         QD2    51 MET  HB3     4.30  #     5M   27850.0      Ce1n100g2182
         QD2    51 MET  HG3     7.00  #   w 5M    2559.6      290K_n102904
         QD2    52 ILE  HN      6.80  #     5M    4376.0      Ce1n100g2234
         QD2    52 ILE  HG12    4.90  #     5M   16410.0      Ce1n100g2109
         QD2    52 ILE  HG13    5.60  #     5M    9877.5      290K_n102903
         QD2    52 ILE  QD1     5.10  # m   5M   35260.0      Ce1n100g2035
 33 GLY  
         HN     33 GLY  HA1     3.10  #     2    64120.0      Ce1n100g1202
         HN     33 GLY  HA2     2.90  #     2   106000.0      Ce1n100g 149
         HN     34 THR  HN      3.50  #     2    31460.0      Ce1n100g1413
         HN     48 LEU  QD1     4.40  #     5M   24710.0      Ce1n100g2030
         HN     48 LEU  QD2     4.50  #     5M   23550.0      Ce1n100g1417
         HA1    34 THR  HN      3.80  #     2    20560.0      Ce1n100g1421
         HA1    36 MET  HN      4.30  #     3    11400.0      Ce1n100g1444
         HA1    36 MET  HB2     3.50  #     3    38560.5      290K_n102455
         HA1    48 LEU  QD1     3.90  #     5M   41840.0      Ce1n100g2363
         HA1    48 LEU  QD2     3.70  #     5M   50210.0      Ce1n100g2362
         HA2    34 THR  HN      4.10  #     2    12748.5      290K_n101420
         HA2    48 LEU  QD1     3.80  #     5M   47115.0      290K_n102364
         HA2    48 LEU  QD2     4.30  #     5M   27880.0      Ce1n100g2359
 34 THR  
         HN     34 THR  HA      3.50  #     2    35300.0      Ce1n100g1422
         HN     34 THR  HB      2.90  #     2   103700.0      Ce1n100g 252
         HN     34 THR  QG2     4.10  #     1M   29820.0    ! Ce1n100g 251
         HN     35 VAL  HN      3.40  #     2    37250.0      Ce1n100g1425
         HN     35 VAL  QG2     6.90  #     5M    4244.0      Ce1n100g2259
         HA     34 THR  HB      4.10  #     2    13070.0      Ce1n100g1005
         HA     34 THR  QG2     3.40  #     1M   89330.0      Ce1n100g1423
         HA     35 VAL  HN      4.40  #     2     8196.0      Ce1n100g1152
         HA     37 ARG+ HN      4.20  #     3    12690.0      Ce1n100g1897
         HA     37 ARG+ QB      4.70  # m   3    27135.0*2    Ce1n100g2388
         HA     37 ARG+ HE      4.60  #     5     6057.0      Ce1n100g2057
         HB     34 THR  QG2     3.30  #     1M  112200.0      Ce1n100g 260
         HB     35 VAL  HN      3.40  #     2    41380.0      Ce1n100g1368
         HB     35 VAL  QG2     5.90  #     5M    7978.0      Ce1n100g2216
 35 VAL  
         HN     35 VAL  HA      3.20  #     2    54010.0      Ce1n100g 723
         HN     35 VAL  HB      2.90  #     2   106600.0      Ce1n100g 724
         HN     35 VAL  QG1     4.20 >#     1M   24670.0      Ce1n100g 726
         HN     35 VAL  QG2     3.50 <#     1M   82000.0      Ce1n100g 725
         HN     36 MET  HN      3.30  #     2    44401.5      290K_n101438
         HA     35 VAL  HB      3.20  #     2    58840.0      Ce1n100g 733
         HA     35 VAL  QG1     3.60  #     1M   66690.0      290K_n10 730
         HA     35 VAL  QG2     3.40  #     1M   95130.0      Ce1n100g 736
         HA     36 MET  HN      4.20  #     2    11400.0      Ce1n100g1433
         HA     37 ARG+ HN      4.40  #     3     9322.0      Ce1n100g2058
         HA     38 SER  HN      3.90  #     3    18560.0      Ce1n100g1409
         HB     35 VAL  QG1     3.00  #   s 1M  213000.0      Ce1n100g 731
         HB     35 VAL  QG2     3.10  #     1M  156700.0      Ce1n100g 732
         HB     36 MET  HN      3.20  #     2    57530.0      Ce1n100g1434
         QG1    36 MET  HN      5.20  #     5M   13620.0      Ce1n100g1435
         QG1    36 MET  HA      5.30  #     5M   11722.5      290K_n102617
         QG1    39 LEU  QQD     6.70  # q   5M   27382.5*2    290K_n101731
         QG2    36 MET  HN      5.20  #     5M   12627.0      290K_n101436
 36 MET  
         HN     36 MET  HA      3.40  #     2    42780.0      Ce1n100g 268
         HN     36 MET  HB2     3.20 <#     2    61240.0      Ce1n100g 270
         HN     36 MET  HB3     3.80 >#     2    18500.0      Ce1n100g2269
         HN     36 MET  HG2     3.20  #     1    18648.0      290K_n101427
         HN     36 MET  HG3     2.80  #     1    32314.5      290K_n10 269
         HN     37 ARG+ HN      3.20  #     2    53890.0      Ce1n100g1439
         HA     36 MET  HB2     3.00  #     2    80000.0      Ce1n100g 275
         HA     36 MET  HB3     3.00  #     2    82215.0      290K_n102759
         HA     36 MET  HG2     2.70 <#     1    34816.5      290K_n101430
         HA     36 MET  HG3     3.60 >#     1    11560.0      Ce1n100g 274
         HA     37 ARG+ HN      4.30  #     2     9789.0      Ce1n100g1898
         HA     39 LEU  HB2     3.00  #     3   102200.0      Ce1n100g2389
         HA     39 LEU  QQD     6.30  #     5M   17313.8*2    290K_n102467
         HA     41 GLN  HE21    4.10  #     5    11900.0      Ce1n100g2312
         HB2    36 MET  HG2     2.90  #     1    28210.5      290K_n101432
         HB2    36 MET  HG3     2.60  #     1    47025.0      290K_n10 278
         HB2    37 ARG+ HN      2.90 <#     2   107900.0      Ce1n100g1462
         HB2    41 GLN  HB2     3.80  #     5    18130.0      Ce1n100g2442
         HB2    42 ASN  HA      3.40  #     5    36490.0      Ce1n100g1574
         HB3    36 MET  HG2     3.10  #     1    22621.5      290K_n102506
         HB3    36 MET  HG3     3.10  #     1    21766.5      290K_n102507
         HB3    37 ARG+ HN      4.80 >#     2     4698.0      290K_n102797
 37 ARG+ 
         HN     37 ARG+ HA      4.00  #     2    15260.0      Ce1n100g 156
         HN     37 ARG+ QB      3.60  # i   2    83400.0*2    Ce1n100g 157
         HN     37 ARG+ QG      4.10  # m   1    22185.0*2    Ce1n100g2062
         HN     37 ARG+ HD2     4.40  #     1     5062.0      Ce1n100g2059
         HN     37 ARG+ HD3     4.60  #     1     4450.0      Ce1n100g2060
         HN     37 ARG+ HE      3.60  #     1    11484.0      290K_n102283
         HN     38 SER  HN      3.20  #     2    56140.0      Ce1n100g1450
         HA     37 ARG+ QB      4.00  # i   2    40330.0*2    Ce1n100g 158
         HA     37 ARG+ QG      3.90  # i   1    16460.0*2    Ce1n100g2065
         QB     37 ARG+ HD2     3.50 ># m   1    49850.0*2    Ce1n100g 553
         QB     37 ARG+ HD3     3.00 <# m   1   142450.0*2    Ce1n100g 552
         QB     37 ARG+ HE      4.40  # m   1    14285.0*2    Ce1n100g 545
         QB     38 SER  HN      5.10  # m   2    12860.0*2    Ce1n100g2317
         QG     37 ARG+ HD2     4.70  # m   1    10940.0*2    Ce1n100g2066
         QG     37 ARG+ HE      4.70  # m   1    10020.0*2    Ce1n100g2061
         HD2    37 ARG+ HE      2.90  #     1    27370.0      Ce1n100g 543
         HD3    37 ARG+ HE      2.60  #     1    41080.0      Ce1n100g 544
 38 SER  
         HN     38 SER  HA      3.20  #     2    60760.0      Ce1n100g 456
         HN     38 SER  QB      4.00  # i   2    41580.0*2    Ce1n100g 457
         HN     39 LEU  HN      3.20  #     2    58420.0      Ce1n100g1442
         HA     38 SER  QB      4.50  # m   2    32625.0*2    290K_n10 460
         HA     39 LEU  HN      3.60  #     2    25750.0      Ce1n100g1460
         QB     39 LEU  HN      6.20  # m   2     3027.0*2    Ce1n100g1461
 39 LEU  
         HN     39 LEU  HA      3.60  #     2    25750.0      Ce1n100g 708
         HN     39 LEU  HB2     3.10  #     2    69470.0      Ce1n100g 712
         HN     39 LEU  HB3     3.20  #     2    54810.0      290K_n10 713
         HN     39 LEU  QQD     6.90  # q   1M   16765.0*2    Ce1n100g 718
         HN     40 GLY  HN      3.30  #     2    44410.0      Ce1n100g1443
         HN     41 GLN  HN      3.70  #     3    27040.5      290K_n101845
         HA     39 LEU  HB2     3.00  #     2    91370.0      Ce1n100g 709
         HA     39 LEU  HB3     3.10  #     2    68570.0      Ce1n100g 710
         HA     39 LEU  HG      2.40  #     1    57660.0      Ce1n100g2501
         HA     39 LEU  QQD     5.60  # s   1M   44257.5*2    290K_n102817
         HA     40 GLY  HN      3.50  #     2    31240.0    ! Ce1n100g1456
         HB2    39 LEU  QQD     5.20  #     1M   50500.0*2    Ce1n100g 722
         HB2    41 GLN  HN      4.70  #     3     6138.0      290K_n101459
         HB2    41 GLN  HE22    4.70  #     5     4797.0      290K_n102806
         HB3    40 GLY  HN      4.10  #     2    13221.0      290K_n101458
         HG     39 LEU  QQD     4.70  #     1M  111172.5*2    290K_n10 719
         QQD    41 GLN  HN      7.90  #     5M    5274.0*2    290K_n102541
 40 GLY  
         HN     40 GLY  HA1     2.80 <#     2   118900.0      Ce1n100g 501
         HN     40 GLY  HA2     3.20 >#     2    57440.0      Ce1n100g 508
         HA1    41 GLN  HN      3.30  #     2    44068.5      290K_n101843
         HA2    41 GLN  HN      3.50  #     2    33900.0      Ce1n100g1844
 41 GLN  
         HN     41 GLN  HA      3.30  #     2    44850.0      Ce1n100g 484
         HN     41 GLN  HB2     3.10 <#     2    70240.0      Ce1n100g 486
         HN     41 GLN  HB3     3.60 >#     2    29980.0      Ce1n100g 485
         HN     41 GLN  QG      4.10  # m   1    20659.5*2    290K_n101847
         HN     42 ASN  HN      4.40  #     2     7767.0    ! Ce1n100g1617
         HA     41 GLN  HB2     3.50 >#     2    35118.0      290K_n101042
         HA     41 GLN  HB3     2.90 <#     2   106300.0      Ce1n100g 487
         HA     41 GLN  QG      3.90  # i   1    16215.8*2    290K_n101850
         HA     42 ASN  HN      2.90  #     2    96530.0      Ce1n100g1128
         HB2    41 GLN  QG      3.20  # m   1    81950.0*2    Ce1n100g1849
         HB2    42 ASN  HN      3.70 >#     2    22122.0      290K_n101130
         HB2    43 PRO  HD3     3.80  #     5    16950.0      Ce1n100g2328
         HB3    42 ASN  HN      3.30 <#     2    45000.0      Ce1n100g1616
         QG     41 GLN  HE21    4.40 <# m   1    14490.0*2    Ce1n100g1530
         QG     41 GLN  HE22    6.50 ># m   1     2156.8*2    290K_n102313
         QG     42 ASN  HN      5.20  # m   5    10250.0*2    Ce1n100g1856
 42 ASN  
         HN     42 ASN  HA      3.40  #     2    39850.0      Ce1n100g 124
         HN     42 ASN  HB2     3.70  #     2    23470.0      Ce1n100g1853
         HN     42 ASN  HB3     3.60  #     2    29180.0      Ce1n100g1852
         HN     42 ASN  HD21    6.00  #   w 1     1388.7      290K_n102762
         HN     43 PRO  HD2     4.00 >#     5    12510.0      Ce1n100g1120
         HN     43 PRO  HD3     3.60 <#     5    26630.0      Ce1n100g1119
         HA     42 ASN  HB2     3.20  #     2    52450.0      Ce1n100g 136
         HA     42 ASN  HB3     3.10  #     2    70990.0      Ce1n100g 137
         HA     43 PRO  QG      4.90  # m   5    15250.0*2    Ce1n100g2069
         HA     43 PRO  HD2     2.90  #     5   102700.0      Ce1n100g1575
         HA     43 PRO  HD3     3.10  #     5    63360.0      Ce1n100g1573
         HB2    42 ASN  HD21    2.70  #     1    35586.0      290K_n101543
         HB2    42 ASN  HD22    3.50  #     1    13460.0      Ce1n100g1864
         HB2    43 PRO  HD3     4.70  #     5     4932.0      290K_n102423
         HB3    42 ASN  HD21    3.20  #     1    19768.5      290K_n101544
         HB3    42 ASN  HD22    4.00  #     1     7372.0      Ce1n100g1535
 43 PRO  
         HA     43 PRO  HB3     2.60  #     2   183100.0      Ce1n100g1858
         HA     43 PRO  QG      3.50  # i   1    28600.0*2    Ce1n100g1861
         HA     44 THR  HN      2.90  #     2   113100.0      Ce1n100g1857
         HA     47 GLU- QB      5.10  # m   3    14120.0*2    Ce1n100g2459
         HB2    44 THR  HN      3.20  #     2    56830.0      Ce1n100g1863
         HB2    47 GLU- QB      4.60  # m   5    25220.0*2    Ce1n100g2472
         HB2    48 LEU  QD1     4.60  #     5M   21510.0      Ce1n100g2447
         HB3    43 PRO  HD2     2.30  #     1    69660.0      Ce1n100g1901
         HB3    43 PRO  HD3     2.70  #     1    39150.0      290K_n101900
         HB3    48 LEU  QD2     5.00  #     5M   15080.0      Ce1n100g2446
         QG     43 PRO  HD2     3.30  # m   1    76800.0*2    Ce1n100g1862
         QG     43 PRO  HD3     3.50  # m   1    53000.0*2    Ce1n100g1860
         QG     48 LEU  QD1     5.40 ># m   5M   26032.5*2    290K_n102477
         QG     48 LEU  QD2     4.50 <# m   5M   63100.0*2    Ce1n100g2443
 44 THR  
         HN     44 THR  HA      3.10  #     2    74950.0      Ce1n100g  92
         HN     44 THR  HB      3.50  #     2    30480.0    ! Ce1n100g1239
         HN     44 THR  QG2     3.30  #     1M  112600.0      Ce1n100g  93
         HN     47 GLU- HN      4.30  #     3    10640.0      Ce1n100g1156
         HN     47 GLU- QB      4.40  # m   3    45195.0*2    Ce1n100g1356
         HA     44 THR  HB      3.90  #     2    17770.5      290K_n101351
         HA     44 THR  QG2     3.30  #     1M  116400.0      Ce1n100g  96
         HA     45 GLU- HN      2.70  #     2   144500.0      Ce1n100g1168
         HA     46 ALA  HN      4.20  #     3    13050.0      Ce1n100g1410
         HA     47 GLU- HN      5.70  #     3     1959.0      Ce1n100g1355
         HA     47 GLU- QB      5.60  # m   3     7820.0*2    Ce1n100g1357
         HB     44 THR  QG2     3.10  #     1M  181700.0      Ce1n100g1352
         HB     45 GLU- HN      2.80  #     2   117300.0      Ce1n100g1353
         HB     47 GLU- HN      4.50  #     3     7948.0      Ce1n100g2308
         QG2    45 GLU- HN      4.90  #     5M   16254.0      290K_n101354
         QG2    47 GLU- QB      5.50  # m   5M   24360.0*2    Ce1n100g2435
 45 GLU- 
         HN     45 GLU- HA      3.30  #     2    50230.0      Ce1n100g  75
         HN     45 GLU- QB      3.70  # i   2    70250.0*2    Ce1n100g  79
         HN     45 GLU- QG      4.00  # m   1    25180.0*2    Ce1n100g  77
         HN     46 ALA  HN      3.20  #     2    51710.0      Ce1n100g1349
         HN     48 LEU  QD1     6.30  #     5M    6196.0      Ce1n100g2031
         HA     45 GLU- QB      4.20  # m   2    59782.5*2    290K_n10  83
         HA     45 GLU- QG      3.30  # i   1    35325.0*2    290K_n10  81
         HA     46 ALA  HN      4.20  #     2    11210.0      Ce1n100g1348
         HA     48 LEU  HN      4.20  #     3    12980.0      Ce1n100g1344
         HA     48 LEU  HB2     3.60 <#     3    33060.0      Ce1n100g2378
         HA     48 LEU  HB3     4.60 >#     3     7326.0      290K_n102376
         HA     48 LEU  QD1     3.50  #     5M   68625.0      290K_n102327
         HA     49 GLN  HN      4.70  #     3     6755.0      Ce1n100g1345
         QB     45 GLU- QG      5.10  # mm  1    22500.0*2*2  Ce1n100g  86
         QB     46 ALA  HN      4.50  # m   2    35190.0*2    Ce1n100g1301
         QG     46 ALA  HN      6.00  # m   5     3548.0*2    Ce1n100g1350
 46 ALA  
         HN     46 ALA  HA      3.00  #     2    80970.0      Ce1n100g 246
         HN     46 ALA  QB      3.00  #   s 2M  173700.0      Ce1n100g 250
         HN     47 GLU- HN      3.20  #     2    53070.0      Ce1n100g1149
         HN     47 GLU- QB      5.70  # m   2     5540.0*2    Ce1n100g1151
         HN     48 LEU  QD1     7.00  #     5M    4010.8      290K_n102260
         HN     49 GLN  HN      4.90  #     3     5309.0      Ce1n100g1155
         HA     46 ALA  QB      3.00  #   s 2M  153090.0      290K_n10 248
         HA     47 GLU- HN      4.30  #     2     9432.0      290K_n101346
         HA     49 GLN  HN      3.90  #     3    18780.0      Ce1n100g1154
         HA     49 GLN  QB      4.40  # m   3    49612.5*2    290K_n102390
         QB     47 GLU- HN      3.30  #     2M   38997.0      290K_n101347
 47 GLU- 
         HN     47 GLU- HA      3.20  #     2    56100.0      Ce1n100g 511
         HN     47 GLU- QB      3.60  # i   2    84400.0*2    Ce1n100g 516
         HN     48 LEU  HN      2.90  #     2   108100.0      Ce1n100g1146
         HA     47 GLU- QB      4.10  # m   2    75000.0*2    Ce1n100g 514
         HA     48 LEU  HN      4.00  #     2    13820.0      Ce1n100g1138
         HA     50 ASP- HN      3.90  #     3    20990.0      Ce1n100g1147
         HA     50 ASP- HB2     3.40 <#     3    45530.0      Ce1n100g2332
         HA     50 ASP- HB3     3.90 >#     3    20420.0      Ce1n100g2335
         QB     48 LEU  HN      4.60  # m   2    27885.0*2    Ce1n100g1343
 48 LEU  
         HN     48 LEU  HA      3.30  #     2    48000.0      Ce1n100g 346
         HN     48 LEU  HB2     3.10  #     2    66380.0      Ce1n100g 352
         HN     48 LEU  HB3     3.50  #     2    34969.5      290K_n10 348
         HN     48 LEU  HG      2.20  #     1    93130.0      Ce1n100g1326
         HN     48 LEU  QD1     4.10  #     1M   30060.0      Ce1n100g 349
         HN     48 LEU  QD2     4.40  #     1M   20570.0      Ce1n100g 350
         HA     48 LEU  HB2     3.60  #     2    29760.0      Ce1n100g 362
         HA     48 LEU  HB3     3.20  #     2    57000.0      Ce1n100g 363
         HA     48 LEU  HG      3.30  #     1    15736.5      290K_n101325
         HA     48 LEU  QD1     4.90 >#     1M   10287.0      290K_n10 360
         HA     48 LEU  QD2     3.20 <#     1M  132800.0      Ce1n100g 365
         HA     49 GLN  HN      4.00  #     2    15640.0      Ce1n100g1140
         HA     51 MET  HN      4.20  #     3    12900.0      Ce1n100g1141
         HA     51 MET  HB2     3.60 <#     3    35250.0      Ce1n100g2425
         HA     51 MET  HB3     4.60 >#     3     7758.0      290K_n102426
         HA     51 MET  HG2     4.00  #     5    13000.0      Ce1n100g2456
         HA     52 ILE  HN      5.20  #     3     3300.0      Ce1n100g1161
         HB2    48 LEU  HG      3.00  #     1    24169.5      290K_n101327
         HB2    48 LEU  QD1     3.10  #     1M  173100.0      Ce1n100g 367
         HB2    48 LEU  QD2     3.80  #     1M   49720.0      Ce1n100g 366
         HB2    49 GLN  HN      3.40  #     2    41860.0      Ce1n100g1335
         HB3    48 LEU  HG      3.10  #     1    20330.0      Ce1n100g1331
         HB3    48 LEU  QD1     3.60  #     1M   64305.0      290K_n102713
         HB3    48 LEU  QD2     3.30  #     1M  116595.0      290K_n10 373
         HB3    49 GLN  HN      3.40  #     2    36860.0      Ce1n100g1336
         HG     48 LEU  QD1     3.30  #     1M  110800.0      Ce1n100g1332
         HG     48 LEU  QD2     3.30  #     1M  118300.0      Ce1n100g1329
         HG     49 GLN  HN      5.10  #     5     3235.9      290K_n101339
         QD1    49 GLN  HN      4.90 <#     5M   16596.0      290K_n101337
         QD2    49 GLN  HN      6.50 >#     5M    5301.0      290K_n101338
 49 GLN  
         HN     49 GLN  HA      3.20  #     2    51890.0      Ce1n100g 334
         HN     49 GLN  QB      3.60  # i   2    80200.0*2    Ce1n100g 336
         HN     49 GLN  QG      4.30  # m   1    15950.0*2    Ce1n100g 335
         HN     49 GLN  HE22    5.90  #     1     1622.7      290K_n102566
         HN     50 ASP- HN      3.00  #     2    83590.0      Ce1n100g1314
         HA     49 GLN  QB      4.10  # m   2    74092.5*2    290K_n10 341
         HA     49 GLN  QG      3.30  # i   1    37867.5*2    290K_n10 342
         HA     50 ASP- HN      4.10  #     2    12613.5      290K_n101315
         HA     52 ILE  HN      3.90  #     3    18590.0      Ce1n100g1313
         HA     52 ILE  HB      3.30  #     3    58390.0      Ce1n100g1905
         HA     52 ILE  QG2     5.10  #     5M   14008.5      290K_n102124
         HA     52 ILE  QD1     5.40  #     5M   11047.5      290K_n102399
         HA     53 ASN  HN      4.30  #     3    11400.0      Ce1n100g1319
         QB     49 GLN  QG      4.60  # mm  1    41250.0*2*2  Ce1n100g 339
         QB     49 GLN  HE22    5.20  # m   1     6295.5*2    290K_n102695
         QB     50 ASP- HN      4.50  # m   2    35325.0*2    290K_n101317
         QG     49 GLN  HE21    4.20  # m   1    18930.0*2    Ce1n100g 844
         QG     49 GLN  HE22    3.80  # m   1    34290.0*2    Ce1n100g 845
         QG     50 ASP- HN      5.50  # m   5     6797.2*2    290K_n101316
         QG     53 ASN  HN      5.50  # m   5     6543.0*2    290K_n102511
         QG     53 ASN  HD21    5.50 ># m   5     6763.5*2    290K_n101916
         QG     53 ASN  HD22    4.90 <# m   5    14958.0*2    290K_n101525
         HE21   52 ILE  HB      4.40  #     5     7281.0      290K_n102597
         HE21   52 ILE  QG2     5.20  #     5M   12690.0      290K_n102039
         HE22   52 ILE  QG2     6.00  #     5M    7362.0      290K_n102127
 50 ASP- 
         HN     50 ASP- HA      3.10  #     2    69290.0      Ce1n100g 384
         HN     50 ASP- HB2     2.90  #     2   100600.0      Ce1n100g 385
         HN     50 ASP- HB3     3.30  #     2    51190.0      Ce1n100g 392
         HN     51 MET  HN      3.10  #     2    73520.0      Ce1n100g1308
         HA     50 ASP- HB2     2.90  #     2    99720.0      Ce1n100g 390
         HA     50 ASP- HB3     2.80  #     2   116400.0      Ce1n100g 391
         HA     51 MET  HN      4.00  #     2    13700.0      Ce1n100g1309
         HA     53 ASN  HN      3.80  #     3    23980.0      Ce1n100g1320
         HA     53 ASN  QB      4.30  # m   3    52350.0*2    Ce1n100g2089
         HA     53 ASN  HD21    3.60 <#     5    27508.5      290K_n101322
         HA     53 ASN  HD22    4.70 >#     5     5267.0      Ce1n100g1318
         HA     54 GLU- HN      5.40  #     3     2731.0      Ce1n100g1321
         HB2    51 MET  HN      3.70 <#     2    24331.5      290K_n101311
         HB3    51 MET  HN      4.30 >#     2     9814.0      Ce1n100g1310
         HB3    51 MET  HA      3.80  #     2    18612.0      290K_n102854
 51 MET  
         HN     51 MET  HA      3.20  #     2    55580.0      Ce1n100g 556
         HN     51 MET  HB2     3.00 <#     2    83770.0      Ce1n100g 559
         HN     51 MET  HB3     3.60 >#     2    25500.0      Ce1n100g 560
         HN     51 MET  HG2     3.60 >#     1    11277.0      290K_n10 558
         HN     51 MET  HG3     2.70 <#     1    37813.5      290K_n10 557
         HN     52 ILE  HN      3.10  #     2    65010.0      Ce1n100g1303
         HN     53 ASN  HN      4.80  #     3     5643.0      290K_n102567
         HA     51 MET  HB2     3.30  #     2    50400.0      Ce1n100g 576
         HA     51 MET  HB3     3.20  #     2    59175.0      290K_n10 565
         HA     51 MET  HG2     2.70  #     1    37206.0      290K_n10 571
         HA     51 MET  HG3     2.90  #     1    27121.5      290K_n10 566
         HA     52 ILE  HN      3.70  #     2    25209.0      290K_n101269
         HA     53 ASN  HN      4.90  #     3     5277.0      Ce1n100g1271
         HA     54 GLU- HN      4.00  #     3    17850.0      Ce1n100g1266
         HB2    51 MET  HG2     3.30  #     1    15615.0      290K_n10 574
         HB2    51 MET  HG3     3.30  #     1    16030.0      Ce1n100g 569
         HB2    52 ILE  HN      3.50  #     2    30900.0      Ce1n100g1305
         HB3    51 MET  HG2     2.90  #     1    27004.5      290K_n10 584
         HB3    51 MET  HG3     3.50  #     1    12910.0      Ce1n100g 581
         HB3    52 ILE  HN      3.70  #     2    23870.0      Ce1n100g1304
 52 ILE  
         HN     52 ILE  HA      3.30  #     2    44400.0      Ce1n100g 780
         HN     52 ILE  HB      2.80  #     2   120200.0      Ce1n100g 781
         HN     52 ILE  QG2     4.50  #     1M   17300.0      Ce1n100g 785
         HN     52 ILE  HG12    3.10  #     1    22400.0      Ce1n100g 783
         HN     52 ILE  HG13    2.70  #     1    39186.0      290K_n10 782
         HN     52 ILE  QD1     4.70  #     1M   13239.0    ! 290K_n10 784
         HN     53 ASN  HN      3.10  #     2    63000.0      Ce1n100g1293
         HA     52 ILE  HB      3.20  #     2    53910.0      290K_n10 793
         HA     52 ILE  QG2     3.60  #     1M   65210.0      Ce1n100g 791
         HA     52 ILE  HG12    2.70 <#     1    35260.0      Ce1n100g 789
         HA     52 ILE  HG13    3.30 >#     1    16950.0      Ce1n100g 788
         HA     52 ILE  QD1     4.10  #     1M   28476.0    ! 290K_n10 814
         HA     53 ASN  HN      4.00  #     2    13788.0      290K_n101300
         HA     55 VAL  HN      4.70  #     3     6493.5      290K_n101324
         HA     55 VAL  QG2     4.30  #     5M   27049.5      290K_n101720
         HA     63 ILE  HG12    4.60  #     5     5545.0      Ce1n100g2106
         HA     63 ILE  HG13    4.40  #     5     7015.5      290K_n102102
         HA     63 ILE  QD1     4.00  #     5M   38820.0      Ce1n100g1734
         HB     52 ILE  QG2     3.30  #     1M  118800.0      Ce1n100g 797
         HB     52 ILE  HG12    2.90 >#     1    29173.5      290K_n10 795
         HB     52 ILE  HG13    2.40 <#     1    65840.0      Ce1n100g 794
         HB     52 ILE  QD1     3.90  #     1M   41720.0      Ce1n100g 813
         HB     53 ASN  HN      3.10  #     2    63490.0      Ce1n100g1299
         QG2    52 ILE  HG12    4.30  #     1M   22558.5      290K_n10 805
         QG2    52 ILE  HG13    4.00  #     1M   35590.0      Ce1n100g 800
         QG2    52 ILE  QD1     4.40  # m   1M  103320.0      290K_n10 810
         QG2    53 ASN  HN      4.40  #     5M   25690.0      Ce1n100g1296
         QG2    53 ASN  HA      4.80  #     5M   18369.0      290K_n102611
         QG2    53 ASN  QB      8.00  # m w 5M     536.6*2    290K_n102726
         QG2    56 ASP- HA      6.40  #     5M    5611.5      290K_n102025
         QG2    62 THR  HA      5.10  #     5M   14150.0      Ce1n100g2104
         QG2    63 ILE  HG12    6.00  #     5M    7455.0      Ce1n100g2117
         QG2    63 ILE  HG13    5.80  #     5M    8208.0      290K_n102006
         QG2    63 ILE  QD1     6.80  # m   5M    8470.0      Ce1n100g2007
         HG12   52 ILE  QD1     3.40  #     1M   87800.0      Ce1n100g 804
         HG12   63 ILE  HG13    5.20  #     5     2835.0      Ce1n100g2133
         HG12   63 ILE  QD1     4.90  #     5M   16740.0      Ce1n100g2118
         HG13   52 ILE  QD1     3.30  #     1M  112995.0      290K_n10 812
         QD1    62 THR  HA      4.50  #     5M   23571.0      290K_n102105
         QD1    63 ILE  HG12    4.80  #     5M   18004.5      290K_n102717
         QD1    63 ILE  HG13    4.40  #     5M   25848.0      290K_n102004
         QD1    63 ILE  QD1     5.40  # m   5M   25720.0      Ce1n100g2005
 53 ASN  
         HN     53 ASN  HA      3.10  #     2    64890.0      Ce1n100g 262
         HN     53 ASN  QB      3.70  # i   2    74150.0*2    Ce1n100g 266
         HN     54 GLU- HN      3.30  #     2    51580.0      Ce1n100g1289
         HA     53 ASN  QB      3.70  # i   2    75400.0*2    Ce1n100g 264
         HA     54 GLU- HN      3.60  #     2    25750.0      Ce1n100g1291
         HA     56 ASP- HN      3.80  #     3    24830.0      Ce1n100g1358
         QB     53 ASN  HD21    3.60 <# m   1    42380.0*2    Ce1n100g2090
         QB     53 ASN  HD22    4.20 ># m   1    18100.0*2    Ce1n100g1838
         QB     54 GLU- HN      4.60  # m   2    27660.0*2    Ce1n100g1292
 54 GLU- 
         HN     54 GLU- HA      3.00  #     2    82590.0      Ce1n100g 680
         HN     54 GLU- HB2     3.00 <#     2    82630.0      Ce1n100g 683
         HN     54 GLU- HB3     3.50 >#     2    30560.0      Ce1n100g 684
         HN     54 GLU- HG2     3.20  #     1    17716.5      290K_n10 681
         HN     54 GLU- HG3     3.30  #     1    17070.0      Ce1n100g 682
         HN     55 VAL  HN      3.20  #     2    54220.0      Ce1n100g1285
         HN     55 VAL  QG2     6.40  #     5M    5526.0      290K_n102011
         HA     54 GLU- HB2     3.00  #     2    80000.0      Ce1n100g 702
         HA     54 GLU- HB3     3.00  #     2    89910.0      Ce1n100g 706
         HA     54 GLU- HG2     2.90 <#     1    30000.0      Ce1n100g 691
         HA     54 GLU- HG3     3.60 >#     1    11000.0      Ce1n100g 687
         HA     55 VAL  HN      4.10  #     2    12654.0      290K_n102774
         HB2    54 GLU- HG2     3.10  #     1    20641.5      290K_n10 692
         HB2    54 GLU- HG3     2.70  #     1    35630.0      Ce1n100g 698
         HB2    55 VAL  HN      4.30  #     2     8815.5      290K_n101288
         HB2    55 VAL  QG1     5.20  #     5M   12726.0      290K_n102700
         HB3    54 GLU- HG2     2.70  #     1    35865.0      290K_n10 705
         HB3    54 GLU- HG3     3.40  #     1    14683.5      290K_n10 699
         HB3    55 VAL  HN      4.10  #     2    13522.5      290K_n101287
 55 VAL  
         HN     55 VAL  HA      3.50  #     2    33354.0      290K_n10 876
         HN     55 VAL  HB      4.00  #     2    14790.0      Ce1n100g 877
         HN     55 VAL  QG1     4.10 >#     1M   31280.0      Ce1n100g 878
         HN     55 VAL  QG2     3.50 <#     1M   73575.0      290K_n10 875
         HN     56 ASP- HN      2.90  #     2   110000.0      Ce1n100g1284
         HN     56 ASP- HA      5.30  #     2     2681.0      Ce1n100g1323
         HA     55 VAL  HB      3.00  #     2    90940.0      Ce1n100g 880
         HA     55 VAL  QG1     3.40 <#     1M  100700.0      Ce1n100g 881
         HA     55 VAL  QG2     4.00 >#     1M   34443.0      290K_n10 892
         HA     56 ASP- HN      4.00  #     2    14350.0      Ce1n100g1359
         HB     55 VAL  QG1     3.10  #     1M  169900.0      Ce1n100g 884
         HB     55 VAL  QG2     3.20  #     1M  133200.0      Ce1n100g 891
         QG1    56 ASP- HN      5.90 >#     5M    7668.0      290K_n102233
         QG1    63 ILE  QG2     6.80 <# m   5M    8401.5      290K_n101719
         QG1    70 THR  HB      5.00  #     5M   14980.0      Ce1n100g2213
         QG1    70 THR  QG2     4.50  # m   5M   65340.0      290K_n101735
         QG1    71 MET  HN      4.70 <#     5M   19215.0      290K_n101375
         QG1    71 MET  HA      3.50  #     5M   66680.0      Ce1n100g2469
         QG1    71 MET  HG2     4.50  #     5M   24120.0      Ce1n100g2186
         QG2    56 ASP- HN      4.70 <#     5M   19318.5      290K_n101361
         QG2    63 ILE  QG2     8.00 ># m w 5M    2782.3      290K_n102901
         QG2    63 ILE  HG12    5.30  #     5M   12010.0      Ce1n100g2012
         QG2    63 ILE  HG13    6.60  #     5M    4896.0      Ce1n100g2111
         QG2    63 ILE  QD1     5.20  # m   5M   30200.0      Ce1n100g1721
         QG2    67 GLU- HB2     7.00  #   w 5M    2484.9      290K_n102614
         QG2    68 PHE  HA      7.00  #   w 5M    2777.8      290K_n102725
         QG2    71 MET  HN      6.10 >#     5M    6723.0      290K_n102010
         QG2    71 MET  HB2     5.40  #     5M   11394.0      290K_n102183
         QG2    71 MET  HG2     4.90  #     5M   16614.0      290K_n102253
 56 ASP- 
         HN     56 ASP- HA      2.70  #     2   144500.0    ! Ce1n100g1365
         HN     56 ASP- QB      4.70  # i   2    11930.0*2    Ce1n100g1363
         HA     56 ASP- QB      3.90  # i   2    44887.5*2    290K_n101010
         HA     63 ILE  QG2     6.80  #     5M    4364.1      290K_n102809
 58 ASP- 
         HN     58 ASP- HA      4.50  #     2     7029.0      Ce1n30h21712
         HA     58 ASP- HB2     2.70  #     2   149100.0      Ce1n100g 855
         HA     58 ASP- HB3     2.80  #     2   115900.0      Ce1n100g 856
         HA     59 GLY  HN      5.70  #     2     1623.6      290K_n102576
 59 GLY  
         HN     59 GLY  HA1     2.90 <#     2    97020.0      Ce1n30h21707
         HN     59 GLY  HA2     3.50 >#     2    30540.0      Ce1n30h21708
 60 ASN  
         HN     61 GLY  HN      3.90  #     2    16848.0      Ce1n30h21694
         HA     60 ASN  HB2     3.00  #     2    92520.0      Ce1n100g 847
         HA     60 ASN  HB3     3.10  #     2    71100.0      Ce1n100g 850
 61 GLY  
         HN     61 GLY  HA1     3.90  #     2    17577.0      Ce1n30h21696
 62 THR  
         HA     63 ILE  HN      3.00  #     2    85090.0      Ce1n100g2433
         HA     63 ILE  HG13    5.10  #     5     2937.6      290K_n102103
 63 ILE  
         HN     63 ILE  HB      3.40  #     2    38722.5      290K_n101732
         HN     63 ILE  HG13    3.60  #     1    12080.0      Ce1n100g2115
         HB     63 ILE  QG2     3.60  #     1M   68360.0      Ce1n100g1659
         HB     63 ILE  HG12    3.20  #     1    18240.0      Ce1n100g1649
         HB     63 ILE  HG13    2.90  #     1    29900.0      Ce1n100g1662
         HB     63 ILE  QD1     3.70  #     1M   55800.0    ! 290K_n101663
         QG2    63 ILE  HG12    4.50  #     1M   18250.0      Ce1n100g1724
         QG2    63 ILE  HG13    4.60  #     1M   14719.5      290K_n101727
         QG2    63 ILE  QD1     4.80  # m   1M   52450.0      Ce1n100g1725
         QG2    67 GLU- HN      7.00  #   w 5M    1805.4      290K_n102542
         QG2    67 GLU- HB2     4.60  #     5M   21217.5      290K_n102615
         QG2    68 PHE  HN      4.30  #     5M   28400.0      Ce1n100g1061
         QG2    68 PHE  HA      3.90  #     5M   39856.5      290K_n101090
         QG2    68 PHE  QB      5.80  # m   5M   18410.0*2    Ce1n100g1091
         QG2    68 PHE  CG      7.10  # r   5M   14590.0*2    Ce1n100g1919
         HG12   63 ILE  QD1     3.70  #     1M   54200.0      Ce1n100g1651
         HG13   63 ILE  QD1     3.50  #     1M   80040.0      Ce1n100g1655
         QD1    68 PHE  HN      7.00  #   w 5M    2104.6      290K_n102792
         QD1    68 PHE  HA      4.60  #     5M   20871.0      290K_n101925
         QD1    68 PHE  CG      8.80  # r   5M    4439.5*2    Ce1n100g2018
 64 ASP- 
         HN     67 GLU- HB2     3.70  #     3    29019.0      Ce1n30h21700
         HA     64 ASP- HB2     4.20 >#     2    10417.5      290K_n101680
         HA     64 ASP- HB3     3.50 <#     2    33310.0      Ce1n100g1682
         HA     65 PHE  HN      3.40  #     2    36470.0      Ce1n100g1685
         HB2    65 PHE  HN      4.90 >#     2     4073.0      Ce1n100g1683
         HB3    65 PHE  HN      3.20 <#     2    59370.0      Ce1n30h21611
 65 PHE  
         HN     65 PHE  HA      3.60  #     2    26560.0      Ce1n100g1394
         HN     65 PHE  HB2     3.20  #     2    55140.0      Ce1n100g1272
         HN     65 PHE  HB3     3.10  #     2    63880.0      Ce1n100g1278
         HN     65 PHE  CG      6.00  # r   1     7595.0*2    Ce1n100g1759
         HN     66 PRO  HD2     3.50  #     5    31180.0      Ce1n100g1396
         HN     66 PRO  HD3     3.70  #     5    22210.0      Ce1n100g1395
         HA     65 PHE  HB2     3.90 >#     2    16660.0      Ce1n100g1588
         HA     65 PHE  HB3     3.20 <#     2    52660.0      Ce1n100g1589
         HA     65 PHE  CG      3.40  # m   1    62100.0*2    Ce1n100g1606
         HA     65 PHE  CZ      5.40  # i   1     3518.0*2    Ce1n100g1464
         HA     68 PHE  HN      3.90  #     3    18500.0      Ce1n100g1060
         HA     68 PHE  QB      5.20  # m   3    13485.0*2    Ce1n100g1092
         HA     68 PHE  CG      6.60  # r   5     5905.0*2    Ce1n100g1607
         HA     69 LEU  HN      4.60  #     3     7409.0      Ce1n100g1095
         HB2    65 PHE  CG      4.40  # r   1    61650.0*2    Ce1n100g1609
         HB2    65 PHE  CZ      8.00  # r w 1     1422.0*2    Ce1n100g1267
         HB2    66 PRO  HD3     4.20  #     5     9575.0      Ce1n100g1590
         HB3    65 PHE  CG      4.60  # r   1    43750.0*2    Ce1n100g2338
         HB3    66 PRO  HD3     4.20  #     5    10000.0      Ce1n100g1591
         CG     65 PHE  CZ      6.30  # rr  1    78425.0*2*2  Ce1n100g 914
         CG     65 PHE  HZ      5.50  # r   1    12360.0*2    Ce1n100g 913
         CG     66 PRO  HA      6.90  # r   5     3907.0*2    Ce1n100g2045
         CG     66 PRO  HD3     6.30  # r   5     8270.0*2    Ce1n100g2046
         CG     68 PHE  CG      8.30  # rr  5     8567.5*2*2  Ce1n100g1270
         CG     69 LEU  QD1     7.70  # r   5M    9320.0*2    Ce1n100g 829
         CG     69 LEU  QD2     8.00  # r   5M    7275.0*2    Ce1n100g1614
         CZ     65 PHE  HZ      4.00  # r   1   123700.0*2    Ce1n100g 912
         CZ     68 PHE  CG      8.20  # rr  5    10060.0*2*2  Ce1n100g1463
         CZ     68 PHE  CZ      8.20  # rr  5     9800.0*2*2  Ce1n100g2301
         CZ     69 LEU  HB3     6.50  # r   5     6817.5*2    290K_n102044
         CZ     69 LEU  HG      6.70  # r   5     4971.0*2    Ce1n100g1502
         CZ     69 LEU  QD1     6.50  # r   5M   22990.0*2    Ce1n100g1500
         CZ     69 LEU  QD2     6.70  # r   5M   19785.0*2    Ce1n100g1501
         HZ     69 LEU  HG      4.40  #     5     7632.0    ! Ce1n100g1522
         HZ     69 LEU  QD1     4.80 >#     5M   18440.0      Ce1n100g1613
         HZ     69 LEU  QD2     3.90 <#     5M   44100.0      Ce1n100g2242
 66 PRO  
         HA     66 PRO  HB2     2.80 <#     2   134000.0      Ce1n100g1565
         HA     66 PRO  HB3     3.70 >#     2    22000.0      Ce1n100g1566
         HA     66 PRO  HG2     3.60  #     1    11560.0      Ce1n100g1594
         HA     66 PRO  HG3     3.60  #     1    11420.0      Ce1n100g1563
         HA     67 GLU- HN      6.00  #   w 2      690.3      290K_n102780
         HA     69 LEU  HN      4.10  #     3    15640.0      Ce1n100g1055
         HA     69 LEU  HB2     4.20  #     3    12717.0      290K_n102650
         HA     69 LEU  HB3     3.80  #     3    21710.0      Ce1n100g1602
         HA     69 LEU  HG      3.80  #     5    16843.5    ! 290K_n101604
         HA     69 LEU  QD1     3.40 <#     5M   75180.0      Ce1n100g1603
         HA     69 LEU  QD2     6.00 >#     5M    7581.0      Ce1n100g1605
         HA     70 THR  HN      5.10  #     3     3876.0      Ce1n100g1599
         HB2    66 PRO  HG2     2.10  #     1    97290.0      290K_n101598
         HB2    66 PRO  HG3     2.20  #     1    85000.0      Ce1n100g1082
         HB2    66 PRO  HD2     2.80  #     1    31710.0      Ce1n100g1083
         HB2    66 PRO  HD3     3.40  #     1    14590.0      Ce1n100g1561
         HB2    67 GLU- HN      3.80 <#     2    18530.0      Ce1n100g1085
         HB3    66 PRO  HG3     2.00  #     1   141000.0      Ce1n100g1078
         HB3    66 PRO  HD2     3.50  #     1    13000.0      Ce1n100g1077
         HB3    66 PRO  HD3     2.50  #     1    47250.0      Ce1n100g1080
         HB3    67 GLU- HN      4.80 >#     2     4674.0      Ce1n100g1068
         HG2    66 PRO  HD2     3.50  #     1    13000.0      Ce1n100g1596
         HG2    66 PRO  HD3     2.50  #     1    47250.0      Ce1n100g1595
         HG2    67 GLU- HN      4.80  #     5     4623.0      Ce1n100g2494
         HG3    66 PRO  HD2     2.60  #     1    42560.0      Ce1n100g1076
         HG3    66 PRO  HD3     2.20  #     1    89030.0      Ce1n100g1079
         HG3    67 GLU- HN      5.10  #     5     2948.0      Ce1n100g1568
         HD2    67 GLU- HN      5.30 >#     5     2328.0      Ce1n100g1073
         HD3    67 GLU- HN      3.70 <#     5    19930.0      Ce1n100g1065
 67 GLU- 
         HN     67 GLU- HA      3.60  #     2    27000.0      Ce1n100g   3
         HN     67 GLU- HB2     3.70 <#     2    22200.0      Ce1n100g1066
         HN     67 GLU- HB3     4.30 >#     2     9692.0      Ce1n100g1069
         HN     68 PHE  HN      3.40  #     2    41750.0      Ce1n100g1056
         HN     69 LEU  HN      5.60  #     3     2305.0      Ce1n100g1743
         HA     67 GLU- HB3     3.20  #     2    62145.0      290K_n101750
         HA     68 PHE  HN      4.10  #     2    12163.5      290K_n101063
         HA     70 THR  HN      4.20  #     3    12330.0    ! Ce1n100g1475
         HB2    68 PHE  HN      4.50  #     2     7114.0      Ce1n100g1062
 68 PHE  
         HN     68 PHE  HA      3.00  #     2    78320.0      Ce1n100g   6
         HN     68 PHE  QB      4.10  # i   2    31675.0*2    Ce1n100g   9
         HN     68 PHE  CG      6.00  # r   1     7660.0*2    Ce1n100g2087
         HN     69 LEU  HN      3.30  #     2    44000.0      Ce1n100g1053
         HN     69 LEU  HG      5.10  #     5     3019.5      290K_n102544
         HN     70 THR  HN      5.20  #     3     3415.0      Ce1n100g1807
         HA     68 PHE  QB      3.70  # m   2   156250.0*2    Ce1n100g   8
         HA     68 PHE  CG      3.20  # m   1    87650.0*2    Ce1n100g1277
         HA     69 LEU  HN      3.50  #     2    35320.0    ! Ce1n100g1087
         HA     71 MET  HN      4.00  #     3    16430.0      Ce1n100g1376
         HA     71 MET  HB2     3.80 <#     3    23490.0      Ce1n100g2468
         HA     71 MET  HB3     4.30 >#     3    11530.0      Ce1n100g2410
         QB     68 PHE  CG      6.20  # mr  1    19365.0*2*2  Ce1n100g1276
         QB     69 LEU  HN      5.10  # m   2    13215.0*2    Ce1n100g1049
         CG     68 PHE  CZ      6.40  # rr  1    64600.0*2*2  Ce1n100g 908
         CG     68 PHE  HZ      5.00  # r   1    23130.0*2    290K_n10 907
         CG     69 LEU  HN      6.50  # r   5     6845.0*2    Ce1n100g1051
         CG     69 LEU  HA      6.90  # r   5     4097.5*2    Ce1n100g1545
         CG     69 LEU  HB2     6.80 ># r   5     4332.0*2    Ce1n100g2029
         CG     69 LEU  HB3     6.10 <# r   5    12090.0*2    Ce1n100g2322
         CG     69 LEU  QD2     7.40  # r   5M   11660.0*2    Ce1n100g2223
         CG     72 MET  QE      8.90  # r   5M    4208.0*2    Ce1n100g2484
         CZ     68 PHE  HZ      4.00  # r   1   181450.0*2    Ce1n100g 906
         CZ     69 LEU  HB3     6.20  # r   5     9625.0*2    Ce1n100g1548
         CZ     69 LEU  QD2     9.00  # r w 5M    2208.5*2    Ce1n100g2225
         CZ     72 MET  QE      7.60  # r   5M    9790.0*2    Ce1n100g2485
         HZ     72 MET  QE      5.40  #     5M   11043.0      290K_n102052
 69 LEU  
         HN     69 LEU  HA      3.30  #     2    44680.0      Ce1n100g 239
         HN     69 LEU  HB2     3.10 <#     2    63410.0      Ce1n100g1012
         HN     69 LEU  HB3     3.50 >#     2    31000.5      290K_n10 240
         HN     69 LEU  HG      3.60  #     1    11500.0      Ce1n100g2155
         HN     69 LEU  QD1     4.40  #     1M   19710.0      Ce1n100g1013
         HN     69 LEU  QD2     4.60  #     1M   15736.5      290K_n101014
         HN     70 THR  HN      3.30  #     2    49830.0      Ce1n100g1466
         HA     69 LEU  HB2     3.20  #     2    55620.0      Ce1n100g1020
         HA     69 LEU  HB3     2.90  #     2    98460.0      Ce1n100g 241
         HA     69 LEU  HG      3.10  #     1    22740.0      Ce1n100g2156
         HA     69 LEU  QD1     4.50 >#     1M   16370.0      Ce1n100g1029
         HA     69 LEU  QD2     3.30 <#     1M  125100.0      Ce1n100g1032
         HA     70 THR  HN      3.80  #     2    19100.0      Ce1n100g1470
         HA     72 MET  HN      4.00  #     3    15930.0      Ce1n100g1478
         HA     72 MET  QB      5.40  # m   3     9868.5*2    290K_n102910
         HA     72 MET  HG3     4.30  #     5     8590.5      290K_n102871
         HA     73 ALA  HN      4.50  #     3     8892.0      290K_n101483
         HB2    69 LEU  HG      2.50  #     1    55395.0      290K_n101038
         HB2    69 LEU  QD1     3.10  #     1M  173800.0      Ce1n100g1022
         HB2    69 LEU  QD2     4.10  #     1M   28656.0      290K_n101023
         HB2    70 THR  HN      3.60 <#     2    28440.0      Ce1n100g1471
         HB2    70 THR  QG2     4.90  #     5M   17160.0      Ce1n100g2513
         HB3    69 LEU  QD1     3.50  #     1M   77480.0      Ce1n100g2157
         HB3    69 LEU  QD2     3.30  #     1M  105300.0      Ce1n100g1024
         HB3    70 THR  HN      4.10 >#     2    12658.5      290K_n101472
         HG     69 LEU  QD1     3.30  #     1M  113400.0      Ce1n100g1027
         HG     69 LEU  QD2     3.40  #     1M  100600.0      Ce1n100g1034
         QD1    70 THR  HN      6.30  #     5M    5975.0      Ce1n100g1473
         QD2    70 THR  HN      6.60  #     5M    4900.0      Ce1n100g1474
 70 THR  
         HN     70 THR  HA      3.10  #     2    71160.0      Ce1n100g 641
         HN     70 THR  HB      2.80  #     2   128400.0      Ce1n100g 640
         HN     70 THR  QG2     3.60  #     1M   64650.0      Ce1n100g 642
         HA     70 THR  HB      3.30  #     2    44163.0      290K_n10 643
         HA     70 THR  QG2     3.70  #     1M   60075.0    ! 290K_n10 649
         HA     73 ALA  HN      3.90  #     3    21492.0      290K_n101482
         HA     73 ALA  QB      3.30  #     3M   43070.0      Ce1n100g2496
         HB     70 THR  QG2     3.30  #     1M  105500.0      Ce1n100g 650
         QG2    71 MET  HA      5.40  #     5M   11506.5      290K_n102414
 71 MET  
         HN     71 MET  HA      3.30  #     2    50710.0      Ce1n100g 610
         HN     71 MET  HB2     3.30  #     2    51030.0      290K_n10 613
         HN     71 MET  HB3     3.20  #     2    52560.0      Ce1n100g 634
         HN     71 MET  HG2     4.00  #     1     7362.0      290K_n10 611
         HN     71 MET  HG3     3.70  #     1     9877.5      290K_n102632
         HN     72 MET  HN      3.10  #     2    63450.0      290K_n102291
         HA     71 MET  HB2     3.50  #     2    35310.0      Ce1n100g 631
         HA     71 MET  HB3     3.20  #     2    60640.0      Ce1n100g 633
         HA     71 MET  HG2     2.50 <#     1    50400.0      290K_n10 616
         HA     71 MET  HG3     3.20 >#     1    19930.5      290K_n10 617
         HA     72 MET  HN      4.30  #     2     9981.0      290K_n101479
         HA     74 ARG+ HN      3.60  #     3    30880.0      Ce1n100g1487
         HA     74 ARG+ HE      4.50  #     5     6300.0      290K_n102315
         HB2    71 MET  HG2     2.80  #     1    31342.5      290K_n10 623
         HB2    71 MET  HG3     2.50  #     1    47530.0      Ce1n100g 639
         HB2    72 MET  HN      3.40  #     2    35960.0      Ce1n100g1477
         HB3    71 MET  HG2     2.90  #     1    26230.0      Ce1n100g 622
         HB3    71 MET  HG3     2.90  #     1    27819.0      290K_n10 628
         HB3    72 MET  HN      3.50  #     2    35450.0      Ce1n100g1476
 72 MET  
         HN     72 MET  HA      3.20  #     2    53770.0      Ce1n100g 586
         HN     72 MET  QB      4.20  # i   2    28410.0*2    Ce1n100g 589
         HN     72 MET  HG2     2.40 <#     1    55665.0      290K_n10 588
         HN     72 MET  HG3     2.90 >#     1    27800.0      Ce1n100g 587
         HA     72 MET  QB      5.00  # m   2    15565.0*2    Ce1n100g 596
         HA     72 MET  HG2     2.80 <#     1    34070.0      Ce1n100g 598
         HA     72 MET  HG3     3.70 >#     1     9967.5      290K_n10 591
         HA     73 ALA  HN      4.00  #     2    14750.0      Ce1n100g1481
         HA     75 LYS+ HN      4.30  #     3    11710.0      Ce1n100g1498
         QB     72 MET  HG2     3.10  # m   1    98000.0*2    Ce1n100g 603
         QB     72 MET  HG3     3.30  # m   1    76550.0*2    Ce1n100g 602
         QB     72 MET  QE      7.10  # m   1M    2711.5*2    Ce1n100g2488
         QB     73 ALA  HN      5.30  # m   2     9515.0*2    Ce1n100g1480
         HG2    72 MET  QE      3.70  #     1M   60000.0      Ce1n100g2489
 73 ALA  
         HN     73 ALA  HA      3.20  #     2    59100.0      Ce1n100g 604
         HN     73 ALA  QB      3.00  #   s 2M  154890.0      290K_n10 605
         HA     73 ALA  QB      3.00  #   s 2M  174200.0      Ce1n100g 608
         HA     74 ARG+ HN      3.60  #     2    26455.5    ! 290K_n101486
         QB     74 ARG+ HN      3.30  #     2M   43317.0      290K_n101488
 74 ARG+ 
         HN     74 ARG+ HA      3.20  #     2    61920.0      Ce1n100g 652
         HN     74 ARG+ HB2     3.80 >#     2    19430.0      Ce1n100g 654
         HN     74 ARG+ HB3     3.00 <#     2    91930.0      Ce1n100g 655
         HN     74 ARG+ QG      5.00  # m   1     7440.0*2    Ce1n100g 656
         HN     74 ARG+ QD      4.60  # m   1    11005.0*2    Ce1n100g 663
         HN     75 LYS+ HN      3.70  #     2    24250.0      Ce1n100g1157
         HA     74 ARG+ HB2     3.40  #     2    36540.0      Ce1n100g 668
         HA     74 ARG+ HB3     3.40  #     2    35890.0      Ce1n100g 672
         HA     74 ARG+ QG      3.70  # i   1    21253.5*2    290K_n102643
         HA     74 ARG+ QD      5.80  # m   1     3746.2*2    290K_n102642
         HA     75 LYS+ HN      3.00  #     2    88910.0      Ce1n100g1484
         HB2    74 ARG+ QG      3.20  # m   1    85000.0*2    Ce1n100g 679
         HB2    74 ARG+ QD      4.40 ># m   1    14069.2*2    290K_n10 667
         HB2    74 ARG+ HE      4.50 >#     1     4518.0      290K_n102897
         HB3    74 ARG+ QD      3.70 <# m   1    37462.5*2    290K_n10 671
         HB3    74 ARG+ HE      3.30 <#     1    17478.0      290K_n10 834
         QG     74 ARG+ QD      5.40  # mm  1    14771.2*2*2  290K_n10 675
         QG     74 ARG+ HE      6.00  # m   1     3070.5*2    Ce1n100g 835
         QD     74 ARG+ HE      4.10  # m   1    22400.0*2    Ce1n100g 839
 75 LYS+ 
         HN     75 LYS+ HA      4.40  #     2     8696.0      Ce1n100g 517
         HN     75 LYS+ HB2     3.30  #     2    49090.0      Ce1n100g 518
         HN     75 LYS+ HB3     3.50  #     2    31740.0      Ce1n100g 519
         HN     75 LYS+ QG      3.70  # m   1    40220.0*2    Ce1n100g 524
         HA     75 LYS+ HB2     3.00 <#     2    92500.0      Ce1n100g 532
         HA     75 LYS+ HB3     4.30 >#     2     8834.0      Ce1n100g 533
         HA     75 LYS+ QG      3.30  # i   1    40000.0*2    Ce1n100g 534
         HB2    75 LYS+ QG      4.20 ># m   1    18750.0*2    Ce1n100g 528
         HB3    75 LYS+ QG      3.40 <# m   1    60000.0*2    Ce1n100g 527
         QG     75 LYS+ QD      4.90  # mm  1    27150.0*2*2  Ce1n100g2536
         QG     75 LYS+ QE      6.90  # mm  1     3321.0*2*2  290K_n102691
         QD     75 LYS+ QE      5.20  # mm  1    17975.0*2*2  Ce1n100g2534
#
# constraints for coordination
#
105 LTNS
         ME     20 ASP- OD2     3.00
         ME     22 ASP- OD2     3.00
         ME     24 ASP- OD2     3.00
         ME     26 THR  O       3.00
         ME     31 GLU- OE2     3.00
135 LTNS
         ME     56 ASP- OD2     3.00
         ME     58 ASP- OD2     3.00
         ME     60 ASN  OD1     3.00
         ME     62 THR  O       3.00
         ME     67 GLU- OE2     3.00
#
#  T1's
#
105 LTNS
         ME     26 THR  HN      4.00
         ME     25 GLY  HN      4.90
         ME     22 ASP- HN      4.40
         ME     24 ASP- HN      4.30
         ME     20 ASP- HA      4.40
         ME     20 ASP- HB2     5.25
         ME     27 ILE  HA      4.55
135 LTNS
         ME     60 ASN  HN      3.85
         ME     64 ASP- HN      4.05
         ME     61 GLY  HN      4.70
         ME     59 GLY  HN      4.70
         ME     58 ASP- HN      4.40

#
# Constraints from 1D-NOE difference spectra:
# distances calculated with the steady-state approximation
# assumed selective T1i = 150 ms
# 0.5 A added for distances involving methyls or CZ/CG of Phe
#
 20 ASP-
         HA     20 ASP- HN      3.00
         HA     20 ASP- HB2     2.70
         HA     20 ASP- HB3     3.10
         HA     21 LYS+ HN      2.60
         HA     27 ILE  HG12    3.00
         HA     27 ILE  QG2     4.20
         HA     27 ILE  QD1     4.50
         HA     31 GLU- HB3     4.20
         HB2    16 PHE  CZ      3.90
         HB2    20 ASP- HN      2.90
         HB2    20 ASP- HA      3.00
         HB2    20 ASP- HB3     2.10
         HB2    27 ILE  HG13    3.35
         HB2    27 ILE  QD1     4.00
 22 ASP-
         HN     21 LYS+ HN      2.95
         HN     23 GLY  HN      2.75
 24 ASP-
         HN     22 ASP- HN      5.00
         HN     23 GLY  HN      3.25 
         HN     25 GLY  HN      2.75
 25 GLY 
         HN     24 ASP- HN      3.00
         HN     25 GLY  HA2     3.00
         HN     25 GLY  HA1     2.65
         HN     26 THR  HN      3.25
 26 THR 
         HN     16 PHE  HZ      3.95
         HN     16 PHE  CZ      4.60
         HN     25 GLY  HN      2.75
         HN     25 GLY  HA2     3.60
         HN     25 GLY  HA1     3.50
         HN     26 THR  HA      3.10
         HN     27 ILE  HN      4.40
 27 ILE 
         HA     27 ILE  HN      3.50
         HA     27 ILE  HB      3.30
         HA     27 ILE  HG12    3.00
         HA     27 ILE  HG13    3.10
         HA     27 ILE  QG2     3.30
         HA     27 ILE  QD1     5.50
         HA     28 THR  HN      2.50
         HA     31 GLU- HB2     3.50
         HA     31 GLU- HB3     3.50
         HG12   20 ASP- HB2     5.00
         HG12   27 ILE  HG13    2.30
 58 ASP-
         HN     58 ASP- HA      3.10
         HN     59 GLY  HN      2.85
 59 GLY 
         HN     58 ASP- HN      3.40
         HN     58 ASP- HA      4.05
         HN     59 GLY  HA1     3.15
         HN     59 GLY  HA2     3.20
         HN     60 ASN  HN      4.00
 60 ASN 
         HN     58 ASP- HA      4.60
         HN     59 GLY  HN      3.00
         HN     59 GLY  HA1     3.20
         HN     59 GLY  HA2     3.60
         HN     60 ASN  HA      3.10
         HN     61 GLY  HN      3.00
 61 GLY 
         HN     59 GLY  HA1     3.15
         HN     60 ASN  HN      4.00
         HN     60 ASN  HA      3.80
         HN     61 GLY  HA1     3.05
 64 ASP-
         HN     16 PHE  CZ      4.90
         HN     26 THR  HA      4.75
         HN     56 ASP- HA      5.10
         HN     63 ILE  HN      4.55
         HN     63 ILE  HB      4.70
         HN     63 ILE  HG12    5.30
         HN     63 ILE  HG13    5.30
         HN     63 ILE  QG2     3.90
         HN     63 ILE  QD1     6.00
         HN     64 ASP- HA      3.00
         HN     64 ASP- HB2     3.45
         HN     64 ASP- HB3     3.70
         HN     65 PHE  HN      4.50
         HN     67 GLU- HN      3.40
         HN     67 GLU- HB2     2.90
         HN     67 GLU- HB3     4.10
         HN     68 PHE  HN      4.00
         HA     16 PHE  HZ      2.35
         HA     16 PHE  CZ      3.20
         HA     26 THR  HA      2.40
         HA     27 ILE  HG13    4.50
         HA     63 ILE  QG2     4.80
         HA     64 ASP- HB2     2.60
         HA     64 ASP- HB3     3.00
#
#  lower limits for coordination 
#
105 LTNS
         ME     20 ASP- OD2     2.00
         ME     22 ASP- OD2     2.00
         ME     24 ASP- OD2     2.00
         ME     26 THR  O       2.00
         ME     31 GLU- OE2     2.00
135 LTNS
         ME     56 ASP- OD2     2.00
         ME     58 ASP- OD2     2.00
         ME     60 ASN  OD1     2.00
         ME     62 THR  O       2.00
         ME     67 GLU- OE2     2.00
#
#  T1's
#
105 LTNS
         ME     26 THR  HN      3.40
         ME     25 GLY  HN      4.30
         ME     22 ASP- HN      3.80
         ME     24 ASP- HN      3.70
         ME     20 ASP- HA      3.80
         ME     20 ASP- HB2     4.65
         ME     27 ILE  HA      3.60 
135 LTNS
         ME     60 ASN  HN      3.25
         ME     64 ASP- HN      3.45
         ME     61 GLY  HN      4.10
         ME     59 GLY  HN      4.10
         ME     58 ASP- HN      3.80


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   0           H        MET   0 -10.453 -23.198   6.636
    2    HA   MET   0           HA       MET   0  -9.591 -25.980   6.469
    3   1HB   MET   0          1HB       MET   0 -12.258 -24.767   7.069
    4   2HB   MET   0          2HB       MET   0 -12.314 -26.020   5.845
    5   1HG   MET   0          1HG       MET   0 -11.244 -27.635   7.358
    6   2HG   MET   0          2HG       MET   0 -10.953 -26.390   8.556
    7   1HE   MET   0          3HE       MET   0 -11.792 -27.773  10.186
    8   2HE   MET   0          1HE       MET   0 -12.849 -26.459  10.756
    9   3HE   MET   0          2HE       MET   0 -13.497 -28.107  10.572
   10    H    ALA   1           H        ALA   1 -11.548 -23.365   4.874
   11    HA   ALA   1           HA       ALA   1 -10.229 -23.968   2.376
   12   1HB   ALA   1          2HB       ALA   1 -12.984 -24.831   3.019
   13   2HB   ALA   1          3HB       ALA   1 -12.843 -23.895   1.511
   14   3HB   ALA   1          1HB       ALA   1 -11.884 -25.379   1.731
   15    H    ASP   2           H        ASP   2 -11.612 -22.401   0.643
   16    HA   ASP   2           HA       ASP   2 -11.593 -19.844   2.039
   17   1HB   ASP   2          1HB       ASP   2 -10.439 -20.797  -0.485
   18   2HB   ASP   2          2HB       ASP   2 -11.466 -19.404  -0.763
   19    H    GLN   3           H        GLN   3 -12.902 -18.190   0.270
   20    HA   GLN   3           HA       GLN   3 -15.032 -19.230  -1.106
   21   1HB   GLN   3          1HB       GLN   3 -15.548 -19.756   1.495
   22   2HB   GLN   3          2HB       GLN   3 -16.169 -18.118   1.442
   23   1HG   GLN   3          1HG       GLN   3 -17.822 -18.648  -0.171
   24   2HG   GLN   3          2HG       GLN   3 -16.962 -20.066  -0.737
   25   1HE2  GLN   3          2HE2      GLN   3 -19.882 -21.179   1.255
   26   2HE2  GLN   3          1HE2      GLN   3 -19.593 -20.237  -0.170
   27    H    LEU   4           H        LEU   4 -16.192 -17.549  -2.176
   28    HA   LEU   4           HA       LEU   4 -14.886 -15.113  -2.360
   29   1HB   LEU   4          1HB       LEU   4 -17.072 -14.432  -3.519
   30   2HB   LEU   4          2HB       LEU   4 -16.087 -15.702  -4.217
   31    HG   LEU   4           HG       LEU   4 -18.077 -16.791  -2.388
   32   1HD1  LEU   4          1HD1      LEU   4 -18.948 -14.672  -4.223
   33   2HD1  LEU   4          2HD1      LEU   4 -19.820 -16.210  -4.426
   34   3HD1  LEU   4          3HD1      LEU   4 -19.780 -15.413  -2.835
   35   1HD2  LEU   4          3HD2      LEU   4 -16.636 -17.704  -4.486
   36   2HD2  LEU   4          1HD2      LEU   4 -18.125 -18.473  -3.887
   37   3HD2  LEU   4          2HD2      LEU   4 -18.192 -17.375  -5.286
   38    H    THR   5           H        THR   5 -16.743 -13.054  -2.235
   39    HA   THR   5           HA       THR   5 -17.529 -11.536  -0.812
   40    HB   THR   5           HB       THR   5 -19.379 -12.266   0.440
   41    HG1  THR   5           HG1      THR   5 -17.887 -14.744   0.898
   42   1HG2  THR   5          3HG2      THR   5 -19.261 -13.572  -1.852
   43   2HG2  THR   5          1HG2      THR   5 -18.814 -14.968  -0.841
   44   3HG2  THR   5          2HG2      THR   5 -20.383 -14.161  -0.601
   45    H    GLU   6           H        GLU   6 -17.871 -11.841   2.130
   46    HA   GLU   6           HA       GLU   6 -15.737 -10.630   3.034
   47   1HB   GLU   6          1HB       GLU   6 -17.426 -12.758   4.388
   48   2HB   GLU   6          2HB       GLU   6 -16.161 -11.924   5.269
   49   1HG   GLU   6          1HG       GLU   6 -17.277  -9.722   4.378
   50   2HG   GLU   6          2HG       GLU   6 -18.653 -10.737   3.997
   51    H    GLU   7           H        GLU   7 -16.024 -14.260   3.187
   52    HA   GLU   7           HA       GLU   7 -13.640 -14.880   4.163
   53   1HB   GLU   7          1HB       GLU   7 -15.355 -16.175   2.049
   54   2HB   GLU   7          2HB       GLU   7 -13.780 -16.870   2.376
   55   1HG   GLU   7          1HG       GLU   7 -15.075 -16.274   4.904
   56   2HG   GLU   7          2HG       GLU   7 -16.193 -17.175   3.899
   57    H    GLN   8           H        GLN   8 -14.324 -14.014   0.718
   58    HA   GLN   8           HA       GLN   8 -11.902 -14.537  -0.355
   59   1HB   GLN   8          1HB       GLN   8 -14.133 -13.534  -1.362
   60   2HB   GLN   8          2HB       GLN   8 -13.357 -11.987  -1.088
   61   1HG   GLN   8          1HG       GLN   8 -12.127 -12.253  -2.970
   62   2HG   GLN   8          2HG       GLN   8 -11.395 -13.699  -2.302
   63   1HE2  GLN   8          2HE2      GLN   8 -14.788 -13.995  -4.683
   64   2HE2  GLN   8          1HE2      GLN   8 -14.489 -12.606  -3.691
   65    H    ILE   9           H        ILE   9 -12.955 -11.446   1.239
   66    HA   ILE   9           HA       ILE   9 -10.684  -9.990   0.916
   67    HB   ILE   9           HB       ILE   9 -13.034  -9.663   2.191
   68   1HG1  ILE   9          1HG1      ILE   9 -11.676  -7.528   3.165
   69   2HG1  ILE   9          2HG1      ILE   9 -10.522  -8.094   1.974
   70   1HG2  ILE   9          3HG2      ILE   9 -12.212 -10.951   4.161
   71   2HG2  ILE   9          1HG2      ILE   9 -10.989  -9.686   4.424
   72   3HG2  ILE   9          2HG2      ILE   9 -12.720  -9.287   4.539
   73   1HD1  ILE   9          2HD1      ILE   9 -13.363  -8.039   1.056
   74   2HD1  ILE   9          3HD1      ILE   9 -12.621  -6.453   1.377
   75   3HD1  ILE   9          1HD1      ILE   9 -11.880  -7.561   0.197
   76    H    ALA  10           H        ALA  10 -11.373 -12.493   3.429
   77    HA   ALA  10           HA       ALA  10  -9.267 -12.261   5.062
   78   1HB   ALA  10          2HB       ALA  10 -11.190 -14.099   4.695
   79   2HB   ALA  10          3HB       ALA  10  -9.823 -15.008   4.006
   80   3HB   ALA  10          1HB       ALA  10  -9.747 -14.423   5.686
   81    H    GLU  11           H        GLU  11  -9.231 -13.474   1.684
   82    HA   GLU  11           HA       GLU  11  -6.553 -14.326   1.829
   83   1HB   GLU  11          1HB       GLU  11  -8.282 -13.647  -0.591
   84   2HB   GLU  11          2HB       GLU  11  -6.750 -14.496  -0.658
   85   1HG   GLU  11          1HG       GLU  11  -7.659 -16.339   0.712
   86   2HG   GLU  11          2HG       GLU  11  -9.165 -15.471   0.938
   87    H    PHE  12           H        PHE  12  -8.215 -11.383   0.524
   88    HA   PHE  12           HA       PHE  12  -6.090 -10.113  -0.596
   89   1HB   PHE  12          1HB       PHE  12  -8.559  -9.285   0.995
   90   2HB   PHE  12          2HB       PHE  12  -7.454  -8.032   0.465
   91    HD1  PHE  12           HD2      PHE  12  -9.529 -10.841  -0.803
   92    HD2  PHE  12           HD1      PHE  12  -7.593  -7.175  -1.706
   93    HE1  PHE  12           HE2      PHE  12 -10.648 -10.804  -3.049
   94    HE2  PHE  12           HE1      PHE  12  -8.712  -7.138  -3.953
   95    HZ   PHE  12           HZ       PHE  12 -10.227  -8.953  -4.597
   96    H    LYS  13           H        LYS  13  -6.789 -10.630   2.848
   97    HA   LYS  13           HA       LYS  13  -5.424  -8.646   4.067
   98   1HB   LYS  13          1HB       LYS  13  -5.656 -11.585   4.729
   99   2HB   LYS  13          2HB       LYS  13  -4.841 -10.458   5.795
  100   1HG   LYS  13          1HG       LYS  13  -7.092  -9.024   5.410
  101   2HG   LYS  13          2HG       LYS  13  -7.760 -10.604   5.056
  102   1HD   LYS  13          1HD       LYS  13  -6.049 -10.473   7.503
  103   2HD   LYS  13          2HD       LYS  13  -7.541  -9.556   7.589
  104   1HE   LYS  13          1HE       LYS  13  -8.900 -11.473   7.329
  105   2HE   LYS  13          2HE       LYS  13  -7.637 -12.392   6.535
  106   1HZ   LYS  13          3HZ       LYS  13  -6.445 -12.287   8.711
  107   2HZ   LYS  13          1HZ       LYS  13  -7.822 -11.718   9.380
  108   3HZ   LYS  13          2HZ       LYS  13  -7.797 -13.202   8.699
  109    H    GLU  14           H        GLU  14  -3.975 -11.736   2.818
  110    HA   GLU  14           HA       GLU  14  -1.396 -11.139   3.482
  111   1HB   GLU  14          1HB       GLU  14  -2.421 -12.707   1.074
  112   2HB   GLU  14          2HB       GLU  14  -0.777 -12.771   1.679
  113   1HG   GLU  14          1HG       GLU  14  -2.053 -13.316   4.000
  114   2HG   GLU  14          2HG       GLU  14  -3.297 -13.877   2.901
  115    H    ALA  15           H        ALA  15  -3.276 -10.277   0.523
  116    HA   ALA  15           HA       ALA  15  -1.276  -9.261  -1.033
  117   1HB   ALA  15          2HB       ALA  15  -4.051  -9.368  -1.062
  118   2HB   ALA  15          3HB       ALA  15  -3.718  -7.620  -1.021
  119   3HB   ALA  15          1HB       ALA  15  -3.026  -8.627  -2.315
  120    H    PHE  16           H        PHE  16  -3.245  -7.478   1.451
  121    HA   PHE  16           HA       PHE  16  -1.992  -5.053   1.209
  122   1HB   PHE  16          1HB       PHE  16  -4.048  -5.706   2.577
  123   2HB   PHE  16          2HB       PHE  16  -3.000  -6.532   3.714
  124    HD1  PHE  16           HD1      PHE  16  -3.172  -3.150   2.120
  125    HD2  PHE  16           HD2      PHE  16  -2.597  -5.402   5.670
  126    HE1  PHE  16           HE1      PHE  16  -2.915  -1.023   3.428
  127    HE2  PHE  16           HE2      PHE  16  -2.340  -3.275   6.978
  128    HZ   PHE  16           HZ       PHE  16  -2.502  -1.111   5.842
  129    H    SER  17           H        SER  17  -0.900  -8.030   2.837
  130    HA   SER  17           HA       SER  17   1.018  -6.859   4.451
  131   1HB   SER  17          1HB       SER  17   0.078  -9.433   3.960
  132   2HB   SER  17          2HB       SER  17   1.723  -9.521   3.360
  133    HG   SER  17           HG       SER  17   2.191  -9.848   5.434
  134    H    LEU  18           H        LEU  18   1.251  -8.341   1.139
  135    HA   LEU  18           HA       LEU  18   3.848  -8.202   0.602
  136   1HB   LEU  18          1HB       LEU  18   1.395  -8.052  -0.904
  137   2HB   LEU  18          2HB       LEU  18   2.623  -7.053  -1.657
  138    HG   LEU  18           HG       LEU  18   4.045  -9.339  -1.164
  139   1HD1  LEU  18          2HD1      LEU  18   1.236 -10.060  -1.015
  140   2HD1  LEU  18          3HD1      LEU  18   2.065 -10.906  -2.344
  141   3HD1  LEU  18          1HD1      LEU  18   2.689 -11.033  -0.682
  142   1HD2  LEU  18          1HD2      LEU  18   3.493  -7.842  -3.306
  143   2HD2  LEU  18          2HD2      LEU  18   4.252  -9.447  -3.422
  144   3HD2  LEU  18          3HD2      LEU  18   2.505  -9.267  -3.710
  145    H    PHE  19           H        PHE  19   1.615  -5.353   0.260
  146    HA   PHE  19           HA       PHE  19   3.758  -3.577  -0.227
  147   1HB   PHE  19          1HB       PHE  19   0.810  -3.402   0.589
  148   2HB   PHE  19          2HB       PHE  19   1.763  -1.940   0.435
  149    HD1  PHE  19           HD1      PHE  19   0.330  -4.784  -1.399
  150    HD2  PHE  19           HD2      PHE  19   2.383  -1.085  -1.721
  151    HE1  PHE  19           HE1      PHE  19  -0.137  -4.740  -3.865
  152    HE2  PHE  19           HE2      PHE  19   1.917  -1.040  -4.187
  153    HZ   PHE  19           HZ       PHE  19   0.662  -2.868  -5.229
  154    H    ASP  20           H        ASP  20   1.847  -4.507   2.687
  155    HA   ASP  20           HA       ASP  20   3.117  -2.536   4.275
  156   1HB   ASP  20          1HB       ASP  20   0.965  -3.151   5.035
  157   2HB   ASP  20          2HB       ASP  20   1.241  -4.858   4.750
  158    H    LYS  21           H        LYS  21   5.396  -2.905   4.340
  159    HA   LYS  21           HA       LYS  21   6.307  -5.604   4.930
  160   1HB   LYS  21          1HB       LYS  21   7.332  -3.359   3.458
  161   2HB   LYS  21          2HB       LYS  21   8.468  -3.764   4.729
  162   1HG   LYS  21          1HG       LYS  21   7.311  -6.091   3.242
  163   2HG   LYS  21          2HG       LYS  21   8.369  -5.049   2.311
  164   1HD   LYS  21          1HD       LYS  21  10.239  -5.742   3.431
  165   2HD   LYS  21          2HD       LYS  21   9.454  -5.641   4.995
  166   1HE   LYS  21          1HE       LYS  21   8.240  -7.829   3.564
  167   2HE   LYS  21          2HE       LYS  21   9.977  -7.995   3.397
  168   1HZ   LYS  21          2HZ       LYS  21   9.946  -7.503   5.904
  169   2HZ   LYS  21          3HZ       LYS  21   8.383  -7.970   5.830
  170   3HZ   LYS  21          1HZ       LYS  21   9.566  -9.003   5.382
  171    H    ASP  22           H        ASP  22   4.790  -3.703   6.833
  172    HA   ASP  22           HA       ASP  22   6.873  -3.605   8.868
  173   1HB   ASP  22          1HB       ASP  22   4.632  -1.815   8.131
  174   2HB   ASP  22          2HB       ASP  22   4.676  -2.169   9.847
  175    H    GLY  23           H        GLY  23   3.857  -4.997   7.771
  176   1HA   GLY  23          1HA       GLY  23   2.441  -6.507   8.642
  177   2HA   GLY  23          2HA       GLY  23   3.742  -6.979   9.716
  178    H    ASP  24           H        ASP  24   2.853  -3.610   9.905
  179    HA   ASP  24           HA       ASP  24   1.924  -4.040  12.557
  180   1HB   ASP  24          1HB       ASP  24   1.692  -1.513  12.540
  181   2HB   ASP  24          2HB       ASP  24   3.300  -2.097  12.160
  182    H    GLY  25           H        GLY  25   0.628  -3.334   9.311
  183   1HA   GLY  25          1HA       GLY  25  -1.667  -4.066   8.941
  184   2HA   GLY  25          2HA       GLY  25  -2.106  -3.278  10.444
  185    H    THR  26           H        THR  26   0.349  -1.634   8.577
  186    HA   THR  26           HA       THR  26  -1.636   0.022   7.216
  187    HB   THR  26           HB       THR  26  -0.295   2.045   8.181
  188    HG1  THR  26           HG1      THR  26   1.403   1.148   9.316
  189   1HG2  THR  26          3HG2      THR  26  -2.575   0.769   9.159
  190   2HG2  THR  26          1HG2      THR  26  -1.490   0.742  10.570
  191   3HG2  THR  26          2HG2      THR  26  -1.912   2.291   9.801
  192    H    ILE  27           H        ILE  27  -0.784   1.264   5.453
  193    HA   ILE  27           HA       ILE  27   1.873   0.320   4.629
  194    HB   ILE  27           HB       ILE  27  -0.604   0.679   2.939
  195   1HG1  ILE  27          1HG1      ILE  27   0.985  -1.803   3.655
  196   2HG1  ILE  27          2HG1      ILE  27  -0.593  -1.379   4.287
  197   1HG2  ILE  27          2HG2      ILE  27   1.677   1.392   1.949
  198   2HG2  ILE  27          3HG2      ILE  27   2.037  -0.351   1.930
  199   3HG2  ILE  27          1HG2      ILE  27   0.643   0.279   1.020
  200   1HD1  ILE  27          2HD1      ILE  27   0.007  -1.763   1.318
  201   2HD1  ILE  27          3HD1      ILE  27  -0.699  -3.009   2.375
  202   3HD1  ILE  27          1HD1      ILE  27  -1.594  -1.505   2.052
  203    H    THR  28           H        THR  28   3.165   2.061   5.034
  204    HA   THR  28           HA       THR  28   2.148   4.729   4.645
  205    HB   THR  28           HB       THR  28   3.684   4.070   6.526
  206    HG1  THR  28           HG1      THR  28   3.942   6.238   5.990
  207   1HG2  THR  28          2HG2      THR  28   5.530   3.491   4.170
  208   2HG2  THR  28          3HG2      THR  28   6.187   3.999   5.745
  209   3HG2  THR  28          1HG2      THR  28   5.245   2.495   5.618
  210    H    THR  29           H        THR  29   4.731   5.812   3.691
  211    HA   THR  29           HA       THR  29   4.139   5.543   0.880
  212    HB   THR  29           HB       THR  29   6.052   7.323   0.850
  213    HG1  THR  29           HG1      THR  29   6.638   7.987   2.987
  214   1HG2  THR  29          2HG2      THR  29   3.520   7.866   1.002
  215   2HG2  THR  29          3HG2      THR  29   3.761   7.980   2.762
  216   3HG2  THR  29          1HG2      THR  29   4.623   9.093   1.671
  217    H    LYS  30           H        LYS  30   7.167   5.198   2.858
  218    HA   LYS  30           HA       LYS  30   8.730   4.123   0.914
  219   1HB   LYS  30          1HB       LYS  30   9.165   4.762   3.429
  220   2HB   LYS  30          2HB       LYS  30   8.885   3.057   3.718
  221   1HG   LYS  30          1HG       LYS  30  10.688   2.408   2.235
  222   2HG   LYS  30          2HG       LYS  30  10.830   4.028   1.583
  223   1HD   LYS  30          1HD       LYS  30  12.097   4.771   3.347
  224   2HD   LYS  30          2HD       LYS  30  11.131   3.917   4.534
  225   1HE   LYS  30          1HE       LYS  30  13.066   2.467   2.675
  226   2HE   LYS  30          2HE       LYS  30  13.572   3.114   4.223
  227   1HZ   LYS  30          1HZ       LYS  30  11.220   1.675   4.587
  228   2HZ   LYS  30          2HZ       LYS  30  12.255   0.739   3.738
  229   3HZ   LYS  30          3HZ       LYS  30  12.706   1.353   5.182
  230    H    GLU  31           H        GLU  31   6.660   2.263   3.254
  231    HA   GLU  31           HA       GLU  31   7.181  -0.206   2.282
  232   1HB   GLU  31          1HB       GLU  31   4.534   0.874   3.349
  233   2HB   GLU  31          2HB       GLU  31   4.916  -0.830   3.190
  234   1HG   GLU  31          1HG       GLU  31   6.807  -0.601   4.759
  235   2HG   GLU  31          2HG       GLU  31   6.573   1.134   4.842
  236    H    LEU  32           H        LEU  32   5.236   2.378   0.849
  237    HA   LEU  32           HA       LEU  32   3.953   0.605  -1.021
  238   1HB   LEU  32          1HB       LEU  32   3.185   2.904   0.073
  239   2HB   LEU  32          2HB       LEU  32   3.976   3.566  -1.344
  240    HG   LEU  32           HG       LEU  32   2.454   1.660  -2.525
  241   1HD1  LEU  32          2HD1      LEU  32   1.182   2.271   0.105
  242   2HD1  LEU  32          3HD1      LEU  32   0.135   2.132  -1.327
  243   3HD1  LEU  32          1HD1      LEU  32   1.181   0.772  -0.854
  244   1HD2  LEU  32          1HD2      LEU  32   2.154   4.559  -1.998
  245   2HD2  LEU  32          2HD2      LEU  32   2.206   3.661  -3.534
  246   3HD2  LEU  32          3HD2      LEU  32   0.702   3.712  -2.583
  247    H    GLY  33           H        GLY  33   6.710   2.901  -0.908
  248   1HA   GLY  33          1HA       GLY  33   7.248   2.650  -3.728
  249   2HA   GLY  33          2HA       GLY  33   8.205   3.483  -2.520
  250    H    THR  34           H        THR  34   7.383   0.342  -1.414
  251    HA   THR  34           HA       THR  34  10.090  -0.573  -2.048
  252    HB   THR  34           HB       THR  34   8.126  -0.872   0.174
  253    HG1  THR  34           HG1      THR  34  10.077  -0.066   0.858
  254   1HG2  THR  34          2HG2      THR  34   9.558  -3.230  -1.045
  255   2HG2  THR  34          3HG2      THR  34   9.636  -3.051   0.724
  256   3HG2  THR  34          1HG2      THR  34   8.059  -3.196  -0.087
  257    H    VAL  35           H        VAL  35   6.849  -2.173  -1.731
  258    HA   VAL  35           HA       VAL  35   7.423  -4.394  -3.170
  259    HB   VAL  35           HB       VAL  35   4.976  -2.791  -2.629
  260   1HG1  VAL  35          3HG1      VAL  35   5.174  -4.922  -4.758
  261   2HG1  VAL  35          1HG1      VAL  35   3.664  -4.658  -3.852
  262   3HG1  VAL  35          2HG1      VAL  35   4.363  -3.339  -4.822
  263   1HG2  VAL  35          1HG2      VAL  35   6.035  -5.535  -1.980
  264   2HG2  VAL  35          2HG2      VAL  35   5.495  -4.240  -0.884
  265   3HG2  VAL  35          3HG2      VAL  35   4.300  -5.175  -1.814
  266    H    MET  36           H        MET  36   6.877  -1.084  -4.347
  267    HA   MET  36           HA       MET  36   6.258  -1.555  -6.939
  268   1HB   MET  36          1HB       MET  36   8.101   0.543  -5.673
  269   2HB   MET  36          2HB       MET  36   7.556   0.650  -7.335
  270   1HG   MET  36          1HG       MET  36   5.293   0.149  -5.538
  271   2HG   MET  36          2HG       MET  36   6.182   1.571  -5.030
  272   1HE   MET  36          2HE       MET  36   3.515   0.292  -6.746
  273   2HE   MET  36          3HE       MET  36   3.057   1.953  -6.300
  274   3HE   MET  36          1HE       MET  36   3.045   1.456  -8.009
  275    H    ARG  37           H        ARG  37   9.360  -2.030  -5.277
  276    HA   ARG  37           HA       ARG  37  11.036  -1.971  -7.431
  277   1HB   ARG  37          1HB       ARG  37  12.596  -3.199  -6.042
  278   2HB   ARG  37          2HB       ARG  37  11.650  -2.196  -4.960
  279   1HG   ARG  37          1HG       ARG  37  10.079  -4.425  -4.962
  280   2HG   ARG  37          2HG       ARG  37  11.625  -5.178  -5.299
  281   1HD   ARG  37          1HD       ARG  37  12.482  -4.686  -3.206
  282   2HD   ARG  37          2HD       ARG  37  11.669  -3.136  -3.116
  283    HE   ARG  37           HE       ARG  37   9.539  -4.791  -2.905
  284   1HH1  ARG  37          2HH2      ARG  37  12.686  -4.955  -1.341
  285   2HH1  ARG  37          1HH2      ARG  37  12.084  -5.752   0.074
  286   1HH2  ARG  37          2HH1      ARG  37   8.743  -5.842  -1.039
  287   2HH2  ARG  37          1HH1      ARG  37   9.826  -6.260   0.247
  288    H    SER  38           H        SER  38   8.685  -4.412  -6.374
  289    HA   SER  38           HA       SER  38   9.766  -6.558  -7.793
  290   1HB   SER  38          1HB       SER  38   6.935  -5.970  -6.830
  291   2HB   SER  38          2HB       SER  38   7.401  -7.499  -7.548
  292    HG   SER  38           HG       SER  38   8.795  -6.385  -5.276
  293    H    LEU  39           H        LEU  39   7.420  -3.948  -8.587
  294    HA   LEU  39           HA       LEU  39   6.846  -5.084 -11.163
  295   1HB   LEU  39          1HB       LEU  39   5.737  -3.102  -9.412
  296   2HB   LEU  39          2HB       LEU  39   6.001  -2.388 -10.991
  297    HG   LEU  39           HG       LEU  39   4.766  -4.445 -11.936
  298   1HD1  LEU  39          3HD1      LEU  39   3.948  -4.655  -9.026
  299   2HD1  LEU  39          1HD1      LEU  39   3.140  -5.478 -10.383
  300   3HD1  LEU  39          2HD1      LEU  39   4.831  -5.867  -9.985
  301   1HD2  LEU  39          3HD2      LEU  39   3.859  -2.164 -11.910
  302   2HD2  LEU  39          1HD2      LEU  39   2.596  -3.386 -11.628
  303   3HD2  LEU  39          2HD2      LEU  39   3.233  -2.434 -10.266
  304    H    GLY  40           H        GLY  40   9.402  -3.295  -9.757
  305   1HA   GLY  40          1HA       GLY  40  11.345  -2.737 -10.872
  306   2HA   GLY  40          2HA       GLY  40  10.500  -2.765 -12.407
  307    H    GLN  41           H        GLN  41   8.968  -1.093  -9.701
  308    HA   GLN  41           HA       GLN  41   9.622   1.409 -11.043
  309   1HB   GLN  41          1HB       GLN  41   7.211   0.554  -9.398
  310   2HB   GLN  41          2HB       GLN  41   7.523   2.235  -9.779
  311   1HG   GLN  41          1HG       GLN  41   7.072   1.961 -12.047
  312   2HG   GLN  41          2HG       GLN  41   7.635   0.301 -12.074
  313   1HE2  GLN  41          2HE2      GLN  41   3.949   0.908 -10.274
  314   2HE2  GLN  41          1HE2      GLN  41   5.329   1.883  -9.891
  315    H    ASN  42           H        ASN  42   9.282   3.361  -9.287
  316    HA   ASN  42           HA       ASN  42   9.905   2.887  -6.662
  317   1HB   ASN  42          1HB       ASN  42  12.115   2.118  -7.888
  318   2HB   ASN  42          2HB       ASN  42  12.395   3.829  -8.146
  319   1HD2  ASN  42          2HD2      ASN  42  14.137   3.825  -5.127
  320   2HD2  ASN  42          1HD2      ASN  42  14.175   3.944  -6.855
  321    HA   PRO  43           HA       PRO  43   8.943   7.129  -8.106
  322   1HB   PRO  43          1HB       PRO  43   6.551   7.438  -6.819
  323   2HB   PRO  43          2HB       PRO  43   6.683   6.895  -8.480
  324   1HG   PRO  43          1HG       PRO  43   6.060   5.318  -6.058
  325   2HG   PRO  43          2HG       PRO  43   5.784   4.904  -7.739
  326   1HD   PRO  43          1HD       PRO  43   7.870   3.902  -6.044
  327   2HD   PRO  43          2HD       PRO  43   7.662   3.578  -7.754
  328    H    THR  44           H        THR  44   8.634   9.218  -6.916
  329    HA   THR  44           HA       THR  44  10.312   9.052  -4.593
  330    HB   THR  44           HB       THR  44  10.416  11.425  -4.853
  331    HG1  THR  44           HG1      THR  44   7.843  10.941  -6.177
  332   1HG2  THR  44          1HG2      THR  44  10.880   9.980  -7.100
  333   2HG2  THR  44          2HG2      THR  44   9.463  10.899  -7.664
  334   3HG2  THR  44          3HG2      THR  44  10.920  11.760  -7.111
  335    H    GLU  45           H        GLU  45   9.612  10.544  -2.639
  336    HA   GLU  45           HA       GLU  45   7.433   9.170  -1.510
  337   1HB   GLU  45          1HB       GLU  45   9.646  10.630  -0.574
  338   2HB   GLU  45          2HB       GLU  45   8.270  11.586  -0.062
  339   1HG   GLU  45          1HG       GLU  45   7.250   9.353   0.804
  340   2HG   GLU  45          2HG       GLU  45   8.847   8.666   0.578
  341    H    ALA  46           H        ALA  46   7.623  11.834  -3.620
  342    HA   ALA  46           HA       ALA  46   5.435  13.325  -2.509
  343   1HB   ALA  46          3HB       ALA  46   7.529  13.941  -4.132
  344   2HB   ALA  46          1HB       ALA  46   6.255  13.691  -5.348
  345   3HB   ALA  46          2HB       ALA  46   6.028  14.895  -4.057
  346    H    GLU  47           H        GLU  47   5.977  11.248  -5.444
  347    HA   GLU  47           HA       GLU  47   3.393  11.350  -6.341
  348   1HB   GLU  47          1HB       GLU  47   5.395  10.429  -7.568
  349   2HB   GLU  47          2HB       GLU  47   5.318   8.994  -6.566
  350   1HG   GLU  47          1HG       GLU  47   3.722   8.099  -7.902
  351   2HG   GLU  47          2HG       GLU  47   2.673   9.474  -7.619
  352    H    LEU  48           H        LEU  48   4.955   8.768  -4.303
  353    HA   LEU  48           HA       LEU  48   2.810   7.161  -3.918
  354   1HB   LEU  48          1HB       LEU  48   4.950   7.938  -1.932
  355   2HB   LEU  48          2HB       LEU  48   3.864   6.574  -1.748
  356    HG   LEU  48           HG       LEU  48   5.478   6.721  -4.258
  357   1HD1  LEU  48          2HD1      LEU  48   7.093   7.343  -2.505
  358   2HD1  LEU  48          3HD1      LEU  48   6.673   5.864  -1.607
  359   3HD1  LEU  48          1HD1      LEU  48   7.438   5.745  -3.210
  360   1HD2  LEU  48          3HD2      LEU  48   3.750   4.879  -3.159
  361   2HD2  LEU  48          1HD2      LEU  48   4.935   4.564  -4.450
  362   3HD2  LEU  48          2HD2      LEU  48   5.350   4.212  -2.755
  363    H    GLN  49           H        GLN  49   3.722   9.971  -1.797
  364    HA   GLN  49           HA       GLN  49   1.737   9.916  -0.052
  365   1HB   GLN  49          1HB       GLN  49   3.637  11.710  -0.597
  366   2HB   GLN  49          2HB       GLN  49   2.315  12.577  -1.353
  367   1HG   GLN  49          1HG       GLN  49   2.210  13.398   0.842
  368   2HG   GLN  49          2HG       GLN  49   1.025  12.109   0.899
  369   1HE2  GLN  49          2HE2      GLN  49   2.551  10.735   3.678
  370   2HE2  GLN  49          1HE2      GLN  49   1.133  11.317   2.870
  371    H    ASP  50           H        ASP  50   1.498  11.209  -3.422
  372    HA   ASP  50           HA       ASP  50  -1.111  12.104  -3.171
  373   1HB   ASP  50          1HB       ASP  50   0.886  11.927  -5.192
  374   2HB   ASP  50          2HB       ASP  50  -0.506  11.089  -5.849
  375    H    MET  51           H        MET  51   0.377   8.979  -4.228
  376    HA   MET  51           HA       MET  51  -1.980   7.791  -5.087
  377   1HB   MET  51          1HB       MET  51   0.552   6.527  -3.894
  378   2HB   MET  51          2HB       MET  51  -0.635   5.667  -4.855
  379   1HG   MET  51          1HG       MET  51  -0.096   6.920  -6.843
  380   2HG   MET  51          2HG       MET  51   0.775   8.141  -5.937
  381   1HE   MET  51          3HE       MET  51   1.007   5.119  -8.051
  382   2HE   MET  51          1HE       MET  51   1.898   6.591  -8.509
  383   3HE   MET  51          2HE       MET  51   2.782   5.081  -8.182
  384    H    ILE  52           H        ILE  52  -0.365   7.947  -1.876
  385    HA   ILE  52           HA       ILE  52  -2.130   6.079  -0.670
  386    HB   ILE  52           HB       ILE  52  -0.154   8.090   0.390
  387   1HG1  ILE  52          1HG1      ILE  52  -0.134   5.135  -0.154
  388   2HG1  ILE  52          2HG1      ILE  52   1.037   6.358  -0.608
  389   1HG2  ILE  52          1HG2      ILE  52  -2.325   6.841   1.807
  390   2HG2  ILE  52          2HG2      ILE  52  -0.769   6.220   2.408
  391   3HG2  ILE  52          3HG2      ILE  52  -1.085   7.972   2.399
  392   1HD1  ILE  52          3HD1      ILE  52   1.199   6.612   2.094
  393   2HD1  ILE  52          1HD1      ILE  52   0.715   4.903   1.988
  394   3HD1  ILE  52          2HD1      ILE  52   2.195   5.461   1.172
  395    H    ASN  53           H        ASN  53  -2.219   9.521  -1.430
  396    HA   ASN  53           HA       ASN  53  -4.357   9.967   0.426
  397   1HB   ASN  53          1HB       ASN  53  -2.931  11.696  -1.647
  398   2HB   ASN  53          2HB       ASN  53  -4.353  12.280  -0.805
  399   1HD2  ASN  53          2HD2      ASN  53  -1.330  13.433   1.012
  400   2HD2  ASN  53          1HD2      ASN  53  -1.995  13.594  -0.579
  401    H    GLU  54           H        GLU  54  -4.192   8.253  -2.336
  402    HA   GLU  54           HA       GLU  54  -6.443   9.499  -3.658
  403   1HB   GLU  54          1HB       GLU  54  -4.504   7.295  -4.436
  404   2HB   GLU  54          2HB       GLU  54  -5.973   7.573  -5.352
  405   1HG   GLU  54          1HG       GLU  54  -4.735  10.138  -4.925
  406   2HG   GLU  54          2HG       GLU  54  -3.480   9.038  -5.460
  407    H    VAL  55           H        VAL  55  -5.674   7.006  -1.379
  408    HA   VAL  55           HA       VAL  55  -8.336   5.831  -1.801
  409    HB   VAL  55           HB       VAL  55  -7.036   3.916  -0.438
  410   1HG1  VAL  55          3HG1      VAL  55  -8.317   3.819  -2.634
  411   2HG1  VAL  55          1HG1      VAL  55  -6.766   4.142  -3.446
  412   3HG1  VAL  55          2HG1      VAL  55  -6.965   2.673  -2.461
  413   1HG2  VAL  55          3HG2      VAL  55  -4.921   5.391  -0.619
  414   2HG2  VAL  55          1HG2      VAL  55  -4.779   3.663  -1.019
  415   3HG2  VAL  55          2HG2      VAL  55  -4.878   4.872  -2.321
  416    H    ASP  56           H        ASP  56  -5.805   6.930   0.505
  417    HA   ASP  56           HA       ASP  56  -7.363   6.402   2.770
  418   1HB   ASP  56          1HB       ASP  56  -4.944   6.646   2.949
  419   2HB   ASP  56          2HB       ASP  56  -4.996   8.251   2.248
  420    H    ALA  57           H        ALA  57  -9.423   7.420   2.749
  421    HA   ALA  57           HA       ALA  57  -9.602  10.190   1.925
  422   1HB   ALA  57          2HB       ALA  57 -11.659   8.143   2.850
  423   2HB   ALA  57          3HB       ALA  57 -12.044   9.789   2.293
  424   3HB   ALA  57          1HB       ALA  57 -11.309   8.620   1.171
  425    H    ASP  58           H        ASP  58  -8.760   8.477   4.725
  426    HA   ASP  58           HA       ASP  58 -10.133  10.162   6.559
  427   1HB   ASP  58          1HB       ASP  58  -9.455   8.620   8.097
  428   2HB   ASP  58          2HB       ASP  58  -8.960   7.670   6.710
  429    H    GLY  59           H        GLY  59  -6.981   9.951   4.902
  430   1HA   GLY  59          1HA       GLY  59  -5.358  11.505   4.653
  431   2HA   GLY  59          2HA       GLY  59  -6.307  12.641   5.592
  432    H    ASN  60           H        ASN  60  -5.406   9.366   6.743
  433    HA   ASN  60           HA       ASN  60  -4.332  10.481   9.090
  434   1HB   ASN  60          1HB       ASN  60  -3.782   8.093   9.646
  435   2HB   ASN  60          2HB       ASN  60  -5.438   8.269   9.100
  436   1HD2  ASN  60          2HD2      ASN  60  -4.364   5.343   7.301
  437   2HD2  ASN  60          1HD2      ASN  60  -4.895   5.877   8.861
  438    H    GLY  61           H        GLY  61  -3.129   9.663   5.907
  439   1HA   GLY  61          1HA       GLY  61  -1.018  10.468   5.204
  440   2HA   GLY  61          2HA       GLY  61  -0.370  10.175   6.806
  441    H    THR  62           H        THR  62  -1.880   7.499   6.952
  442    HA   THR  62           HA       THR  62  -0.033   6.010   5.204
  443    HB   THR  62           HB       THR  62   0.081   6.042   7.888
  444    HG1  THR  62           HG1      THR  62   1.428   4.525   6.981
  445   1HG2  THR  62          2HG2      THR  62  -2.368   5.259   8.069
  446   2HG2  THR  62          3HG2      THR  62  -1.844   3.737   7.308
  447   3HG2  THR  62          1HG2      THR  62  -1.179   4.218   8.887
  448    H    ILE  63           H        ILE  63  -0.979   3.548   5.120
  449    HA   ILE  63           HA       ILE  63  -3.772   3.865   4.265
  450    HB   ILE  63           HB       ILE  63  -1.526   2.402   2.875
  451   1HG1  ILE  63          1HG1      ILE  63  -2.310   5.065   2.701
  452   2HG1  ILE  63          2HG1      ILE  63  -1.318   4.182   1.558
  453   1HG2  ILE  63          3HG2      ILE  63  -4.511   2.341   2.414
  454   2HG2  ILE  63          1HG2      ILE  63  -3.330   1.928   1.147
  455   3HG2  ILE  63          2HG2      ILE  63  -3.391   0.978   2.651
  456   1HD1  ILE  63          3HD1      ILE  63  -4.350   4.043   1.411
  457   2HD1  ILE  63          1HD1      ILE  63  -3.445   5.374   0.649
  458   3HD1  ILE  63          2HD1      ILE  63  -3.161   3.694   0.133
  459    H    ASP  64           H        ASP  64  -5.190   2.216   4.831
  460    HA   ASP  64           HA       ASP  64  -4.032   0.311   6.687
  461   1HB   ASP  64          1HB       ASP  64  -6.947   1.092   6.210
  462   2HB   ASP  64          2HB       ASP  64  -6.388   0.005   7.466
  463    H    PHE  65           H        PHE  65  -6.078  -1.664   6.647
  464    HA   PHE  65           HA       PHE  65  -5.443  -3.014   4.216
  465   1HB   PHE  65          1HB       PHE  65  -5.628  -4.221   6.353
  466   2HB   PHE  65          2HB       PHE  65  -7.193  -3.507   6.688
  467    HD1  PHE  65           HD2      PHE  65  -5.759  -5.365   3.774
  468    HD2  PHE  65           HD1      PHE  65  -8.863  -5.083   6.653
  469    HE1  PHE  65           HE2      PHE  65  -6.888  -7.360   2.752
  470    HE2  PHE  65           HE1      PHE  65  -9.992  -7.078   5.631
  471    HZ   PHE  65           HZ       PHE  65  -8.991  -8.193   3.693
  472    HA   PRO  66           HA       PRO  66 -10.078  -2.228   3.554
  473   1HB   PRO  66          1HB       PRO  66 -11.329  -0.293   5.023
  474   2HB   PRO  66          2HB       PRO  66 -11.386  -1.995   5.435
  475   1HG   PRO  66          1HG       PRO  66  -9.829   0.169   6.712
  476   2HG   PRO  66          2HG       PRO  66 -10.232  -1.415   7.345
  477   1HD   PRO  66          1HD       PRO  66  -7.700  -0.585   6.284
  478   2HD   PRO  66          2HD       PRO  66  -8.138  -2.198   6.810
  479    H    GLU  67           H        GLU  67  -7.944   0.385   4.227
  480    HA   GLU  67           HA       GLU  67  -9.231   2.082   2.338
  481   1HB   GLU  67          1HB       GLU  67  -6.442   2.433   3.499
  482   2HB   GLU  67          2HB       GLU  67  -7.508   3.679   2.881
  483   1HG   GLU  67          1HG       GLU  67  -8.690   2.042   5.069
  484   2HG   GLU  67          2HG       GLU  67  -7.283   2.971   5.549
  485    H    PHE  68           H        PHE  68  -6.838  -0.467   2.297
  486    HA   PHE  68           HA       PHE  68  -5.746   0.429  -0.239
  487   1HB   PHE  68          1HB       PHE  68  -4.044  -0.525   1.092
  488   2HB   PHE  68          2HB       PHE  68  -5.171  -1.549   1.960
  489    HD1  PHE  68           HD1      PHE  68  -6.065  -3.621   0.769
  490    HD2  PHE  68           HD2      PHE  68  -2.748  -1.394  -0.661
  491    HE1  PHE  68           HE1      PHE  68  -5.335  -5.590  -0.605
  492    HE2  PHE  68           HE2      PHE  68  -2.018  -3.363  -2.035
  493    HZ   PHE  68           HZ       PHE  68  -3.320  -5.438  -1.991
  494    H    LEU  69           H        LEU  69  -8.025  -1.924   1.139
  495    HA   LEU  69           HA       LEU  69  -8.107  -3.781  -0.887
  496   1HB   LEU  69          1HB       LEU  69 -10.160  -2.739   1.045
  497   2HB   LEU  69          2HB       LEU  69 -10.572  -3.966  -0.136
  498    HG   LEU  69           HG       LEU  69  -8.169  -4.445   1.574
  499   1HD1  LEU  69          2HD1      LEU  69 -10.807  -3.916   2.664
  500   2HD1  LEU  69          3HD1      LEU  69 -10.268  -5.574   3.023
  501   3HD1  LEU  69          1HD1      LEU  69  -9.257  -4.188   3.495
  502   1HD2  LEU  69          1HD2      LEU  69  -9.038  -5.956  -0.302
  503   2HD2  LEU  69          2HD2      LEU  69  -8.673  -6.712   1.267
  504   3HD2  LEU  69          3HD2      LEU  69 -10.361  -6.373   0.813
  505    H    THR  70           H        THR  70  -9.507  -0.493  -0.698
  506    HA   THR  70           HA       THR  70 -11.173  -0.714  -2.948
  507    HB   THR  70           HB       THR  70 -11.549   1.103  -1.441
  508    HG1  THR  70           HG1      THR  70 -11.716   2.237  -3.343
  509   1HG2  THR  70          3HG2      THR  70  -8.544   1.516  -1.684
  510   2HG2  THR  70          1HG2      THR  70  -9.602   2.876  -1.239
  511   3HG2  THR  70          2HG2      THR  70  -9.535   1.426  -0.208
  512    H    MET  71           H        MET  71  -7.687   0.005  -2.586
  513    HA   MET  71           HA       MET  71  -7.277   0.967  -5.129
  514   1HB   MET  71          1HB       MET  71  -5.739   0.141  -2.842
  515   2HB   MET  71          2HB       MET  71  -5.053  -0.705  -4.214
  516   1HG   MET  71          1HG       MET  71  -5.556   1.997  -5.064
  517   2HG   MET  71          2HG       MET  71  -4.773   2.090  -3.499
  518   1HE   MET  71          1HE       MET  71  -5.000   0.551  -6.785
  519   2HE   MET  71          2HE       MET  71  -3.629   1.473  -7.449
  520   3HE   MET  71          3HE       MET  71  -3.452  -0.266  -7.109
  521    H    MET  72           H        MET  72  -7.515  -2.390  -3.891
  522    HA   MET  72           HA       MET  72  -6.558  -3.567  -6.256
  523   1HB   MET  72          1HB       MET  72  -8.371  -4.681  -4.043
  524   2HB   MET  72          2HB       MET  72  -7.508  -5.660  -5.212
  525   1HG   MET  72          1HG       MET  72  -5.610  -3.854  -3.981
  526   2HG   MET  72          2HG       MET  72  -6.537  -4.620  -2.707
  527   1HE   MET  72          1HE       MET  72  -4.317  -4.662  -5.481
  528   2HE   MET  72          2HE       MET  72  -3.090  -5.544  -4.540
  529   3HE   MET  72          3HE       MET  72  -3.910  -6.342  -5.904
  530    H    ALA  73           H        ALA  73  -9.860  -2.913  -4.925
  531    HA   ALA  73           HA       ALA  73 -11.366  -4.210  -6.801
  532   1HB   ALA  73          2HB       ALA  73 -12.198  -3.093  -4.743
  533   2HB   ALA  73          3HB       ALA  73 -11.913  -1.509  -5.504
  534   3HB   ALA  73          1HB       ALA  73 -13.128  -2.617  -6.184
  535    H    ARG  74           H        ARG  74  -9.783  -0.975  -6.989
  536    HA   ARG  74           HA       ARG  74 -10.890   0.048  -9.165
  537   1HB   ARG  74          1HB       ARG  74  -7.963  -0.045  -8.326
  538   2HB   ARG  74          2HB       ARG  74  -8.463   0.881  -9.727
  539   1HG   ARG  74          1HG       ARG  74 -10.251   1.449  -7.496
  540   2HG   ARG  74          2HG       ARG  74  -8.589   1.669  -6.986
  541   1HD   ARG  74          1HD       ARG  74  -9.497   2.831  -9.636
  542   2HD   ARG  74          2HD       ARG  74  -9.892   3.669  -8.149
  543    HE   ARG  74           HE       ARG  74  -7.063   2.893  -8.377
  544   1HH1  ARG  74          2HH2      ARG  74  -9.459   5.394  -8.996
  545   2HH1  ARG  74          1HH2      ARG  74  -8.292   6.672  -9.074
  546   1HH2  ARG  74          2HH1      ARG  74  -5.523   4.578  -8.480
  547   2HH2  ARG  74          1HH1      ARG  74  -6.038   6.204  -8.779
  548    H    LYS  75           H        LYS  75  -7.615  -1.262  -9.806
  549    HA   LYS  75           HA       LYS  75  -8.306  -2.033 -12.415
  550   1HB   LYS  75          1HB       LYS  75  -6.096  -1.920 -12.592
  551   2HB   LYS  75          2HB       LYS  75  -5.956  -1.713 -10.857
  552   1HG   LYS  75          1HG       LYS  75  -5.840  -4.127 -10.501
  553   2HG   LYS  75          2HG       LYS  75  -6.245  -4.450 -12.175
  554   1HD   LYS  75          1HD       LYS  75  -3.838  -4.723 -11.913
  555   2HD   LYS  75          2HD       LYS  75  -4.121  -3.293 -12.887
  556   1HE   LYS  75          1HE       LYS  75  -4.095  -2.586 -10.049
  557   2HE   LYS  75          2HE       LYS  75  -2.634  -3.459 -10.466
  558   1HZ   LYS  75          1HZ       LYS  75  -3.574  -1.310 -12.198
  559   2HZ   LYS  75          2HZ       LYS  75  -2.738  -0.953 -10.841
  560   3HZ   LYS  75          3HZ       LYS  75  -2.055  -1.879 -12.000
   
  No H/Q in entry =         560
  Start of MODEL    2
    1    H    MET   0           H        MET   0 -30.436 -20.089  -7.199
    2    HA   MET   0           HA       MET   0 -31.596 -20.621  -4.804
    3   1HB   MET   0          1HB       MET   0 -30.203 -22.747  -4.901
    4   2HB   MET   0          2HB       MET   0 -30.980 -22.370  -6.426
    5   1HG   MET   0          1HG       MET   0 -28.700 -21.061  -6.917
    6   2HG   MET   0          2HG       MET   0 -28.059 -22.119  -5.676
    7   1HE   MET   0          2HE       MET   0 -26.478 -22.989  -6.999
    8   2HE   MET   0          3HE       MET   0 -26.673 -24.421  -8.038
    9   3HE   MET   0          1HE       MET   0 -26.742 -22.791  -8.748
   10    H    ALA   1           H        ALA   1 -28.176 -19.726  -5.507
   11    HA   ALA   1           HA       ALA   1 -27.754 -18.508  -3.072
   12   1HB   ALA   1          3HB       ALA   1 -27.669 -21.392  -2.899
   13   2HB   ALA   1          1HB       ALA   1 -26.046 -20.729  -2.597
   14   3HB   ALA   1          2HB       ALA   1 -27.426 -20.185  -1.614
   15    H    ASP   2           H        ASP   2 -25.878 -17.304  -3.235
   16    HA   ASP   2           HA       ASP   2 -23.574 -18.102  -4.422
   17   1HB   ASP   2          1HB       ASP   2 -24.617 -18.251  -6.583
   18   2HB   ASP   2          2HB       ASP   2 -25.516 -16.766  -6.341
   19    H    GLN   3           H        GLN   3 -22.463 -16.738  -2.986
   20    HA   GLN   3           HA       GLN   3 -22.322 -14.031  -3.507
   21   1HB   GLN   3          1HB       GLN   3 -24.643 -14.197  -2.362
   22   2HB   GLN   3          2HB       GLN   3 -23.769 -14.545  -0.884
   23   1HG   GLN   3          1HG       GLN   3 -22.382 -12.338  -1.744
   24   2HG   GLN   3          2HG       GLN   3 -23.960 -11.985  -2.420
   25   1HE2  GLN   3          2HE2      GLN   3 -25.499 -11.116   0.561
   26   2HE2  GLN   3          1HE2      GLN   3 -25.565 -11.298  -1.160
   27    H    LEU   4           H        LEU   4 -20.313 -13.404  -2.797
   28    HA   LEU   4           HA       LEU   4 -18.896 -15.252  -1.099
   29   1HB   LEU   4          1HB       LEU   4 -16.999 -13.642  -1.580
   30   2HB   LEU   4          2HB       LEU   4 -17.650 -14.564  -2.920
   31    HG   LEU   4           HG       LEU   4 -18.910 -11.923  -2.571
   32   1HD1  LEU   4          1HD1      LEU   4 -16.305 -11.789  -1.986
   33   2HD1  LEU   4          2HD1      LEU   4 -16.189 -11.746  -3.762
   34   3HD1  LEU   4          3HD1      LEU   4 -17.156 -10.523  -2.903
   35   1HD2  LEU   4          1HD2      LEU   4 -19.309 -13.433  -4.489
   36   2HD2  LEU   4          2HD2      LEU   4 -18.690 -11.837  -4.976
   37   3HD2  LEU   4          3HD2      LEU   4 -17.604 -13.248  -4.963
   38    H    THR   5           H        THR   5 -17.260 -13.931   0.510
   39    HA   THR   5           HA       THR   5 -18.623 -11.800   1.892
   40    HB   THR   5           HB       THR   5 -19.345 -13.003   3.751
   41    HG1  THR   5           HG1      THR   5 -17.990 -14.660   4.560
   42   1HG2  THR   5          2HG2      THR   5 -19.085 -15.258   1.692
   43   2HG2  THR   5          3HG2      THR   5 -20.052 -15.344   3.184
   44   3HG2  THR   5          1HG2      THR   5 -20.501 -14.200   1.896
   45    H    GLU   6           H        GLU   6 -17.203 -11.992   4.331
   46    HA   GLU   6           HA       GLU   6 -14.948 -10.672   3.731
   47   1HB   GLU   6          1HB       GLU   6 -15.582 -12.455   6.114
   48   2HB   GLU   6          2HB       GLU   6 -14.140 -11.460   6.051
   49   1HG   GLU   6          1HG       GLU   6 -15.676  -9.453   5.580
   50   2HG   GLU   6          2HG       GLU   6 -17.035 -10.502   5.932
   51    H    GLU   7           H        GLU   7 -15.493 -14.177   3.673
   52    HA   GLU   7           HA       GLU   7 -13.075 -15.233   3.945
   53   1HB   GLU   7          1HB       GLU   7 -15.049 -15.898   1.715
   54   2HB   GLU   7          2HB       GLU   7 -13.765 -16.955   2.267
   55   1HG   GLU   7          1HG       GLU   7 -15.166 -16.167   4.620
   56   2HG   GLU   7          2HG       GLU   7 -16.406 -16.510   3.431
   57    H    GLN   8           H        GLN   8 -14.271 -13.406   1.081
   58    HA   GLN   8           HA       GLN   8 -12.092 -13.946  -0.542
   59   1HB   GLN   8          1HB       GLN   8 -14.475 -12.352  -0.633
   60   2HB   GLN   8          2HB       GLN   8 -13.143 -11.305  -1.080
   61   1HG   GLN   8          1HG       GLN   8 -13.475 -12.219  -3.163
   62   2HG   GLN   8          2HG       GLN   8 -12.460 -13.503  -2.537
   63   1HE2  GLN   8          2HE2      GLN   8 -15.246 -15.704  -1.749
   64   2HE2  GLN   8          1HE2      GLN   8 -13.807 -15.060  -1.032
   65    H    ILE   9           H        ILE   9 -12.740 -11.330   1.857
   66    HA   ILE   9           HA       ILE   9 -10.535  -9.754   1.295
   67    HB   ILE   9           HB       ILE   9 -12.650  -9.678   3.009
   68   1HG1  ILE   9          1HG1      ILE   9 -11.175  -7.609   3.934
   69   2HG1  ILE   9          2HG1      ILE   9 -10.256  -7.994   2.493
   70   1HG2  ILE   9          1HG2      ILE   9 -11.548 -11.111   4.651
   71   2HG2  ILE   9          2HG2      ILE   9 -10.166  -9.991   4.718
   72   3HG2  ILE   9          3HG2      ILE   9 -11.768  -9.462   5.283
   73   1HD1  ILE   9          2HD1      ILE   9 -13.271  -7.819   2.308
   74   2HD1  ILE   9          3HD1      ILE   9 -12.300  -6.327   2.334
   75   3HD1  ILE   9          1HD1      ILE   9 -12.050  -7.530   1.046
   76    H    ALA  10           H        ALA  10 -10.895 -12.567   3.545
   77    HA   ALA  10           HA       ALA  10  -8.495 -12.566   4.763
   78   1HB   ALA  10          1HB       ALA  10 -10.369 -14.209   5.047
   79   2HB   ALA  10          2HB       ALA  10  -9.846 -15.007   3.544
   80   3HB   ALA  10          3HB       ALA  10  -8.765 -14.975   4.958
   81    H    GLU  11           H        GLU  11  -9.211 -13.452   1.359
   82    HA   GLU  11           HA       GLU  11  -6.628 -14.450   0.878
   83   1HB   GLU  11          1HB       GLU  11  -8.795 -13.459  -1.024
   84   2HB   GLU  11          2HB       GLU  11  -7.334 -14.273  -1.545
   85   1HG   GLU  11          1HG       GLU  11  -7.952 -16.255  -0.123
   86   2HG   GLU  11          2HG       GLU  11  -9.434 -15.443   0.342
   87    H    PHE  12           H        PHE  12  -8.235 -11.257   0.531
   88    HA   PHE  12           HA       PHE  12  -6.139 -10.052  -0.910
   89   1HB   PHE  12          1HB       PHE  12  -8.511  -9.220   0.819
   90   2HB   PHE  12          2HB       PHE  12  -7.386  -7.979   0.301
   91    HD1  PHE  12           HD2      PHE  12  -6.748  -9.001  -2.444
   92    HD2  PHE  12           HD1      PHE  12 -10.442  -8.675  -0.382
   93    HE1  PHE  12           HE2      PHE  12  -7.956  -8.822  -4.637
   94    HE2  PHE  12           HE1      PHE  12 -11.650  -8.497  -2.575
   95    HZ   PHE  12           HZ       PHE  12 -10.393  -8.572  -4.676
   96    H    LYS  13           H        LYS  13  -6.786 -10.592   2.561
   97    HA   LYS  13           HA       LYS  13  -5.302  -8.758   3.809
   98   1HB   LYS  13          1HB       LYS  13  -5.698 -11.695   4.297
   99   2HB   LYS  13          2HB       LYS  13  -4.607 -10.794   5.330
  100   1HG   LYS  13          1HG       LYS  13  -6.790  -9.085   5.218
  101   2HG   LYS  13          2HG       LYS  13  -7.572 -10.651   5.129
  102   1HD   LYS  13          1HD       LYS  13  -5.498 -10.794   7.142
  103   2HD   LYS  13          2HD       LYS  13  -6.450  -9.353   7.441
  104   1HE   LYS  13          1HE       LYS  13  -8.437 -10.561   7.796
  105   2HE   LYS  13          2HE       LYS  13  -7.919 -11.915   6.813
  106   1HZ   LYS  13          2HZ       LYS  13  -6.103 -11.943   8.743
  107   2HZ   LYS  13          3HZ       LYS  13  -7.390 -11.378   9.575
  108   3HZ   LYS  13          1HZ       LYS  13  -7.488 -12.808   8.791
  109    H    GLU  14           H        GLU  14  -3.899 -11.854   2.508
  110    HA   GLU  14           HA       GLU  14  -1.310 -11.287   3.036
  111   1HB   GLU  14          1HB       GLU  14  -2.472 -12.755   0.629
  112   2HB   GLU  14          2HB       GLU  14  -0.786 -12.827   1.100
  113   1HG   GLU  14          1HG       GLU  14  -1.895 -13.465   3.493
  114   2HG   GLU  14          2HG       GLU  14  -3.192 -14.020   2.454
  115    H    ALA  15           H        ALA  15  -3.303 -10.236   0.224
  116    HA   ALA  15           HA       ALA  15  -1.321  -9.175  -1.355
  117   1HB   ALA  15          1HB       ALA  15  -3.891  -9.454  -1.701
  118   2HB   ALA  15          2HB       ALA  15  -4.005  -7.833  -0.976
  119   3HB   ALA  15          3HB       ALA  15  -3.073  -8.074  -2.473
  120    H    PHE  16           H        PHE  16  -3.273  -7.491   1.212
  121    HA   PHE  16           HA       PHE  16  -2.029  -5.058   1.052
  122   1HB   PHE  16          1HB       PHE  16  -4.066  -5.775   2.419
  123   2HB   PHE  16          2HB       PHE  16  -3.000  -6.634   3.513
  124    HD1  PHE  16           HD2      PHE  16  -3.374  -3.201   2.081
  125    HD2  PHE  16           HD1      PHE  16  -2.417  -5.571   5.468
  126    HE1  PHE  16           HE2      PHE  16  -3.114  -1.121   3.462
  127    HE2  PHE  16           HE1      PHE  16  -2.157  -3.491   6.850
  128    HZ   PHE  16           HZ       PHE  16  -2.508  -1.291   5.830
  129    H    SER  17           H        SER  17  -0.954  -8.070   2.666
  130    HA   SER  17           HA       SER  17   0.983  -6.968   4.270
  131   1HB   SER  17          1HB       SER  17   0.053  -9.452   3.945
  132   2HB   SER  17          2HB       SER  17   1.455  -9.620   2.907
  133    HG   SER  17           HG       SER  17   1.352  -9.074   5.726
  134    H    LEU  18           H        LEU  18   1.227  -8.292   0.892
  135    HA   LEU  18           HA       LEU  18   3.819  -8.093   0.357
  136   1HB   LEU  18          1HB       LEU  18   1.366  -7.928  -1.133
  137   2HB   LEU  18          2HB       LEU  18   2.554  -6.850  -1.839
  138    HG   LEU  18           HG       LEU  18   4.049  -9.117  -1.471
  139   1HD1  LEU  18          2HD1      LEU  18   1.859 -10.244  -0.755
  140   2HD1  LEU  18          3HD1      LEU  18   1.403 -10.158  -2.474
  141   3HD1  LEU  18          1HD1      LEU  18   2.855 -11.063  -1.982
  142   1HD2  LEU  18          2HD2      LEU  18   2.479  -8.084  -3.826
  143   2HD2  LEU  18          3HD2      LEU  18   4.220  -7.942  -3.482
  144   3HD2  LEU  18          1HD2      LEU  18   3.532  -9.513  -3.958
  145    H    PHE  19           H        PHE  19   1.551  -5.260   0.140
  146    HA   PHE  19           HA       PHE  19   3.670  -3.437  -0.263
  147   1HB   PHE  19          1HB       PHE  19   0.724  -3.324   0.578
  148   2HB   PHE  19          2HB       PHE  19   1.665  -1.850   0.453
  149    HD1  PHE  19           HD1      PHE  19   2.862  -1.449  -1.831
  150    HD2  PHE  19           HD2      PHE  19  -0.378  -4.137  -1.296
  151    HE1  PHE  19           HE1      PHE  19   2.366  -1.341  -4.289
  152    HE2  PHE  19           HE2      PHE  19  -0.874  -4.029  -3.754
  153    HZ   PHE  19           HZ       PHE  19   0.504  -2.632  -5.221
  154    H    ASP  20           H        ASP  20   1.704  -4.431   2.604
  155    HA   ASP  20           HA       ASP  20   3.098  -2.578   4.257
  156   1HB   ASP  20          1HB       ASP  20   0.798  -3.062   4.818
  157   2HB   ASP  20          2HB       ASP  20   1.071  -4.792   4.760
  158    H    LYS  21           H        LYS  21   5.343  -3.299   4.097
  159    HA   LYS  21           HA       LYS  21   6.114  -5.971   4.401
  160   1HB   LYS  21          1HB       LYS  21   7.447  -4.105   3.372
  161   2HB   LYS  21          2HB       LYS  21   7.746  -3.485   4.983
  162   1HG   LYS  21          1HG       LYS  21   9.603  -4.839   4.854
  163   2HG   LYS  21          2HG       LYS  21   8.480  -6.067   5.403
  164   1HD   LYS  21          1HD       LYS  21   8.295  -7.057   3.288
  165   2HD   LYS  21          2HD       LYS  21   8.643  -5.565   2.436
  166   1HE   LYS  21          1HE       LYS  21  11.040  -5.800   3.561
  167   2HE   LYS  21          2HE       LYS  21  10.582  -7.479   3.765
  168   1HZ   LYS  21          1HZ       LYS  21   9.900  -6.878   1.206
  169   2HZ   LYS  21          2HZ       LYS  21  11.335  -6.125   1.411
  170   3HZ   LYS  21          3HZ       LYS  21  11.210  -7.730   1.681
  171    H    ASP  22           H        ASP  22   6.344  -3.218   6.770
  172    HA   ASP  22           HA       ASP  22   7.181  -4.608   8.894
  173   1HB   ASP  22          1HB       ASP  22   4.928  -2.590   9.179
  174   2HB   ASP  22          2HB       ASP  22   6.283  -2.851  10.259
  175    H    GLY  23           H        GLY  23   4.059  -4.750   7.265
  176   1HA   GLY  23          1HA       GLY  23   2.210  -5.983   7.588
  177   2HA   GLY  23          2HA       GLY  23   3.199  -7.069   8.543
  178    H    ASP  24           H        ASP  24   3.159  -3.742   9.625
  179    HA   ASP  24           HA       ASP  24   2.182  -4.429  12.104
  180   1HB   ASP  24          1HB       ASP  24   1.843  -1.877  12.324
  181   2HB   ASP  24          2HB       ASP  24   3.463  -2.432  11.952
  182    H    GLY  25           H        GLY  25   0.625  -3.428   9.066
  183   1HA   GLY  25          1HA       GLY  25  -1.719  -4.234   8.927
  184   2HA   GLY  25          2HA       GLY  25  -2.002  -3.374  10.428
  185    H    THR  26           H        THR  26   0.324  -1.634   8.675
  186    HA   THR  26           HA       THR  26  -1.691  -0.114   7.182
  187    HB   THR  26           HB       THR  26  -0.435   1.967   8.158
  188    HG1  THR  26           HG1      THR  26   1.222   1.177   9.411
  189   1HG2  THR  26          1HG2      THR  26  -2.226   0.136   9.816
  190   2HG2  THR  26          2HG2      THR  26  -1.629   1.682  10.465
  191   3HG2  THR  26          3HG2      THR  26  -2.660   1.664   9.014
  192    H    ILE  27           H        ILE  27  -0.859   1.127   5.416
  193    HA   ILE  27           HA       ILE  27   1.834   0.242   4.641
  194    HB   ILE  27           HB       ILE  27  -0.640   0.605   2.952
  195   1HG1  ILE  27          1HG1      ILE  27   1.073  -1.848   3.449
  196   2HG1  ILE  27          2HG1      ILE  27  -0.446  -1.514   4.257
  197   1HG2  ILE  27          1HG2      ILE  27   1.685   1.421   2.032
  198   2HG2  ILE  27          2HG2      ILE  27   1.972  -0.323   1.820
  199   3HG2  ILE  27          3HG2      ILE  27   0.585   0.455   1.019
  200   1HD1  ILE  27          1HD1      ILE  27  -0.135  -1.699   1.226
  201   2HD1  ILE  27          2HD1      ILE  27  -0.696  -3.030   2.265
  202   3HD1  ILE  27          3HD1      ILE  27  -1.661  -1.541   2.128
  203    H    THR  28           H        THR  28   3.072   1.995   5.214
  204    HA   THR  28           HA       THR  28   2.099   4.661   4.906
  205    HB   THR  28           HB       THR  28   3.709   3.934   6.681
  206    HG1  THR  28           HG1      THR  28   3.679   6.142   5.666
  207   1HG2  THR  28          1HG2      THR  28   5.022   2.333   5.120
  208   2HG2  THR  28          2HG2      THR  28   5.765   3.794   4.426
  209   3HG2  THR  28          3HG2      THR  28   6.008   3.403   6.145
  210    H    THR  29           H        THR  29   4.703   5.722   3.892
  211    HA   THR  29           HA       THR  29   3.979   5.548   1.083
  212    HB   THR  29           HB       THR  29   5.861   7.413   1.099
  213    HG1  THR  29           HG1      THR  29   6.634   7.694   3.153
  214   1HG2  THR  29          2HG2      THR  29   3.219   7.693   2.620
  215   2HG2  THR  29          3HG2      THR  29   4.269   9.073   2.218
  216   3HG2  THR  29          1HG2      THR  29   3.521   8.115   0.917
  217    H    LYS  30           H        LYS  30   6.971   5.152   3.098
  218    HA   LYS  30           HA       LYS  30   8.586   4.267   1.052
  219   1HB   LYS  30          1HB       LYS  30   9.003   4.857   3.606
  220   2HB   LYS  30          2HB       LYS  30   8.882   3.121   3.803
  221   1HG   LYS  30          1HG       LYS  30  10.697   2.721   2.243
  222   2HG   LYS  30          2HG       LYS  30  10.685   4.386   1.696
  223   1HD   LYS  30          1HD       LYS  30  11.706   5.192   3.663
  224   2HD   LYS  30          2HD       LYS  30  11.155   3.840   4.631
  225   1HE   LYS  30          1HE       LYS  30  13.182   2.869   4.320
  226   2HE   LYS  30          2HE       LYS  30  12.770   2.656   2.630
  227   1HZ   LYS  30          2HZ       LYS  30  13.589   5.304   3.179
  228   2HZ   LYS  30          3HZ       LYS  30  14.742   4.230   3.606
  229   3HZ   LYS  30          1HZ       LYS  30  14.171   4.250   2.076
  230    H    GLU  31           H        GLU  31   6.268   2.458   3.132
  231    HA   GLU  31           HA       GLU  31   7.007  -0.041   2.113
  232   1HB   GLU  31          1HB       GLU  31   4.429   0.883   3.457
  233   2HB   GLU  31          2HB       GLU  31   4.838  -0.795   3.156
  234   1HG   GLU  31          1HG       GLU  31   6.851  -0.607   4.574
  235   2HG   GLU  31          2HG       GLU  31   6.576   1.110   4.794
  236    H    LEU  32           H        LEU  32   5.117   2.598   0.849
  237    HA   LEU  32           HA       LEU  32   3.631   0.886  -0.957
  238   1HB   LEU  32          1HB       LEU  32   2.765   2.982   0.251
  239   2HB   LEU  32          2HB       LEU  32   3.681   3.894  -0.931
  240    HG   LEU  32           HG       LEU  32   2.282   2.224  -2.571
  241   1HD1  LEU  32          1HD1      LEU  32   0.573   2.703  -0.124
  242   2HD1  LEU  32          2HD1      LEU  32  -0.096   2.319  -1.729
  243   3HD1  LEU  32          3HD1      LEU  32   0.972   1.155  -0.908
  244   1HD2  LEU  32          3HD2      LEU  32   2.357   4.977  -1.931
  245   2HD2  LEU  32          1HD2      LEU  32   1.738   4.202  -3.409
  246   3HD2  LEU  32          2HD2      LEU  32   0.641   4.517  -2.042
  247    H    GLY  33           H        GLY  33   6.541   2.902  -0.831
  248   1HA   GLY  33          1HA       GLY  33   6.847   2.806  -3.738
  249   2HA   GLY  33          2HA       GLY  33   7.833   3.690  -2.589
  250    H    THR  34           H        THR  34   7.182   0.532  -1.412
  251    HA   THR  34           HA       THR  34   9.892  -0.285  -2.149
  252    HB   THR  34           HB       THR  34   7.996  -0.691   0.125
  253    HG1  THR  34           HG1      THR  34   9.902   0.109   0.907
  254   1HG2  THR  34          2HG2      THR  34   9.780  -2.901  -0.989
  255   2HG2  THR  34          3HG2      THR  34   9.442  -2.771   0.754
  256   3HG2  THR  34          1HG2      THR  34   8.108  -3.037  -0.393
  257    H    VAL  35           H        VAL  35   6.607  -1.817  -1.895
  258    HA   VAL  35           HA       VAL  35   7.190  -4.109  -3.239
  259    HB   VAL  35           HB       VAL  35   4.774  -2.441  -2.795
  260   1HG1  VAL  35          1HG1      VAL  35   5.008  -4.496  -4.977
  261   2HG1  VAL  35          2HG1      VAL  35   3.485  -4.339  -4.069
  262   3HG1  VAL  35          3HG1      VAL  35   4.135  -2.944  -4.964
  263   1HG2  VAL  35          1HG2      VAL  35   5.578  -5.308  -2.230
  264   2HG2  VAL  35          2HG2      VAL  35   5.377  -3.974  -1.069
  265   3HG2  VAL  35          3HG2      VAL  35   3.956  -4.659  -1.892
  266    H    MET  36           H        MET  36   6.886  -0.815  -4.492
  267    HA   MET  36           HA       MET  36   6.421  -1.503  -7.148
  268   1HB   MET  36          1HB       MET  36   7.874   0.917  -5.939
  269   2HB   MET  36          2HB       MET  36   7.242   0.851  -7.572
  270   1HG   MET  36          1HG       MET  36   5.118   0.076  -5.769
  271   2HG   MET  36          2HG       MET  36   5.842   1.546  -5.148
  272   1HE   MET  36          2HE       MET  36   3.651  -0.149  -7.429
  273   2HE   MET  36          3HE       MET  36   3.181   0.990  -8.714
  274   3HE   MET  36          1HE       MET  36   4.703   0.077  -8.847
  275    H    ARG  37           H        ARG  37   9.453  -0.920  -5.267
  276    HA   ARG  37           HA       ARG  37  11.149  -1.071  -7.439
  277   1HB   ARG  37          1HB       ARG  37  11.411  -1.358  -4.455
  278   2HB   ARG  37          2HB       ARG  37  12.749  -1.956  -5.415
  279   1HG   ARG  37          1HG       ARG  37  13.433   0.148  -5.994
  280   2HG   ARG  37          2HG       ARG  37  11.801   0.685  -6.338
  281   1HD   ARG  37          1HD       ARG  37  13.116   1.743  -4.300
  282   2HD   ARG  37          2HD       ARG  37  11.409   1.385  -4.130
  283    HE   ARG  37           HE       ARG  37  11.925  -0.411  -2.676
  284   1HH1  ARG  37          2HH2      ARG  37  14.857   0.887  -4.127
  285   2HH1  ARG  37          1HH2      ARG  37  15.917   0.034  -3.055
  286   1HH2  ARG  37          2HH1      ARG  37  13.324  -1.537  -1.263
  287   2HH2  ARG  37          1HH1      ARG  37  15.040  -1.354  -1.415
  288    H    SER  38           H        SER  38   9.500  -3.536  -5.497
  289    HA   SER  38           HA       SER  38  11.184  -5.666  -6.079
  290   1HB   SER  38          1HB       SER  38   9.593  -6.973  -5.004
  291   2HB   SER  38          2HB       SER  38   9.157  -5.391  -4.389
  292    HG   SER  38           HG       SER  38   7.368  -6.789  -5.277
  293    H    LEU  39           H        LEU  39   8.954  -3.848  -8.027
  294    HA   LEU  39           HA       LEU  39   8.729  -6.037  -9.954
  295   1HB   LEU  39          1HB       LEU  39   6.846  -4.319  -8.981
  296   2HB   LEU  39          2HB       LEU  39   7.322  -3.499 -10.454
  297    HG   LEU  39           HG       LEU  39   6.969  -6.215 -11.161
  298   1HD1  LEU  39          3HD1      LEU  39   4.854  -5.222  -9.252
  299   2HD1  LEU  39          1HD1      LEU  39   4.506  -6.434 -10.508
  300   3HD1  LEU  39          2HD1      LEU  39   5.724  -6.775  -9.255
  301   1HD2  LEU  39          2HD2      LEU  39   6.586  -4.222 -12.569
  302   2HD2  LEU  39          3HD2      LEU  39   5.212  -5.353 -12.587
  303   3HD2  LEU  39          1HD2      LEU  39   5.122  -3.857 -11.626
  304    H    GLY  40           H        GLY  40   8.945  -2.444 -10.345
  305   1HA   GLY  40          1HA       GLY  40  11.542  -2.359 -11.367
  306   2HA   GLY  40          2HA       GLY  40  10.458  -2.634 -12.716
  307    H    GLN  41           H        GLN  41   9.639  -0.824  -9.713
  308    HA   GLN  41           HA       GLN  41   9.701   1.612 -11.304
  309   1HB   GLN  41          1HB       GLN  41   7.397   0.481  -9.702
  310   2HB   GLN  41          2HB       GLN  41   7.554   2.217  -9.882
  311   1HG   GLN  41          1HG       GLN  41   7.669   1.898 -12.395
  312   2HG   GLN  41          2HG       GLN  41   7.380   0.186 -12.158
  313   1HE2  GLN  41          2HE2      GLN  41   3.994   0.542 -11.019
  314   2HE2  GLN  41          1HE2      GLN  41   5.457  -0.345 -10.745
  315    H    ASN  42           H        ASN  42   9.422   3.621  -9.740
  316    HA   ASN  42           HA       ASN  42  10.185   3.192  -7.064
  317   1HB   ASN  42          1HB       ASN  42  12.361   4.749  -7.605
  318   2HB   ASN  42          2HB       ASN  42  12.449   3.000  -7.528
  319   1HD2  ASN  42          2HD2      ASN  42  14.052   3.288 -10.643
  320   2HD2  ASN  42          1HD2      ASN  42  14.233   3.087  -8.932
  321    HA   PRO  43           HA       PRO  43   8.238   7.163  -8.248
  322   1HB   PRO  43          1HB       PRO  43   6.002   6.968  -6.689
  323   2HB   PRO  43          2HB       PRO  43   6.044   6.474  -8.370
  324   1HG   PRO  43          1HG       PRO  43   6.044   4.787  -5.942
  325   2HG   PRO  43          2HG       PRO  43   5.662   4.337  -7.592
  326   1HD   PRO  43          1HD       PRO  43   8.092   3.771  -6.178
  327   2HD   PRO  43          2HD       PRO  43   7.754   3.423  -7.862
  328    H    THR  44           H        THR  44   8.315   9.179  -7.263
  329    HA   THR  44           HA       THR  44   9.905   9.158  -4.898
  330    HB   THR  44           HB       THR  44   9.973  11.538  -5.284
  331    HG1  THR  44           HG1      THR  44   7.552  10.935  -6.835
  332   1HG2  THR  44          2HG2      THR  44  10.406   9.812  -7.454
  333   2HG2  THR  44          3HG2      THR  44   9.270  11.016  -8.111
  334   3HG2  THR  44          1HG2      THR  44  10.823  11.542  -7.417
  335    H    GLU  45           H        GLU  45   9.330  10.448  -2.919
  336    HA   GLU  45           HA       GLU  45   7.158   9.276  -1.722
  337   1HB   GLU  45          1HB       GLU  45   8.712  11.794  -0.994
  338   2HB   GLU  45          2HB       GLU  45   7.524  11.063   0.067
  339   1HG   GLU  45          1HG       GLU  45   8.977   9.442   0.727
  340   2HG   GLU  45          2HG       GLU  45   9.382   9.033  -0.928
  341    H    ALA  46           H        ALA  46   7.380  12.105  -3.789
  342    HA   ALA  46           HA       ALA  46   5.046  13.413  -2.878
  343   1HB   ALA  46          2HB       ALA  46   7.133  14.059  -4.494
  344   2HB   ALA  46          3HB       ALA  46   5.896  13.691  -5.719
  345   3HB   ALA  46          1HB       ALA  46   5.586  14.940  -4.489
  346    H    GLU  47           H        GLU  47   5.756  11.015  -5.491
  347    HA   GLU  47           HA       GLU  47   3.203  11.022  -6.553
  348   1HB   GLU  47          1HB       GLU  47   5.128  10.062  -7.732
  349   2HB   GLU  47          2HB       GLU  47   5.330   8.838  -6.494
  350   1HG   GLU  47          1HG       GLU  47   4.152   7.725  -8.243
  351   2HG   GLU  47          2HG       GLU  47   2.925   8.070  -7.041
  352    H    LEU  48           H        LEU  48   4.727   8.556  -4.343
  353    HA   LEU  48           HA       LEU  48   2.595   6.994  -3.859
  354   1HB   LEU  48          1HB       LEU  48   4.607   7.946  -1.815
  355   2HB   LEU  48          2HB       LEU  48   3.595   6.522  -1.673
  356    HG   LEU  48           HG       LEU  48   5.391   6.747  -4.058
  357   1HD1  LEU  48          1HD1      LEU  48   6.330   6.130  -1.249
  358   2HD1  LEU  48          2HD1      LEU  48   7.222   5.663  -2.717
  359   3HD1  LEU  48          3HD1      LEU  48   6.933   7.383  -2.360
  360   1HD2  LEU  48          2HD2      LEU  48   3.650   4.875  -3.458
  361   2HD2  LEU  48          3HD2      LEU  48   5.232   4.459  -4.159
  362   3HD2  LEU  48          1HD2      LEU  48   4.960   4.285  -2.408
  363    H    GLN  49           H        GLN  49   3.410   9.969  -1.931
  364    HA   GLN  49           HA       GLN  49   1.338   9.997  -0.266
  365   1HB   GLN  49          1HB       GLN  49   3.273  11.821  -1.076
  366   2HB   GLN  49          2HB       GLN  49   1.789  12.656  -1.491
  367   1HG   GLN  49          1HG       GLN  49   2.112  13.310   0.748
  368   2HG   GLN  49          2HG       GLN  49   0.980  11.983   0.914
  369   1HE2  GLN  49          2HE2      GLN  49   3.043  10.529   3.286
  370   2HE2  GLN  49          1HE2      GLN  49   1.500  11.175   2.834
  371    H    ASP  50           H        ASP  50   1.294  10.991  -3.730
  372    HA   ASP  50           HA       ASP  50  -1.308  11.977  -3.670
  373   1HB   ASP  50          1HB       ASP  50   0.787  11.481  -5.613
  374   2HB   ASP  50          2HB       ASP  50  -0.723  10.873  -6.262
  375    H    MET  51           H        MET  51   0.188   8.760  -4.303
  376    HA   MET  51           HA       MET  51  -2.169   7.557  -5.232
  377   1HB   MET  51          1HB       MET  51   0.290   6.290  -3.901
  378   2HB   MET  51          2HB       MET  51  -0.857   5.450  -4.926
  379   1HG   MET  51          1HG       MET  51  -0.166   6.670  -6.888
  380   2HG   MET  51          2HG       MET  51   0.679   7.877  -5.940
  381   1HE   MET  51          1HE       MET  51   0.550   4.936  -7.800
  382   2HE   MET  51          2HE       MET  51   2.218   4.323  -7.890
  383   3HE   MET  51          3HE       MET  51   1.102   3.686  -6.659
  384    H    ILE  52           H        ILE  52  -0.502   7.639  -2.017
  385    HA   ILE  52           HA       ILE  52  -2.140   5.887  -0.677
  386    HB   ILE  52           HB       ILE  52  -0.589   8.313   0.192
  387   1HG1  ILE  52          1HG1      ILE  52  -0.126   5.338   0.177
  388   2HG1  ILE  52          2HG1      ILE  52   0.879   6.616  -0.478
  389   1HG2  ILE  52          1HG2      ILE  52  -2.692   7.048   1.655
  390   2HG2  ILE  52          2HG2      ILE  52  -1.139   6.647   2.426
  391   3HG2  ILE  52          3HG2      ILE  52  -1.590   8.349   2.168
  392   1HD1  ILE  52          1HD1      ILE  52   0.916   7.410   2.098
  393   2HD1  ILE  52          2HD1      ILE  52   0.601   5.678   2.362
  394   3HD1  ILE  52          3HD1      ILE  52   2.055   6.193   1.474
  395    H    ASN  53           H        ASN  53  -2.511   9.477  -1.061
  396    HA   ASN  53           HA       ASN  53  -4.706   9.865   0.398
  397   1HB   ASN  53          1HB       ASN  53  -3.629  11.053  -2.134
  398   2HB   ASN  53          2HB       ASN  53  -5.312  11.417  -1.809
  399   1HD2  ASN  53          2HD2      ASN  53  -2.744  13.803  -0.207
  400   2HD2  ASN  53          1HD2      ASN  53  -2.768  13.006  -1.745
  401    H    GLU  54           H        GLU  54  -4.604   8.895  -3.118
  402    HA   GLU  54           HA       GLU  54  -7.226   8.738  -3.637
  403   1HB   GLU  54          1HB       GLU  54  -4.916   6.990  -4.545
  404   2HB   GLU  54          2HB       GLU  54  -6.532   6.745  -5.177
  405   1HG   GLU  54          1HG       GLU  54  -6.466   9.361  -5.623
  406   2HG   GLU  54          2HG       GLU  54  -4.730   9.162  -5.484
  407    H    VAL  55           H        VAL  55  -5.230   6.407  -1.782
  408    HA   VAL  55           HA       VAL  55  -7.672   4.852  -1.285
  409    HB   VAL  55           HB       VAL  55  -5.682   3.264  -0.412
  410   1HG1  VAL  55          2HG1      VAL  55  -7.509   3.302  -2.526
  411   2HG1  VAL  55          3HG1      VAL  55  -5.942   2.957  -3.296
  412   3HG1  VAL  55          1HG1      VAL  55  -6.535   1.916  -1.979
  413   1HG2  VAL  55          3HG2      VAL  55  -4.003   5.020  -1.179
  414   2HG2  VAL  55          1HG2      VAL  55  -3.738   3.361  -1.768
  415   3HG2  VAL  55          2HG2      VAL  55  -4.455   4.584  -2.845
  416    H    ASP  56           H        ASP  56  -7.118   7.410  -0.014
  417    HA   ASP  56           HA       ASP  56  -7.264   6.475   2.670
  418   1HB   ASP  56          1HB       ASP  56  -4.894   6.708   2.694
  419   2HB   ASP  56          2HB       ASP  56  -4.929   8.118   1.653
  420    H    ALA  57           H        ALA  57  -9.371   7.469   2.652
  421    HA   ALA  57           HA       ALA  57  -9.551  10.252   1.846
  422   1HB   ALA  57          1HB       ALA  57 -11.234   8.493   1.175
  423   2HB   ALA  57          2HB       ALA  57 -11.705   8.372   2.887
  424   3HB   ALA  57          3HB       ALA  57 -11.937   9.901   2.006
  425    H    ASP  58           H        ASP  58  -8.663   8.495   4.595
  426    HA   ASP  58           HA       ASP  58 -10.019  10.131   6.485
  427   1HB   ASP  58          1HB       ASP  58  -9.321   8.544   7.964
  428   2HB   ASP  58          2HB       ASP  58  -8.790   7.649   6.554
  429    H    GLY  59           H        GLY  59  -6.855   9.936   4.824
  430   1HA   GLY  59          1HA       GLY  59  -5.237  11.497   4.580
  431   2HA   GLY  59          2HA       GLY  59  -6.203  12.635   5.497
  432    H    ASN  60           H        ASN  60  -5.257   9.370   6.659
  433    HA   ASN  60           HA       ASN  60  -4.226  10.518   9.018
  434   1HB   ASN  60          1HB       ASN  60  -3.685   8.144   9.615
  435   2HB   ASN  60          2HB       ASN  60  -5.329   8.298   9.026
  436   1HD2  ASN  60          2HD2      ASN  60  -3.928   5.332   7.389
  437   2HD2  ASN  60          1HD2      ASN  60  -4.362   5.872   8.977
  438    H    GLY  61           H        GLY  61  -2.992   9.626   5.857
  439   1HA   GLY  61          1HA       GLY  61  -0.874  10.454   5.168
  440   2HA   GLY  61          2HA       GLY  61  -0.240  10.160   6.774
  441    H    THR  62           H        THR  62  -1.777   7.488   6.894
  442    HA   THR  62           HA       THR  62   0.081   5.992   5.163
  443    HB   THR  62           HB       THR  62   0.378   5.961   7.745
  444    HG1  THR  62           HG1      THR  62   1.286   4.080   7.020
  445   1HG2  THR  62          3HG2      THR  62  -2.211   4.372   7.394
  446   2HG2  THR  62          1HG2      THR  62  -1.108   4.117   8.767
  447   3HG2  THR  62          2HG2      THR  62  -1.902   5.694   8.545
  448    H    ILE  63           H        ILE  63  -0.893   3.518   5.130
  449    HA   ILE  63           HA       ILE  63  -3.663   3.861   4.213
  450    HB   ILE  63           HB       ILE  63  -1.399   2.346   2.917
  451   1HG1  ILE  63          1HG1      ILE  63  -2.140   4.979   2.629
  452   2HG1  ILE  63          2HG1      ILE  63  -1.241   4.032   1.460
  453   1HG2  ILE  63          1HG2      ILE  63  -4.374   2.149   2.524
  454   2HG2  ILE  63          2HG2      ILE  63  -3.253   1.858   1.173
  455   3HG2  ILE  63          3HG2      ILE  63  -3.156   0.856   2.641
  456   1HD1  ILE  63          1HD1      ILE  63  -4.260   3.868   1.454
  457   2HD1  ILE  63          2HD1      ILE  63  -3.458   5.280   0.727
  458   3HD1  ILE  63          3HD1      ILE  63  -3.119   3.647   0.106
  459    H    ASP  64           H        ASP  64  -5.112   2.177   4.691
  460    HA   ASP  64           HA       ASP  64  -4.010   0.275   6.602
  461   1HB   ASP  64          1HB       ASP  64  -6.898   1.210   6.262
  462   2HB   ASP  64          2HB       ASP  64  -6.315   0.137   7.519
  463    H    PHE  65           H        PHE  65  -6.170  -1.567   6.656
  464    HA   PHE  65           HA       PHE  65  -5.750  -2.932   4.186
  465   1HB   PHE  65          1HB       PHE  65  -5.931  -3.953   6.522
  466   2HB   PHE  65          2HB       PHE  65  -7.600  -3.426   6.597
  467    HD1  PHE  65           HD2      PHE  65  -5.861  -4.935   3.683
  468    HD2  PHE  65           HD1      PHE  65  -8.744  -5.463   6.752
  469    HE1  PHE  65           HE2      PHE  65  -6.591  -7.092   2.627
  470    HE2  PHE  65           HE1      PHE  65  -9.474  -7.620   5.696
  471    HZ   PHE  65           HZ       PHE  65  -8.388  -8.409   3.646
  472    HA   PRO  66           HA       PRO  66 -10.364  -1.886   3.798
  473   1HB   PRO  66          1HB       PRO  66 -11.429   0.083   5.366
  474   2HB   PRO  66          2HB       PRO  66 -11.552  -1.621   5.753
  475   1HG   PRO  66          1HG       PRO  66  -9.815   0.435   6.975
  476   2HG   PRO  66          2HG       PRO  66 -10.265  -1.137   7.604
  477   1HD   PRO  66          1HD       PRO  66  -7.755  -0.418   6.416
  478   2HD   PRO  66          2HD       PRO  66  -8.247  -2.016   6.940
  479    H    GLU  67           H        GLU  67  -7.846   0.305   4.066
  480    HA   GLU  67           HA       GLU  67  -9.216   2.179   2.337
  481   1HB   GLU  67          1HB       GLU  67  -6.383   2.486   3.378
  482   2HB   GLU  67          2HB       GLU  67  -7.499   3.742   2.879
  483   1HG   GLU  67          1HG       GLU  67  -8.419   1.988   5.130
  484   2HG   GLU  67          2HG       GLU  67  -7.078   3.057   5.490
  485    H    PHE  68           H        PHE  68  -6.913  -0.453   2.301
  486    HA   PHE  68           HA       PHE  68  -5.879   0.361  -0.295
  487   1HB   PHE  68          1HB       PHE  68  -4.121  -0.530   1.002
  488   2HB   PHE  68          2HB       PHE  68  -5.208  -1.504   1.971
  489    HD1  PHE  68           HD2      PHE  68  -6.139  -3.641   0.946
  490    HD2  PHE  68           HD1      PHE  68  -2.908  -1.489  -0.768
  491    HE1  PHE  68           HE2      PHE  68  -5.466  -5.683  -0.350
  492    HE2  PHE  68           HE1      PHE  68  -2.235  -3.530  -2.063
  493    HZ   PHE  68           HZ       PHE  68  -3.523  -5.603  -1.839
  494    H    LEU  69           H        LEU  69  -8.085  -1.950   1.266
  495    HA   LEU  69           HA       LEU  69  -8.242  -3.927  -0.596
  496   1HB   LEU  69          1HB       LEU  69 -10.215  -2.660   1.260
  497   2HB   LEU  69          2HB       LEU  69 -10.771  -3.863   0.113
  498    HG   LEU  69           HG       LEU  69  -8.436  -4.455   1.921
  499   1HD1  LEU  69          2HD1      LEU  69 -11.334  -4.317   2.666
  500   2HD1  LEU  69          3HD1      LEU  69 -10.312  -5.596   3.364
  501   3HD1  LEU  69          1HD1      LEU  69  -9.886  -3.885   3.607
  502   1HD2  LEU  69          2HD2      LEU  69  -9.009  -5.939  -0.019
  503   2HD2  LEU  69          3HD2      LEU  69  -9.025  -6.739   1.571
  504   3HD2  LEU  69          1HD2      LEU  69 -10.558  -6.291   0.785
  505    H    THR  70           H        THR  70  -9.268  -0.553  -0.852
  506    HA   THR  70           HA       THR  70 -10.982  -0.952  -3.091
  507    HB   THR  70           HB       THR  70 -11.367   1.007  -1.784
  508    HG1  THR  70           HG1      THR  70 -10.853   2.628  -3.396
  509   1HG2  THR  70          2HG2      THR  70  -8.357   1.162  -1.757
  510   2HG2  THR  70          3HG2      THR  70  -9.249   2.702  -1.771
  511   3HG2  THR  70          1HG2      THR  70  -9.516   1.531  -0.457
  512    H    MET  71           H        MET  71  -7.490  -0.327  -2.651
  513    HA   MET  71           HA       MET  71  -6.937   0.415  -5.236
  514   1HB   MET  71          1HB       MET  71  -5.530  -0.317  -2.835
  515   2HB   MET  71          2HB       MET  71  -4.836  -1.290  -4.116
  516   1HG   MET  71          1HG       MET  71  -5.207   1.416  -5.103
  517   2HG   MET  71          2HG       MET  71  -4.367   1.489  -3.567
  518   1HE   MET  71          1HE       MET  71  -2.380   1.561  -3.317
  519   2HE   MET  71          2HE       MET  71  -1.473   0.039  -3.483
  520   3HE   MET  71          3HE       MET  71  -1.102   1.416  -4.547
  521    H    MET  72           H        MET  72  -6.948  -2.886  -3.729
  522    HA   MET  72           HA       MET  72  -6.121  -4.228  -5.990
  523   1HB   MET  72          1HB       MET  72  -7.933  -5.068  -3.662
  524   2HB   MET  72          2HB       MET  72  -7.279  -6.210  -4.818
  525   1HG   MET  72          1HG       MET  72  -5.158  -4.475  -3.772
  526   2HG   MET  72          2HG       MET  72  -6.016  -5.260  -2.461
  527   1HE   MET  72          1HE       MET  72  -3.248  -5.251  -4.384
  528   2HE   MET  72          2HE       MET  72  -2.710  -6.916  -4.714
  529   3HE   MET  72          3HE       MET  72  -3.818  -6.098  -5.843
  530    H    ALA  73           H        ALA  73  -9.409  -3.275  -4.864
  531    HA   ALA  73           HA       ALA  73 -10.838  -4.726  -6.780
  532   1HB   ALA  73          2HB       ALA  73 -11.484  -2.142  -5.302
  533   2HB   ALA  73          3HB       ALA  73 -12.665  -3.135  -6.191
  534   3HB   ALA  73          1HB       ALA  73 -11.848  -3.796  -4.755
  535    H    ARG  74           H        ARG  74  -9.493  -1.368  -6.760
  536    HA   ARG  74           HA       ARG  74 -10.166  -1.265  -9.586
  537   1HB   ARG  74          1HB       ARG  74  -9.678   0.922  -7.515
  538   2HB   ARG  74          2HB       ARG  74  -9.701   1.274  -9.232
  539   1HG   ARG  74          1HG       ARG  74 -11.953   1.513  -9.006
  540   2HG   ARG  74          2HG       ARG  74 -12.018  -0.237  -8.928
  541   1HD   ARG  74          1HD       ARG  74 -13.202   0.578  -6.985
  542   2HD   ARG  74          2HD       ARG  74 -11.679  -0.064  -6.402
  543    HE   ARG  74           HE       ARG  74 -10.949   2.126  -5.883
  544   1HH1  ARG  74          2HH2      ARG  74 -13.958   2.232  -7.704
  545   2HH1  ARG  74          1HH2      ARG  74 -14.235   3.913  -7.394
  546   1HH2  ARG  74          2HH1      ARG  74 -11.314   4.344  -5.474
  547   2HH2  ARG  74          1HH1      ARG  74 -12.721   5.123  -6.117
  548    H    LYS  75           H        LYS  75  -8.071  -2.819  -9.440
  549    HA   LYS  75           HA       LYS  75  -5.586  -2.011  -8.839
  550   1HB   LYS  75          1HB       LYS  75  -6.776  -4.027 -10.424
  551   2HB   LYS  75          2HB       LYS  75  -5.533  -3.302 -11.423
  552   1HG   LYS  75          1HG       LYS  75  -4.781  -3.830  -8.569
  553   2HG   LYS  75          2HG       LYS  75  -5.026  -5.245  -9.573
  554   1HD   LYS  75          1HD       LYS  75  -3.309  -2.951 -10.575
  555   2HD   LYS  75          2HD       LYS  75  -2.636  -4.130  -9.467
  556   1HE   LYS  75          1HE       LYS  75  -4.039  -4.920 -12.060
  557   2HE   LYS  75          2HE       LYS  75  -2.313  -4.631 -11.967
  558   1HZ   LYS  75          1HZ       LYS  75  -3.740  -6.576 -10.290
  559   2HZ   LYS  75          2HZ       LYS  75  -2.935  -6.956 -11.658
  560   3HZ   LYS  75          3HZ       LYS  75  -2.122  -6.366 -10.370
   
  No H/Q in entry =         560
  Start of MODEL    3
    1    H    MET   0           H        MET   0 -29.544 -21.347   3.645
    2    HA   MET   0           HA       MET   0 -29.056 -19.567   2.027
    3   1HB   MET   0          1HB       MET   0 -28.155 -19.494   4.932
    4   2HB   MET   0          2HB       MET   0 -27.928 -18.064   3.945
    5   1HG   MET   0          1HG       MET   0 -30.620 -19.117   3.538
    6   2HG   MET   0          2HG       MET   0 -30.323 -18.904   5.252
    7   1HE   MET   0          1HE       MET   0 -31.393 -17.525   2.134
    8   2HE   MET   0          2HE       MET   0 -32.492 -17.045   3.449
    9   3HE   MET   0          3HE       MET   0 -31.654 -15.801   2.491
   10    H    ALA   1           H        ALA   1 -27.527 -18.548   0.734
   11    HA   ALA   1           HA       ALA   1 -24.929 -18.074   1.208
   12   1HB   ALA   1          2HB       ALA   1 -25.374 -20.958   0.464
   13   2HB   ALA   1          3HB       ALA   1 -23.926 -20.119  -0.143
   14   3HB   ALA   1          1HB       ALA   1 -24.211 -20.247   1.609
   15    H    ASP   2           H        ASP   2 -25.122 -16.369  -0.195
   16    HA   ASP   2           HA       ASP   2 -25.081 -17.012  -2.955
   17   1HB   ASP   2          1HB       ASP   2 -27.611 -16.691  -1.973
   18   2HB   ASP   2          2HB       ASP   2 -27.219 -15.013  -2.294
   19    H    GLN   3           H        GLN   3 -23.455 -15.695  -0.799
   20    HA   GLN   3           HA       GLN   3 -22.733 -13.399  -2.248
   21   1HB   GLN   3          1HB       GLN   3 -23.174 -11.695  -0.516
   22   2HB   GLN   3          2HB       GLN   3 -24.670 -12.420  -1.071
   23   1HG   GLN   3          1HG       GLN   3 -24.182 -14.111   0.977
   24   2HG   GLN   3          2HG       GLN   3 -23.272 -12.739   1.578
   25   1HE2  GLN   3          1HE2      GLN   3 -24.308 -10.758   1.963
   26   2HE2  GLN   3          2HE2      GLN   3 -26.015 -10.644   2.237
   27    H    LEU   4           H        LEU   4 -20.534 -13.426  -2.106
   28    HA   LEU   4           HA       LEU   4 -19.158 -15.090  -0.395
   29   1HB   LEU   4          1HB       LEU   4 -17.180 -13.663  -1.054
   30   2HB   LEU   4          2HB       LEU   4 -18.083 -14.436  -2.341
   31    HG   LEU   4           HG       LEU   4 -19.006 -11.708  -1.729
   32   1HD1  LEU   4          1HD1      LEU   4 -16.148 -12.211  -2.021
   33   2HD1  LEU   4          2HD1      LEU   4 -16.783 -11.118  -3.275
   34   3HD1  LEU   4          3HD1      LEU   4 -17.014 -10.728  -1.553
   35   1HD2  LEU   4          3HD2      LEU   4 -18.549 -13.462  -4.085
   36   2HD2  LEU   4          1HD2      LEU   4 -19.928 -12.414  -3.674
   37   3HD2  LEU   4          2HD2      LEU   4 -18.442 -11.705  -4.349
   38    H    THR   5           H        THR   5 -17.236 -14.012   1.058
   39    HA   THR   5           HA       THR   5 -18.236 -11.826   2.662
   40    HB   THR   5           HB       THR   5 -18.779 -13.055   4.571
   41    HG1  THR   5           HG1      THR   5 -17.151 -15.218   3.452
   42   1HG2  THR   5          2HG2      THR   5 -19.012 -15.271   2.467
   43   2HG2  THR   5          3HG2      THR   5 -19.861 -15.214   4.031
   44   3HG2  THR   5          1HG2      THR   5 -20.254 -14.030   2.761
   45    H    GLU   6           H        GLU   6 -16.543 -12.197   4.884
   46    HA   GLU   6           HA       GLU   6 -14.301 -11.006   4.085
   47   1HB   GLU   6          1HB       GLU   6 -14.662 -12.974   6.383
   48   2HB   GLU   6          2HB       GLU   6 -13.243 -11.963   6.204
   49   1HG   GLU   6          1HG       GLU   6 -14.843  -9.942   6.109
   50   2HG   GLU   6          2HG       GLU   6 -16.123 -11.038   6.588
   51    H    GLU   7           H        GLU   7 -15.018 -14.502   3.974
   52    HA   GLU   7           HA       GLU   7 -12.680 -15.683   3.782
   53   1HB   GLU   7          1HB       GLU   7 -15.174 -16.021   2.100
   54   2HB   GLU   7          2HB       GLU   7 -13.780 -17.040   1.801
   55   1HG   GLU   7          1HG       GLU   7 -14.232 -16.939   4.659
   56   2HG   GLU   7          2HG       GLU   7 -15.757 -17.301   3.875
   57    H    GLN   8           H        GLN   8 -14.116 -13.556   1.260
   58    HA   GLN   8           HA       GLN   8 -12.086 -14.085  -0.612
   59   1HB   GLN   8          1HB       GLN   8 -14.546 -12.619  -0.505
   60   2HB   GLN   8          2HB       GLN   8 -13.310 -11.496  -1.035
   61   1HG   GLN   8          1HG       GLN   8 -13.703 -12.401  -3.103
   62   2HG   GLN   8          2HG       GLN   8 -12.636 -13.677  -2.553
   63   1HE2  GLN   8          2HE2      GLN   8 -15.626 -15.638  -1.380
   64   2HE2  GLN   8          1HE2      GLN   8 -14.309 -14.826  -0.600
   65    H    ILE   9           H        ILE   9 -12.732 -11.394   1.729
   66    HA   ILE   9           HA       ILE   9 -10.610  -9.780   1.038
   67    HB   ILE   9           HB       ILE   9 -12.636  -9.701   2.830
   68   1HG1  ILE   9          1HG1      ILE   9 -11.146  -7.613   3.696
   69   2HG1  ILE   9          2HG1      ILE   9 -10.276  -8.001   2.225
   70   1HG2  ILE   9          2HG2      ILE   9 -11.372 -11.138   4.415
   71   2HG2  ILE   9          3HG2      ILE   9 -10.122  -9.874   4.512
   72   3HG2  ILE   9          1HG2      ILE   9 -11.777  -9.534   5.073
   73   1HD1  ILE   9          1HD1      ILE   9 -13.298  -7.845   2.154
   74   2HD1  ILE   9          2HD1      ILE   9 -12.332  -6.350   2.124
   75   3HD1  ILE   9          3HD1      ILE   9 -12.128  -7.567   0.841
   76    H    ALA  10           H        ALA  10 -10.742 -12.594   3.298
   77    HA   ALA  10           HA       ALA  10  -8.323 -12.485   4.458
   78   1HB   ALA  10          2HB       ALA  10 -10.288 -14.491   3.799
   79   2HB   ALA  10          3HB       ALA  10  -8.659 -15.175   3.585
   80   3HB   ALA  10          1HB       ALA  10  -9.127 -14.464   5.148
   81    H    GLU  11           H        GLU  11  -9.049 -13.400   1.056
   82    HA   GLU  11           HA       GLU  11  -6.455 -14.243   0.479
   83   1HB   GLU  11          1HB       GLU  11  -8.616 -13.151  -1.377
   84   2HB   GLU  11          2HB       GLU  11  -7.181 -14.006  -1.906
   85   1HG   GLU  11          1HG       GLU  11  -7.877 -16.015  -0.609
   86   2HG   GLU  11          2HG       GLU  11  -9.291 -15.162  -0.022
   87    H    PHE  12           H        PHE  12  -8.156 -11.074   0.158
   88    HA   PHE  12           HA       PHE  12  -6.116  -9.747  -1.190
   89   1HB   PHE  12          1HB       PHE  12  -8.364  -8.997   0.751
   90   2HB   PHE  12          2HB       PHE  12  -7.328  -7.748   0.090
   91    HD1  PHE  12           HD1      PHE  12  -9.853 -10.290  -0.745
   92    HD2  PHE  12           HD2      PHE  12  -7.553  -7.028  -2.184
   93    HE1  PHE  12           HE1      PHE  12 -11.300 -10.173  -2.793
   94    HE2  PHE  12           HE2      PHE  12  -9.000  -6.911  -4.232
   95    HZ   PHE  12           HZ       PHE  12 -10.856  -8.485  -4.512
   96    H    LYS  13           H        LYS  13  -6.631 -10.471   2.276
   97    HA   LYS  13           HA       LYS  13  -5.091  -8.692   3.545
   98   1HB   LYS  13          1HB       LYS  13  -5.226 -11.690   3.970
   99   2HB   LYS  13          2HB       LYS  13  -4.482 -10.580   5.104
  100   1HG   LYS  13          1HG       LYS  13  -6.751  -9.271   5.005
  101   2HG   LYS  13          2HG       LYS  13  -7.401 -10.720   4.264
  102   1HD   LYS  13          1HD       LYS  13  -6.729 -12.074   6.220
  103   2HD   LYS  13          2HD       LYS  13  -5.943 -10.687   6.948
  104   1HE   LYS  13          1HE       LYS  13  -8.917 -10.739   6.258
  105   2HE   LYS  13          2HE       LYS  13  -8.293 -11.207   7.827
  106   1HZ   LYS  13          1HZ       LYS  13  -7.262  -8.713   6.951
  107   2HZ   LYS  13          2HZ       LYS  13  -8.892  -8.699   7.063
  108   3HZ   LYS  13          3HZ       LYS  13  -7.987  -9.098   8.363
  109    H    GLU  14           H        GLU  14  -3.741 -11.773   2.155
  110    HA   GLU  14           HA       GLU  14  -1.143 -11.247   2.590
  111   1HB   GLU  14          1HB       GLU  14  -2.455 -12.630   0.215
  112   2HB   GLU  14          2HB       GLU  14  -0.727 -12.670   0.501
  113   1HG   GLU  14          1HG       GLU  14  -1.602 -13.408   2.982
  114   2HG   GLU  14          2HG       GLU  14  -2.937 -14.011   2.020
  115    H    ALA  15           H        ALA  15  -3.242  -9.965  -0.023
  116    HA   ALA  15           HA       ALA  15  -1.257  -8.872  -1.627
  117   1HB   ALA  15          2HB       ALA  15  -3.900  -9.142  -1.842
  118   2HB   ALA  15          3HB       ALA  15  -3.883  -7.466  -1.242
  119   3HB   ALA  15          1HB       ALA  15  -3.024  -7.882  -2.744
  120    H    PHE  16           H        PHE  16  -3.201  -7.335   1.035
  121    HA   PHE  16           HA       PHE  16  -1.941  -4.886   0.959
  122   1HB   PHE  16          1HB       PHE  16  -4.030  -5.625   2.239
  123   2HB   PHE  16          2HB       PHE  16  -3.004  -6.521   3.342
  124    HD1  PHE  16           HD1      PHE  16  -3.330  -3.050   1.994
  125    HD2  PHE  16           HD2      PHE  16  -2.453  -5.512   5.337
  126    HE1  PHE  16           HE1      PHE  16  -3.095  -1.009   3.436
  127    HE2  PHE  16           HE2      PHE  16  -2.219  -3.471   6.779
  128    HZ   PHE  16           HZ       PHE  16  -2.543  -1.244   5.811
  129    H    SER  17           H        SER  17  -0.960  -7.963   2.508
  130    HA   SER  17           HA       SER  17   0.954  -6.921   4.190
  131   1HB   SER  17          1HB       SER  17   0.523  -9.153   4.633
  132   2HB   SER  17          2HB       SER  17   0.390  -9.582   2.940
  133    HG   SER  17           HG       SER  17   2.504  -9.939   4.553
  134    H    LEU  18           H        LEU  18   1.233  -8.202   0.801
  135    HA   LEU  18           HA       LEU  18   3.859  -8.059   0.350
  136   1HB   LEU  18          1HB       LEU  18   1.443  -7.831  -1.221
  137   2HB   LEU  18          2HB       LEU  18   2.719  -6.844  -1.906
  138    HG   LEU  18           HG       LEU  18   4.068  -9.176  -1.425
  139   1HD1  LEU  18          1HD1      LEU  18   1.205  -9.901  -2.082
  140   2HD1  LEU  18          2HD1      LEU  18   2.590 -10.985  -2.358
  141   3HD1  LEU  18          3HD1      LEU  18   2.193 -10.452  -0.707
  142   1HD2  LEU  18          3HD2      LEU  18   2.557  -8.343  -3.916
  143   2HD2  LEU  18          1HD2      LEU  18   4.222  -7.902  -3.464
  144   3HD2  LEU  18          2HD2      LEU  18   3.825  -9.592  -3.861
  145    H    PHE  19           H        PHE  19   1.601  -5.223   0.255
  146    HA   PHE  19           HA       PHE  19   3.756  -3.409  -0.171
  147   1HB   PHE  19          1HB       PHE  19   0.779  -3.309   0.529
  148   2HB   PHE  19          2HB       PHE  19   1.714  -1.827   0.536
  149    HD1  PHE  19           HD2      PHE  19   3.335  -1.768  -1.731
  150    HD2  PHE  19           HD1      PHE  19  -0.489  -3.570  -1.364
  151    HE1  PHE  19           HE2      PHE  19   2.990  -1.538  -4.206
  152    HE2  PHE  19           HE1      PHE  19  -0.835  -3.340  -3.840
  153    HZ   PHE  19           HZ       PHE  19   0.909  -2.327  -5.231
  154    H    ASP  20           H        ASP  20   1.726  -4.438   2.634
  155    HA   ASP  20           HA       ASP  20   3.070  -2.584   4.334
  156   1HB   ASP  20          1HB       ASP  20   0.747  -3.063   4.816
  157   2HB   ASP  20          2HB       ASP  20   1.022  -4.793   4.776
  158    H    LYS  21           H        LYS  21   5.314  -3.325   4.218
  159    HA   LYS  21           HA       LYS  21   6.061  -5.999   4.536
  160   1HB   LYS  21          1HB       LYS  21   7.309  -3.582   3.948
  161   2HB   LYS  21          2HB       LYS  21   8.023  -4.045   5.479
  162   1HG   LYS  21          1HG       LYS  21   7.933  -6.459   4.024
  163   2HG   LYS  21          2HG       LYS  21   8.366  -5.261   2.820
  164   1HD   LYS  21          1HD       LYS  21  10.496  -5.564   3.601
  165   2HD   LYS  21          2HD       LYS  21  10.001  -4.477   4.884
  166   1HE   LYS  21          1HE       LYS  21   9.132  -7.201   5.493
  167   2HE   LYS  21          2HE       LYS  21  10.850  -7.183   5.148
  168   1HZ   LYS  21          3HZ       LYS  21  11.018  -5.319   6.730
  169   2HZ   LYS  21          1HZ       LYS  21   9.449  -5.529   7.128
  170   3HZ   LYS  21          2HZ       LYS  21  10.531  -6.715   7.423
  171    H    ASP  22           H        ASP  22   6.230  -3.263   6.931
  172    HA   ASP  22           HA       ASP  22   6.993  -4.684   9.068
  173   1HB   ASP  22          1HB       ASP  22   4.762  -2.645   9.333
  174   2HB   ASP  22          2HB       ASP  22   6.116  -2.914  10.412
  175    H    GLY  23           H        GLY  23   3.930  -4.782   7.335
  176   1HA   GLY  23          1HA       GLY  23   2.050  -5.983   7.595
  177   2HA   GLY  23          2HA       GLY  23   2.991  -7.087   8.578
  178    H    ASP  24           H        ASP  24   2.981  -3.772   9.684
  179    HA   ASP  24           HA       ASP  24   1.915  -4.447  12.124
  180   1HB   ASP  24          1HB       ASP  24   1.667  -1.938  12.419
  181   2HB   ASP  24          2HB       ASP  24   3.258  -2.454  11.897
  182    H    GLY  25           H        GLY  25   0.457  -3.383   9.049
  183   1HA   GLY  25          1HA       GLY  25  -1.891  -4.182   8.836
  184   2HA   GLY  25          2HA       GLY  25  -2.209  -3.327  10.333
  185    H    THR  26           H        THR  26   0.169  -1.547   8.750
  186    HA   THR  26           HA       THR  26  -1.778  -0.020   7.169
  187    HB   THR  26           HB       THR  26  -0.790   2.064   8.206
  188    HG1  THR  26           HG1      THR  26   1.193   1.337   9.023
  189   1HG2  THR  26          3HG2      THR  26  -2.547   0.182   9.513
  190   2HG2  THR  26          1HG2      THR  26  -1.436   0.834  10.742
  191   3HG2  THR  26          2HG2      THR  26  -2.443   1.939   9.776
  192    H    ILE  27           H        ILE  27  -0.937   1.098   5.377
  193    HA   ILE  27           HA       ILE  27   1.803   0.263   4.720
  194    HB   ILE  27           HB       ILE  27  -0.610   0.637   2.946
  195   1HG1  ILE  27          1HG1      ILE  27   1.066  -1.837   3.447
  196   2HG1  ILE  27          2HG1      ILE  27  -0.427  -1.485   4.294
  197   1HG2  ILE  27          1HG2      ILE  27   1.785   1.412   2.130
  198   2HG2  ILE  27          2HG2      ILE  27   2.006  -0.338   1.885
  199   3HG2  ILE  27          3HG2      ILE  27   0.677   0.515   1.064
  200   1HD1  ILE  27          1HD1      ILE  27  -1.644  -1.381   2.114
  201   2HD1  ILE  27          2HD1      ILE  27  -0.127  -1.770   1.269
  202   3HD1  ILE  27          3HD1      ILE  27  -0.864  -2.961   2.367
  203    H    THR  28           H        THR  28   3.164   1.946   5.025
  204    HA   THR  28           HA       THR  28   2.161   4.647   4.769
  205    HB   THR  28           HB       THR  28   3.684   3.941   6.628
  206    HG1  THR  28           HG1      THR  28   3.898   6.125   5.981
  207   1HG2  THR  28          2HG2      THR  28   5.065   2.287   5.257
  208   2HG2  THR  28          3HG2      THR  28   5.781   3.680   4.412
  209   3HG2  THR  28          1HG2      THR  28   6.044   3.468   6.160
  210    H    THR  29           H        THR  29   4.808   5.675   3.849
  211    HA   THR  29           HA       THR  29   4.230   5.391   1.008
  212    HB   THR  29           HB       THR  29   5.806   7.390   0.913
  213    HG1  THR  29           HG1      THR  29   5.511   7.442   3.782
  214   1HG2  THR  29          1HG2      THR  29   3.507   7.500   2.933
  215   2HG2  THR  29          2HG2      THR  29   4.378   8.941   2.354
  216   3HG2  THR  29          3HG2      THR  29   3.437   7.951   1.213
  217    H    LYS  30           H        LYS  30   6.928   4.904   3.349
  218    HA   LYS  30           HA       LYS  30   8.750   4.073   1.367
  219   1HB   LYS  30          1HB       LYS  30   9.082   4.904   3.842
  220   2HB   LYS  30          2HB       LYS  30   8.933   3.204   4.236
  221   1HG   LYS  30          1HG       LYS  30  10.732   2.715   2.496
  222   2HG   LYS  30          2HG       LYS  30  10.943   4.443   2.299
  223   1HD   LYS  30          1HD       LYS  30  12.332   4.477   4.087
  224   2HD   LYS  30          2HD       LYS  30  11.018   3.944   5.117
  225   1HE   LYS  30          1HE       LYS  30  12.424   1.870   3.431
  226   2HE   LYS  30          2HE       LYS  30  13.262   2.490   4.840
  227   1HZ   LYS  30          2HZ       LYS  30  10.953   2.017   5.926
  228   2HZ   LYS  30          3HZ       LYS  30  10.827   0.934   4.711
  229   3HZ   LYS  30          1HZ       LYS  30  12.069   0.836   5.766
  230    H    GLU  31           H        GLU  31   5.998   2.573   2.896
  231    HA   GLU  31           HA       GLU  31   6.984  -0.061   2.243
  232   1HB   GLU  31          1HB       GLU  31   4.415   0.862   3.603
  233   2HB   GLU  31          2HB       GLU  31   4.837  -0.817   3.335
  234   1HG   GLU  31          1HG       GLU  31   6.837  -0.609   4.737
  235   2HG   GLU  31          2HG       GLU  31   6.624   1.126   4.869
  236    H    LEU  32           H        LEU  32   5.294   2.514   0.769
  237    HA   LEU  32           HA       LEU  32   3.671   0.753  -0.885
  238   1HB   LEU  32          1HB       LEU  32   2.869   2.934   0.183
  239   2HB   LEU  32          2HB       LEU  32   3.843   3.756  -1.020
  240    HG   LEU  32           HG       LEU  32   2.408   2.069  -2.612
  241   1HD1  LEU  32          3HD1      LEU  32   0.829   2.518  -0.113
  242   2HD1  LEU  32          1HD1      LEU  32  -0.014   2.542  -1.680
  243   3HD1  LEU  32          2HD1      LEU  32   0.904   1.099  -1.185
  244   1HD2  LEU  32          1HD2      LEU  32   2.399   4.892  -1.920
  245   2HD2  LEU  32          2HD2      LEU  32   2.205   4.098  -3.501
  246   3HD2  LEU  32          3HD2      LEU  32   0.793   4.330  -2.443
  247    H    GLY  33           H        GLY  33   6.551   2.875  -0.972
  248   1HA   GLY  33          1HA       GLY  33   6.872   2.570  -3.831
  249   2HA   GLY  33          2HA       GLY  33   7.933   3.403  -2.712
  250    H    THR  34           H        THR  34   7.509   0.651  -1.038
  251    HA   THR  34           HA       THR  34  10.014  -0.431  -1.840
  252    HB   THR  34           HB       THR  34   7.937  -0.811   0.272
  253    HG1  THR  34           HG1      THR  34   9.938  -0.716   1.435
  254   1HG2  THR  34          2HG2      THR  34   9.555  -3.094  -0.882
  255   2HG2  THR  34          3HG2      THR  34   9.428  -2.959   0.888
  256   3HG2  THR  34          1HG2      THR  34   7.957  -3.135  -0.099
  257    H    VAL  35           H        VAL  35   6.694  -1.907  -1.834
  258    HA   VAL  35           HA       VAL  35   7.354  -4.153  -3.244
  259    HB   VAL  35           HB       VAL  35   4.898  -2.526  -2.825
  260   1HG1  VAL  35          1HG1      VAL  35   5.097  -4.761  -4.867
  261   2HG1  VAL  35          2HG1      VAL  35   3.568  -4.156  -4.187
  262   3HG1  VAL  35          3HG1      VAL  35   4.603  -3.075  -5.150
  263   1HG2  VAL  35          1HG2      VAL  35   5.749  -4.212  -1.184
  264   2HG2  VAL  35          2HG2      VAL  35   4.095  -4.535  -1.759
  265   3HG2  VAL  35          3HG2      VAL  35   5.461  -5.478  -2.401
  266    H    MET  36           H        MET  36   7.065  -0.810  -4.349
  267    HA   MET  36           HA       MET  36   6.709  -1.422  -7.059
  268   1HB   MET  36          1HB       MET  36   7.907   1.024  -5.641
  269   2HB   MET  36          2HB       MET  36   7.475   1.001  -7.339
  270   1HG   MET  36          1HG       MET  36   5.198   0.021  -5.870
  271   2HG   MET  36          2HG       MET  36   5.758   1.468  -5.056
  272   1HE   MET  36          3HE       MET  36   3.586   0.099  -7.646
  273   2HE   MET  36          1HE       MET  36   2.918   1.273  -6.487
  274   3HE   MET  36          2HE       MET  36   2.892   1.630  -8.231
  275    H    ARG  37           H        ARG  37   9.604  -0.783  -4.999
  276    HA   ARG  37           HA       ARG  37  11.403  -0.751  -7.109
  277   1HB   ARG  37          1HB       ARG  37  11.671  -1.309  -4.126
  278   2HB   ARG  37          2HB       ARG  37  13.070  -1.382  -5.179
  279   1HG   ARG  37          1HG       ARG  37  13.105   0.906  -5.537
  280   2HG   ARG  37          2HG       ARG  37  11.360   1.054  -5.485
  281   1HD   ARG  37          1HD       ARG  37  12.015   0.259  -2.868
  282   2HD   ARG  37          2HD       ARG  37  13.325   1.340  -3.299
  283    HE   ARG  37           HE       ARG  37  10.496   2.063  -2.961
  284   1HH1  ARG  37          2HH2      ARG  37  13.602   3.025  -4.308
  285   2HH1  ARG  37          1HH2      ARG  37  13.200   4.708  -4.366
  286   1HH2  ARG  37          2HH1      ARG  37   9.965   4.284  -3.038
  287   2HH2  ARG  37          1HH1      ARG  37  11.117   5.430  -3.638
  288    H    SER  38           H        SER  38   9.637  -3.321  -5.558
  289    HA   SER  38           HA       SER  38  11.529  -5.275  -6.591
  290   1HB   SER  38          1HB       SER  38  10.844  -5.375  -4.147
  291   2HB   SER  38          2HB       SER  38   9.207  -5.724  -4.666
  292    HG   SER  38           HG       SER  38  11.573  -7.323  -5.136
  293    H    LEU  39           H        LEU  39   9.729  -3.726  -8.321
  294    HA   LEU  39           HA       LEU  39   8.330  -5.971  -9.505
  295   1HB   LEU  39          1HB       LEU  39   6.751  -4.800  -7.926
  296   2HB   LEU  39          2HB       LEU  39   6.881  -3.384  -8.949
  297    HG   LEU  39           HG       LEU  39   6.209  -5.764 -10.496
  298   1HD1  LEU  39          2HD1      LEU  39   4.414  -5.015  -8.179
  299   2HD1  LEU  39          3HD1      LEU  39   3.854  -5.911  -9.612
  300   3HD1  LEU  39          1HD1      LEU  39   5.113  -6.607  -8.563
  301   1HD2  LEU  39          3HD2      LEU  39   5.890  -3.036 -10.699
  302   2HD2  LEU  39          1HD2      LEU  39   5.121  -4.261 -11.736
  303   3HD2  LEU  39          2HD2      LEU  39   4.242  -3.602 -10.336
  304    H    GLY  40           H        GLY  40   9.231  -2.473  -9.630
  305   1HA   GLY  40          1HA       GLY  40  10.830  -2.252 -11.650
  306   2HA   GLY  40          2HA       GLY  40   9.391  -2.670 -12.559
  307    H    GLN  41           H        GLN  41   9.721  -0.659  -9.560
  308    HA   GLN  41           HA       GLN  41   9.137   1.687 -11.117
  309   1HB   GLN  41          1HB       GLN  41   7.168   0.351  -9.322
  310   2HB   GLN  41          2HB       GLN  41   7.326   2.080  -9.088
  311   1HG   GLN  41          1HG       GLN  41   7.141   2.229 -11.709
  312   2HG   GLN  41          2HG       GLN  41   6.522   0.593 -11.611
  313   1HE2  GLN  41          2HE2      GLN  41   3.402   1.381 -10.229
  314   2HE2  GLN  41          1HE2      GLN  41   4.580   0.160 -10.581
  315    H    ASN  42           H        ASN  42   8.831   3.621  -9.284
  316    HA   ASN  42           HA       ASN  42  10.111   3.316  -6.878
  317   1HB   ASN  42          1HB       ASN  42  12.110   2.887  -8.467
  318   2HB   ASN  42          2HB       ASN  42  11.967   4.560  -8.969
  319   1HD2  ASN  42          2HD2      ASN  42  14.348   3.854  -6.003
  320   2HD2  ASN  42          1HD2      ASN  42  13.995   2.927  -7.423
  321    HA   PRO  43           HA       PRO  43   8.142   7.306  -8.089
  322   1HB   PRO  43          1HB       PRO  43   5.887   7.145  -6.553
  323   2HB   PRO  43          2HB       PRO  43   5.933   6.673  -8.240
  324   1HG   PRO  43          1HG       PRO  43   5.869   4.955  -5.835
  325   2HG   PRO  43          2HG       PRO  43   5.490   4.536  -7.494
  326   1HD   PRO  43          1HD       PRO  43   7.893   3.891  -6.066
  327   2HD   PRO  43          2HD       PRO  43   7.562   3.574  -7.758
  328    H    THR  44           H        THR  44   8.558   9.249  -7.163
  329    HA   THR  44           HA       THR  44  10.050   9.191  -4.795
  330    HB   THR  44           HB       THR  44   9.809  11.698  -5.015
  331    HG1  THR  44           HG1      THR  44   8.291  12.392  -6.632
  332   1HG2  THR  44          3HG2      THR  44  10.555   9.905  -7.289
  333   2HG2  THR  44          1HG2      THR  44  10.179  11.584  -7.745
  334   3HG2  THR  44          2HG2      THR  44  11.469  11.249  -6.565
  335    H    GLU  45           H        GLU  45   9.579  10.235  -2.718
  336    HA   GLU  45           HA       GLU  45   7.421   9.103  -1.520
  337   1HB   GLU  45          1HB       GLU  45   9.142  11.492  -0.786
  338   2HB   GLU  45          2HB       GLU  45   7.845  10.967   0.269
  339   1HG   GLU  45          1HG       GLU  45   8.965   9.070   0.928
  340   2HG   GLU  45          2HG       GLU  45   9.587   8.752  -0.679
  341    H    ALA  46           H        ALA  46   7.665  12.158  -3.313
  342    HA   ALA  46           HA       ALA  46   5.292  13.317  -2.324
  343   1HB   ALA  46          3HB       ALA  46   7.366  14.249  -3.715
  344   2HB   ALA  46          1HB       ALA  46   6.312  13.861  -5.096
  345   3HB   ALA  46          2HB       ALA  46   5.756  14.997  -3.844
  346    H    GLU  47           H        GLU  47   6.084  11.227  -5.165
  347    HA   GLU  47           HA       GLU  47   3.587  11.330  -6.317
  348   1HB   GLU  47          1HB       GLU  47   5.544  10.434  -7.483
  349   2HB   GLU  47          2HB       GLU  47   5.688   9.122  -6.331
  350   1HG   GLU  47          1HG       GLU  47   4.252   7.866  -7.551
  351   2HG   GLU  47          2HG       GLU  47   2.994   9.066  -7.333
  352    H    LEU  48           H        LEU  48   4.973   8.709  -4.197
  353    HA   LEU  48           HA       LEU  48   2.760   7.162  -3.956
  354   1HB   LEU  48          1HB       LEU  48   4.764   7.821  -1.793
  355   2HB   LEU  48          2HB       LEU  48   3.689   6.437  -1.808
  356    HG   LEU  48           HG       LEU  48   5.599   6.847  -4.091
  357   1HD1  LEU  48          3HD1      LEU  48   6.309   5.737  -1.365
  358   2HD1  LEU  48          1HD1      LEU  48   7.263   5.449  -2.840
  359   3HD1  LEU  48          2HD1      LEU  48   7.061   7.105  -2.221
  360   1HD2  LEU  48          2HD2      LEU  48   4.191   4.497  -2.827
  361   2HD2  LEU  48          3HD2      LEU  48   4.091   5.101  -4.499
  362   3HD2  LEU  48          1HD2      LEU  48   5.571   4.292  -3.932
  363    H    GLN  49           H        GLN  49   3.660   9.884  -1.716
  364    HA   GLN  49           HA       GLN  49   1.547   9.844  -0.104
  365   1HB   GLN  49          1HB       GLN  49   3.595  11.565  -0.484
  366   2HB   GLN  49          2HB       GLN  49   2.314  12.548  -1.165
  367   1HG   GLN  49          1HG       GLN  49   2.018  13.191   1.023
  368   2HG   GLN  49          2HG       GLN  49   1.049  11.733   1.101
  369   1HE2  GLN  49          2HE2      GLN  49   2.919  10.614   3.789
  370   2HE2  GLN  49          1HE2      GLN  49   1.387  11.022   3.091
  371    H    ASP  50           H        ASP  50   1.648  11.242  -3.431
  372    HA   ASP  50           HA       ASP  50  -0.878  12.359  -3.352
  373   1HB   ASP  50          1HB       ASP  50   1.208  11.845  -5.295
  374   2HB   ASP  50          2HB       ASP  50  -0.326  11.383  -6.006
  375    H    MET  51           H        MET  51   0.375   9.084  -4.181
  376    HA   MET  51           HA       MET  51  -2.057   8.138  -5.216
  377   1HB   MET  51          1HB       MET  51   0.292   6.602  -3.970
  378   2HB   MET  51          2HB       MET  51  -0.912   5.915  -5.041
  379   1HG   MET  51          1HG       MET  51  -0.133   7.209  -6.924
  380   2HG   MET  51          2HG       MET  51   0.808   8.277  -5.903
  381   1HE   MET  51          2HE       MET  51   0.140   4.665  -6.806
  382   2HE   MET  51          3HE       MET  51   1.129   5.147  -8.205
  383   3HE   MET  51          1HE       MET  51   1.751   3.947  -7.047
  384    H    ILE  52           H        ILE  52  -0.363   7.609  -2.040
  385    HA   ILE  52           HA       ILE  52  -2.160   5.984  -0.834
  386    HB   ILE  52           HB       ILE  52  -0.422   8.198   0.214
  387   1HG1  ILE  52          1HG1      ILE  52  -0.261   5.187   0.095
  388   2HG1  ILE  52          2HG1      ILE  52   0.846   6.369  -0.573
  389   1HG2  ILE  52          3HG2      ILE  52  -2.635   6.941   1.597
  390   2HG2  ILE  52          1HG2      ILE  52  -1.084   6.565   2.386
  391   3HG2  ILE  52          2HG2      ILE  52  -1.559   8.260   2.120
  392   1HD1  ILE  52          1HD1      ILE  52   0.926   7.090   2.072
  393   2HD1  ILE  52          2HD1      ILE  52   0.627   5.341   2.214
  394   3HD1  ILE  52          3HD1      ILE  52   2.053   5.931   1.327
  395    H    ASN  53           H        ASN  53  -2.329   9.581  -1.141
  396    HA   ASN  53           HA       ASN  53  -4.499  10.014   0.411
  397   1HB   ASN  53          1HB       ASN  53  -3.238  11.336  -1.944
  398   2HB   ASN  53          2HB       ASN  53  -4.930  11.744  -1.738
  399   1HD2  ASN  53          2HD2      ASN  53  -2.288  13.764   0.321
  400   2HD2  ASN  53          1HD2      ASN  53  -2.130  12.998  -1.225
  401    H    GLU  54           H        GLU  54  -4.256   8.799  -2.971
  402    HA   GLU  54           HA       GLU  54  -6.928   9.028  -3.632
  403   1HB   GLU  54          1HB       GLU  54  -4.925   6.942  -4.603
  404   2HB   GLU  54          2HB       GLU  54  -6.406   7.396  -5.421
  405   1HG   GLU  54          1HG       GLU  54  -5.351   9.863  -5.231
  406   2HG   GLU  54          2HG       GLU  54  -3.849   8.968  -5.111
  407    H    VAL  55           H        VAL  55  -5.116   6.572  -1.781
  408    HA   VAL  55           HA       VAL  55  -7.623   5.071  -1.475
  409    HB   VAL  55           HB       VAL  55  -5.671   3.422  -0.547
  410   1HG1  VAL  55          1HG1      VAL  55  -7.337   3.661  -2.918
  411   2HG1  VAL  55          2HG1      VAL  55  -5.806   2.829  -3.281
  412   3HG1  VAL  55          3HG1      VAL  55  -6.870   2.213  -1.994
  413   1HG2  VAL  55          2HG2      VAL  55  -3.944   5.111  -1.293
  414   2HG2  VAL  55          3HG2      VAL  55  -3.747   3.473  -1.963
  415   3HG2  VAL  55          1HG2      VAL  55  -4.439   4.769  -2.968
  416    H    ASP  56           H        ASP  56  -7.002   7.574  -0.086
  417    HA   ASP  56           HA       ASP  56  -7.329   6.546   2.554
  418   1HB   ASP  56          1HB       ASP  56  -4.944   6.699   2.660
  419   2HB   ASP  56          2HB       ASP  56  -4.908   8.177   1.721
  420    H    ALA  57           H        ALA  57  -9.295   7.658   2.839
  421    HA   ALA  57           HA       ALA  57  -9.421  10.441   1.964
  422   1HB   ALA  57          3HB       ALA  57 -11.341   8.208   2.405
  423   2HB   ALA  57          1HB       ALA  57 -11.922   9.833   2.840
  424   3HB   ALA  57          2HB       ALA  57 -11.353   9.504   1.186
  425    H    ASP  58           H        ASP  58  -8.619   8.586   4.694
  426    HA   ASP  58           HA       ASP  58  -9.890  10.220   6.622
  427   1HB   ASP  58          1HB       ASP  58  -9.164   8.616   8.070
  428   2HB   ASP  58          2HB       ASP  58  -8.691   7.731   6.633
  429    H    GLY  59           H        GLY  59  -6.718   9.998   4.959
  430   1HA   GLY  59          1HA       GLY  59  -5.127  11.593   4.686
  431   2HA   GLY  59          2HA       GLY  59  -6.051  12.696   5.686
  432    H    ASN  60           H        ASN  60  -5.111   9.379   6.685
  433    HA   ASN  60           HA       ASN  60  -3.953  10.438   9.034
  434   1HB   ASN  60          1HB       ASN  60  -3.509   8.047   9.583
  435   2HB   ASN  60          2HB       ASN  60  -5.152   8.254   9.012
  436   1HD2  ASN  60          2HD2      ASN  60  -3.748   5.271   7.349
  437   2HD2  ASN  60          1HD2      ASN  60  -4.099   5.802   8.960
  438    H    GLY  61           H        GLY  61  -2.896   9.601   5.802
  439   1HA   GLY  61          1HA       GLY  61  -0.783  10.343   5.031
  440   2HA   GLY  61          2HA       GLY  61  -0.089  10.005   6.604
  441    H    THR  62           H        THR  62  -1.609   7.385   6.846
  442    HA   THR  62           HA       THR  62   0.099   5.851   5.003
  443    HB   THR  62           HB       THR  62   0.272   4.226   6.773
  444    HG1  THR  62           HG1      THR  62  -1.821   5.861   8.024
  445   1HG2  THR  62          2HG2      THR  62   1.376   6.544   7.300
  446   2HG2  THR  62          3HG2      THR  62  -0.009   6.795   8.389
  447   3HG2  THR  62          1HG2      THR  62   1.106   5.436   8.667
  448    H    ILE  63           H        ILE  63  -0.973   3.403   4.994
  449    HA   ILE  63           HA       ILE  63  -3.751   3.848   4.154
  450    HB   ILE  63           HB       ILE  63  -1.604   2.266   2.740
  451   1HG1  ILE  63          1HG1      ILE  63  -2.191   4.967   2.578
  452   2HG1  ILE  63          2HG1      ILE  63  -1.315   4.017   1.395
  453   1HG2  ILE  63          2HG2      ILE  63  -4.592   2.373   2.336
  454   2HG2  ILE  63          3HG2      ILE  63  -3.470   1.931   1.027
  455   3HG2  ILE  63          1HG2      ILE  63  -3.536   0.952   2.512
  456   1HD1  ILE  63          1HD1      ILE  63  -4.349   4.096   1.353
  457   2HD1  ILE  63          2HD1      ILE  63  -3.388   5.385   0.589
  458   3HD1  ILE  63          3HD1      ILE  63  -3.228   3.703   0.028
  459    H    ASP  64           H        ASP  64  -5.226   2.193   4.645
  460    HA   ASP  64           HA       ASP  64  -4.122   0.247   6.504
  461   1HB   ASP  64          1HB       ASP  64  -7.005   1.191   6.141
  462   2HB   ASP  64          2HB       ASP  64  -6.454   0.075   7.375
  463    H    PHE  65           H        PHE  65  -6.339  -1.571   6.507
  464    HA   PHE  65           HA       PHE  65  -5.860  -2.928   4.035
  465   1HB   PHE  65          1HB       PHE  65  -6.084  -3.932   6.397
  466   2HB   PHE  65          2HB       PHE  65  -7.775  -3.471   6.383
  467    HD1  PHE  65           HD1      PHE  65  -5.667  -5.036   3.730
  468    HD2  PHE  65           HD2      PHE  65  -9.003  -5.429   6.323
  469    HE1  PHE  65           HE1      PHE  65  -6.253  -7.222   2.644
  470    HE2  PHE  65           HE2      PHE  65  -9.590  -7.615   5.237
  471    HZ   PHE  65           HZ       PHE  65  -8.208  -8.485   3.410
  472    HA   PRO  66           HA       PRO  66 -10.471  -1.883   3.607
  473   1HB   PRO  66          1HB       PRO  66 -11.549   0.081   5.172
  474   2HB   PRO  66          2HB       PRO  66 -11.677  -1.625   5.551
  475   1HG   PRO  66          1HG       PRO  66  -9.950   0.426   6.797
  476   2HG   PRO  66          2HG       PRO  66 -10.407  -1.148   7.417
  477   1HD   PRO  66          1HD       PRO  66  -7.886  -0.427   6.254
  478   2HD   PRO  66          2HD       PRO  66  -8.384  -2.027   6.768
  479    H    GLU  67           H        GLU  67  -7.985   0.358   3.968
  480    HA   GLU  67           HA       GLU  67  -9.328   2.218   2.210
  481   1HB   GLU  67          1HB       GLU  67  -6.522   2.493   3.348
  482   2HB   GLU  67          2HB       GLU  67  -7.565   3.766   2.747
  483   1HG   GLU  67          1HG       GLU  67  -9.024   3.637   4.635
  484   2HG   GLU  67          2HG       GLU  67  -8.445   2.047   5.091
  485    H    PHE  68           H        PHE  68  -6.947  -0.366   2.212
  486    HA   PHE  68           HA       PHE  68  -5.892   0.459  -0.363
  487   1HB   PHE  68          1HB       PHE  68  -4.184  -0.449   1.005
  488   2HB   PHE  68          2HB       PHE  68  -5.300  -1.489   1.868
  489    HD1  PHE  68           HD2      PHE  68  -6.036  -3.635   0.826
  490    HD2  PHE  68           HD1      PHE  68  -2.987  -1.237  -0.896
  491    HE1  PHE  68           HE2      PHE  68  -5.271  -5.592  -0.546
  492    HE2  PHE  68           HE1      PHE  68  -2.222  -3.195  -2.267
  493    HZ   PHE  68           HZ       PHE  68  -3.373  -5.349  -2.076
  494    H    LEU  69           H        LEU  69  -7.980  -2.038   1.149
  495    HA   LEU  69           HA       LEU  69  -8.157  -3.930  -0.733
  496   1HB   LEU  69          1HB       LEU  69 -10.173  -2.658   1.066
  497   2HB   LEU  69          2HB       LEU  69 -10.723  -3.824  -0.121
  498    HG   LEU  69           HG       LEU  69  -8.454  -4.513   1.733
  499   1HD1  LEU  69          3HD1      LEU  69 -11.395  -4.455   2.399
  500   2HD1  LEU  69          1HD1      LEU  69 -10.268  -5.577   3.201
  501   3HD1  LEU  69          2HD1      LEU  69 -10.018  -3.819   3.330
  502   1HD2  LEU  69          3HD2      LEU  69  -9.150  -5.910  -0.301
  503   2HD2  LEU  69          1HD2      LEU  69  -8.984  -6.744   1.263
  504   3HD2  LEU  69          2HD2      LEU  69 -10.600  -6.329   0.642
  505    H    THR  70           H        THR  70  -9.482  -0.604  -0.929
  506    HA   THR  70           HA       THR  70 -11.016  -0.976  -3.238
  507    HB   THR  70           HB       THR  70 -11.252   0.981  -1.776
  508    HG1  THR  70           HG1      THR  70  -9.906   1.690  -4.285
  509   1HG2  THR  70          2HG2      THR  70  -8.534   1.004  -1.484
  510   2HG2  THR  70          3HG2      THR  70  -8.702   2.209  -2.784
  511   3HG2  THR  70          1HG2      THR  70  -9.535   2.454  -1.230
  512    H    MET  71           H        MET  71  -7.570   0.060  -2.847
  513    HA   MET  71           HA       MET  71  -6.962   0.625  -5.376
  514   1HB   MET  71          1HB       MET  71  -5.583  -0.103  -2.992
  515   2HB   MET  71          2HB       MET  71  -4.935  -1.179  -4.214
  516   1HG   MET  71          1HG       MET  71  -5.142   1.483  -5.350
  517   2HG   MET  71          2HG       MET  71  -4.321   1.599  -3.806
  518   1HE   MET  71          2HE       MET  71  -2.453   0.664  -3.095
  519   2HE   MET  71          3HE       MET  71  -2.198  -1.035  -3.558
  520   3HE   MET  71          1HE       MET  71  -1.062   0.218  -4.112
  521    H    MET  72           H        MET  72  -6.979  -2.716  -3.949
  522    HA   MET  72           HA       MET  72  -6.186  -4.012  -6.241
  523   1HB   MET  72          1HB       MET  72  -8.049  -4.916  -3.974
  524   2HB   MET  72          2HB       MET  72  -7.311  -6.015  -5.123
  525   1HG   MET  72          1HG       MET  72  -5.270  -4.266  -3.975
  526   2HG   MET  72          2HG       MET  72  -6.180  -5.041  -2.693
  527   1HE   MET  72          2HE       MET  72  -3.896  -5.009  -5.354
  528   2HE   MET  72          3HE       MET  72  -2.764  -6.046  -4.451
  529   3HE   MET  72          1HE       MET  72  -3.562  -6.664  -5.918
  530    H    ALA  73           H        ALA  73  -9.522  -3.293  -5.009
  531    HA   ALA  73           HA       ALA  73 -10.959  -4.603  -6.944
  532   1HB   ALA  73          3HB       ALA  73 -11.424  -2.817  -4.816
  533   2HB   ALA  73          1HB       ALA  73 -12.145  -2.036  -6.244
  534   3HB   ALA  73          2HB       ALA  73 -12.648  -3.679  -5.779
  535    H    ARG  74           H        ARG  74  -9.499  -1.298  -7.007
  536    HA   ARG  74           HA       ARG  74 -10.575  -0.376  -9.283
  537   1HB   ARG  74          1HB       ARG  74  -8.538   0.420  -7.596
  538   2HB   ARG  74          2HB       ARG  74  -7.625   0.067  -9.050
  539   1HG   ARG  74          1HG       ARG  74  -8.754   1.708 -10.327
  540   2HG   ARG  74          2HG       ARG  74 -10.153   1.717  -9.272
  541   1HD   ARG  74          1HD       ARG  74  -9.058   3.736  -8.701
  542   2HD   ARG  74          2HD       ARG  74  -8.529   2.642  -7.438
  543    HE   ARG  74           HE       ARG  74  -6.571   2.282  -9.316
  544   1HH1  ARG  74          2HH2      ARG  74  -7.990   5.193  -7.939
  545   2HH1  ARG  74          1HH2      ARG  74  -6.551   6.137  -8.126
  546   1HH2  ARG  74          2HH1      ARG  74  -4.671   3.527  -9.563
  547   2HH2  ARG  74          1HH1      ARG  74  -4.650   5.183  -9.057
  548    H    LYS  75           H        LYS  75  -7.978  -2.809  -8.874
  549    HA   LYS  75           HA       LYS  75  -7.943  -3.131 -11.795
  550   1HB   LYS  75          1HB       LYS  75  -5.737  -2.890 -11.713
  551   2HB   LYS  75          2HB       LYS  75  -5.797  -2.656  -9.978
  552   1HG   LYS  75          1HG       LYS  75  -5.887  -5.211  -9.738
  553   2HG   LYS  75          2HG       LYS  75  -5.569  -5.315 -11.458
  554   1HD   LYS  75          1HD       LYS  75  -3.541  -3.666 -10.848
  555   2HD   LYS  75          2HD       LYS  75  -3.754  -4.345  -9.247
  556   1HE   LYS  75          1HE       LYS  75  -3.602  -6.668 -10.287
  557   2HE   LYS  75          2HE       LYS  75  -3.215  -5.906 -11.817
  558   1HZ   LYS  75          3HZ       LYS  75  -1.349  -4.819 -10.655
  559   2HZ   LYS  75          1HZ       LYS  75  -1.668  -5.719  -9.330
  560   3HZ   LYS  75          2HZ       LYS  75  -1.216  -6.445 -10.721
   
  No H/Q in entry =         560
  Start of MODEL    4
    1    H    MET   0           H        MET   0 -24.756 -22.672  -0.976
    2    HA   MET   0           HA       MET   0 -26.570 -24.807  -0.969
    3   1HB   MET   0          1HB       MET   0 -26.250 -23.172   1.507
    4   2HB   MET   0          2HB       MET   0 -27.906 -23.247   0.939
    5   1HG   MET   0          1HG       MET   0 -27.877 -25.703   0.976
    6   2HG   MET   0          2HG       MET   0 -26.160 -25.724   1.328
    7   1HE   MET   0          2HE       MET   0 -27.004 -27.405   3.191
    8   2HE   MET   0          3HE       MET   0 -25.576 -26.473   3.701
    9   3HE   MET   0          1HE       MET   0 -26.916 -26.743   4.841
   10    H    ALA   1           H        ALA   1 -25.981 -21.269  -0.733
   11    HA   ALA   1           HA       ALA   1 -28.207 -20.896  -2.620
   12   1HB   ALA   1          1HB       ALA   1 -27.182 -19.137  -0.362
   13   2HB   ALA   1          2HB       ALA   1 -28.298 -18.561  -1.624
   14   3HB   ALA   1          3HB       ALA   1 -28.795 -19.872  -0.527
   15    H    ASP   2           H        ASP   2 -26.020 -18.289  -1.721
   16    HA   ASP   2           HA       ASP   2 -23.939 -18.678  -3.389
   17   1HB   ASP   2          1HB       ASP   2 -25.302 -18.815  -5.347
   18   2HB   ASP   2          2HB       ASP   2 -26.367 -17.534  -4.805
   19    H    GLN   3           H        GLN   3 -22.697 -17.244  -2.157
   20    HA   GLN   3           HA       GLN   3 -22.905 -14.548  -2.441
   21   1HB   GLN   3          1HB       GLN   3 -24.980 -15.336  -0.785
   22   2HB   GLN   3          2HB       GLN   3 -23.738 -14.928   0.382
   23   1HG   GLN   3          1HG       GLN   3 -23.562 -12.827  -1.457
   24   2HG   GLN   3          2HG       GLN   3 -25.283 -13.155  -1.415
   25   1HE2  GLN   3          1HE2      GLN   3 -25.475 -11.062  -0.463
   26   2HE2  GLN   3          2HE2      GLN   3 -25.232 -10.825   1.236
   27    H    LEU   4           H        LEU   4 -20.875 -13.797  -1.957
   28    HA   LEU   4           HA       LEU   4 -19.169 -15.562  -0.417
   29   1HB   LEU   4          1HB       LEU   4 -17.398 -13.953  -1.206
   30   2HB   LEU   4          2HB       LEU   4 -18.206 -14.914  -2.429
   31    HG   LEU   4           HG       LEU   4 -19.464 -12.293  -1.986
   32   1HD1  LEU   4          3HD1      LEU   4 -16.545 -12.473  -2.418
   33   2HD1  LEU   4          1HD1      LEU   4 -17.424 -11.393  -3.527
   34   3HD1  LEU   4          2HD1      LEU   4 -17.539 -11.147  -1.768
   35   1HD2  LEU   4          1HD2      LEU   4 -18.885 -14.174  -4.174
   36   2HD2  LEU   4          2HD2      LEU   4 -20.280 -13.100  -3.911
   37   3HD2  LEU   4          3HD2      LEU   4 -18.783 -12.455  -4.627
   38    H    THR   5           H        THR   5 -17.439 -14.202   0.981
   39    HA   THR   5           HA       THR   5 -18.638 -11.983   2.372
   40    HB   THR   5           HB       THR   5 -19.244 -13.080   4.331
   41    HG1  THR   5           HG1      THR   5 -17.302 -15.129   3.527
   42   1HG2  THR   5          3HG2      THR   5 -19.157 -15.442   2.378
   43   2HG2  THR   5          1HG2      THR   5 -20.000 -15.449   3.947
   44   3HG2  THR   5          2HG2      THR   5 -20.549 -14.365   2.646
   45    H    GLU   6           H        GLU   6 -17.021 -12.111   4.695
   46    HA   GLU   6           HA       GLU   6 -14.795 -10.875   3.845
   47   1HB   GLU   6          1HB       GLU   6 -15.110 -12.585   6.352
   48   2HB   GLU   6          2HB       GLU   6 -13.835 -11.408   6.108
   49   1HG   GLU   6          1HG       GLU   6 -15.617  -9.629   5.776
   50   2HG   GLU   6          2HG       GLU   6 -16.833 -10.826   6.174
   51    H    GLU   7           H        GLU   7 -15.417 -14.366   4.023
   52    HA   GLU   7           HA       GLU   7 -13.026 -15.484   4.146
   53   1HB   GLU   7          1HB       GLU   7 -15.320 -16.110   2.252
   54   2HB   GLU   7          2HB       GLU   7 -13.915 -17.151   2.375
   55   1HG   GLU   7          1HG       GLU   7 -14.632 -16.692   5.058
   56   2HG   GLU   7          2HG       GLU   7 -16.175 -16.835   4.241
   57    H    GLN   8           H        GLN   8 -14.338 -13.658   1.345
   58    HA   GLN   8           HA       GLN   8 -12.232 -14.340  -0.373
   59   1HB   GLN   8          1HB       GLN   8 -14.673 -12.872  -0.507
   60   2HB   GLN   8          2HB       GLN   8 -13.416 -11.764  -1.018
   61   1HG   GLN   8          1HG       GLN   8 -14.381 -13.127  -2.910
   62   2HG   GLN   8          2HG       GLN   8 -12.645 -13.298  -2.744
   63   1HE2  GLN   8          2HE2      GLN   8 -15.068 -16.363  -1.324
   64   2HE2  GLN   8          1HE2      GLN   8 -15.509 -14.698  -1.144
   65    H    ILE   9           H        ILE   9 -12.885 -11.547   1.822
   66    HA   ILE   9           HA       ILE   9 -10.744  -9.969   1.070
   67    HB   ILE   9           HB       ILE   9 -12.803  -9.776   2.811
   68   1HG1  ILE   9          1HG1      ILE   9 -11.278  -7.674   3.613
   69   2HG1  ILE   9          2HG1      ILE   9 -10.417  -8.140   2.159
   70   1HG2  ILE   9          2HG2      ILE   9 -11.495 -11.169   4.463
   71   2HG2  ILE   9          3HG2      ILE   9 -10.361  -9.804   4.594
   72   3HG2  ILE   9          1HG2      ILE   9 -12.067  -9.592   5.057
   73   1HD1  ILE   9          1HD1      ILE   9 -13.422  -8.003   2.011
   74   2HD1  ILE   9          2HD1      ILE   9 -12.511  -6.474   2.061
   75   3HD1  ILE   9          3HD1      ILE   9 -12.209  -7.648   0.757
   76    H    ALA  10           H        ALA  10 -10.943 -12.708   3.406
   77    HA   ALA  10           HA       ALA  10  -8.562 -12.559   4.646
   78   1HB   ALA  10          3HB       ALA  10 -10.543 -14.415   4.411
   79   2HB   ALA  10          1HB       ALA  10  -9.227 -15.241   3.543
   80   3HB   ALA  10          2HB       ALA  10  -8.993 -14.722   5.230
   81    H    GLU  11           H        GLU  11  -9.180 -13.458   1.232
   82    HA   GLU  11           HA       GLU  11  -6.562 -14.347   0.766
   83   1HB   GLU  11          1HB       GLU  11  -8.676 -13.326  -1.182
   84   2HB   GLU  11          2HB       GLU  11  -7.217 -14.179  -1.646
   85   1HG   GLU  11          1HG       GLU  11  -7.931 -16.162  -0.324
   86   2HG   GLU  11          2HG       GLU  11  -9.366 -15.310   0.210
   87    H    PHE  12           H        PHE  12  -8.264 -11.194   0.402
   88    HA   PHE  12           HA       PHE  12  -6.202  -9.883  -0.952
   89   1HB   PHE  12          1HB       PHE  12  -8.502  -9.102   0.916
   90   2HB   PHE  12          2HB       PHE  12  -7.462  -7.865   0.237
   91    HD1  PHE  12           HD2      PHE  12  -9.805 -10.588  -0.669
   92    HD2  PHE  12           HD1      PHE  12  -7.795  -7.081  -1.960
   93    HE1  PHE  12           HE2      PHE  12 -11.213 -10.546  -2.746
   94    HE2  PHE  12           HE1      PHE  12  -9.203  -7.039  -4.037
   95    HZ   PHE  12           HZ       PHE  12 -10.895  -8.772  -4.406
   96    H    LYS  13           H        LYS  13  -6.814 -10.531   2.514
   97    HA   LYS  13           HA       LYS  13  -5.309  -8.712   3.776
   98   1HB   LYS  13          1HB       LYS  13  -5.734 -11.650   4.242
   99   2HB   LYS  13          2HB       LYS  13  -4.644 -10.760   5.285
  100   1HG   LYS  13          1HG       LYS  13  -6.798  -9.033   5.198
  101   2HG   LYS  13          2HG       LYS  13  -7.611 -10.578   5.047
  102   1HD   LYS  13          1HD       LYS  13  -5.471 -10.311   7.158
  103   2HD   LYS  13          2HD       LYS  13  -7.012  -9.530   7.450
  104   1HE   LYS  13          1HE       LYS  13  -7.530 -11.609   8.324
  105   2HE   LYS  13          2HE       LYS  13  -7.965 -11.929   6.657
  106   1HZ   LYS  13          3HZ       LYS  13  -5.473 -12.557   6.499
  107   2HZ   LYS  13          1HZ       LYS  13  -5.604 -12.778   8.112
  108   3HZ   LYS  13          2HZ       LYS  13  -6.554 -13.628   7.091
  109    H    GLU  14           H        GLU  14  -3.950 -11.825   2.470
  110    HA   GLU  14           HA       GLU  14  -1.355 -11.305   2.986
  111   1HB   GLU  14          1HB       GLU  14  -2.570 -12.731   0.581
  112   2HB   GLU  14          2HB       GLU  14  -0.870 -12.811   0.998
  113   1HG   GLU  14          1HG       GLU  14  -1.874 -13.487   3.412
  114   2HG   GLU  14          2HG       GLU  14  -3.239 -13.992   2.436
  115    H    ALA  15           H        ALA  15  -3.352 -10.139   0.230
  116    HA   ALA  15           HA       ALA  15  -1.360  -9.107  -1.362
  117   1HB   ALA  15          2HB       ALA  15  -4.000  -9.286  -1.574
  118   2HB   ALA  15          3HB       ALA  15  -3.941  -7.612  -0.972
  119   3HB   ALA  15          1HB       ALA  15  -3.096  -8.046  -2.477
  120    H    PHE  16           H        PHE  16  -3.228  -7.424   1.268
  121    HA   PHE  16           HA       PHE  16  -1.906  -5.026   1.137
  122   1HB   PHE  16          1HB       PHE  16  -3.964  -5.765   2.507
  123   2HB   PHE  16          2HB       PHE  16  -2.874  -6.577   3.613
  124    HD1  PHE  16           HD2      PHE  16  -3.582  -3.216   2.175
  125    HD2  PHE  16           HD1      PHE  16  -2.021  -5.425   5.444
  126    HE1  PHE  16           HE2      PHE  16  -3.339  -1.093   3.493
  127    HE2  PHE  16           HE1      PHE  16  -1.779  -3.303   6.763
  128    HZ   PHE  16           HZ       PHE  16  -2.441  -1.163   5.772
  129    H    SER  17           H        SER  17  -0.887  -8.119   2.592
  130    HA   SER  17           HA       SER  17   1.069  -7.134   4.258
  131   1HB   SER  17          1HB       SER  17   0.086  -9.622   3.610
  132   2HB   SER  17          2HB       SER  17   1.670  -9.699   2.864
  133    HG   SER  17           HG       SER  17   2.233  -8.668   5.193
  134    H    LEU  18           H        LEU  18   1.267  -8.285   0.816
  135    HA   LEU  18           HA       LEU  18   3.872  -8.114   0.292
  136   1HB   LEU  18          1HB       LEU  18   1.411  -7.794  -1.196
  137   2HB   LEU  18          2HB       LEU  18   2.678  -6.789  -1.870
  138    HG   LEU  18           HG       LEU  18   4.025  -9.140  -1.551
  139   1HD1  LEU  18          2HD1      LEU  18   1.465  -9.938  -1.007
  140   2HD1  LEU  18          3HD1      LEU  18   1.592 -10.273  -2.751
  141   3HD1  LEU  18          1HD1      LEU  18   2.765 -10.989  -1.619
  142   1HD2  LEU  18          2HD2      LEU  18   2.561  -7.875  -3.832
  143   2HD2  LEU  18          3HD2      LEU  18   4.307  -8.110  -3.577
  144   3HD2  LEU  18          1HD2      LEU  18   3.285  -9.485  -4.059
  145    H    PHE  19           H        PHE  19   1.632  -5.253   0.269
  146    HA   PHE  19           HA       PHE  19   3.793  -3.444  -0.070
  147   1HB   PHE  19          1HB       PHE  19   0.834  -3.304   0.728
  148   2HB   PHE  19          2HB       PHE  19   1.806  -1.848   0.644
  149    HD1  PHE  19           HD2      PHE  19   0.436  -4.636  -1.347
  150    HD2  PHE  19           HD1      PHE  19   2.338  -0.844  -1.446
  151    HE1  PHE  19           HE2      PHE  19  -0.029  -4.466  -3.808
  152    HE2  PHE  19           HE1      PHE  19   1.873  -0.675  -3.907
  153    HZ   PHE  19           HZ       PHE  19   0.695  -2.488  -5.058
  154    H    ASP  20           H        ASP  20   1.731  -4.494   2.712
  155    HA   ASP  20           HA       ASP  20   3.147  -2.747   4.462
  156   1HB   ASP  20          1HB       ASP  20   0.810  -3.155   4.938
  157   2HB   ASP  20          2HB       ASP  20   1.021  -4.892   4.843
  158    H    LYS  21           H        LYS  21   5.363  -3.615   4.210
  159    HA   LYS  21           HA       LYS  21   5.878  -6.368   4.694
  160   1HB   LYS  21          1HB       LYS  21   8.275  -5.557   4.723
  161   2HB   LYS  21          2HB       LYS  21   7.373  -5.252   3.252
  162   1HG   LYS  21          1HG       LYS  21   7.466  -2.979   3.516
  163   2HG   LYS  21          2HG       LYS  21   7.103  -3.066   5.229
  164   1HD   LYS  21          1HD       LYS  21   9.829  -3.910   4.180
  165   2HD   LYS  21          2HD       LYS  21   9.474  -2.221   4.485
  166   1HE   LYS  21          1HE       LYS  21   8.906  -2.734   6.846
  167   2HE   LYS  21          2HE       LYS  21   9.150  -4.445   6.557
  168   1HZ   LYS  21          3HZ       LYS  21  11.457  -3.717   5.812
  169   2HZ   LYS  21          1HZ       LYS  21  11.148  -2.320   6.601
  170   3HZ   LYS  21          2HZ       LYS  21  11.141  -3.736   7.414
  171    H    ASP  22           H        ASP  22   5.367  -3.522   6.671
  172    HA   ASP  22           HA       ASP  22   6.844  -4.443   8.879
  173   1HB   ASP  22          1HB       ASP  22   4.446  -2.569   8.976
  174   2HB   ASP  22          2HB       ASP  22   5.809  -2.611  10.076
  175    H    GLY  23           H        GLY  23   3.621  -4.988   7.520
  176   1HA   GLY  23          1HA       GLY  23   1.948  -6.373   8.098
  177   2HA   GLY  23          2HA       GLY  23   3.056  -7.176   9.193
  178    H    ASP  24           H        ASP  24   2.917  -3.792   9.822
  179    HA   ASP  24           HA       ASP  24   1.882  -4.177  12.349
  180   1HB   ASP  24          1HB       ASP  24   1.672  -1.649  12.358
  181   2HB   ASP  24          2HB       ASP  24   3.252  -2.243  11.885
  182    H    GLY  25           H        GLY  25   0.426  -3.318   9.188
  183   1HA   GLY  25          1HA       GLY  25  -1.916  -4.102   8.990
  184   2HA   GLY  25          2HA       GLY  25  -2.240  -3.223  10.470
  185    H    THR  26           H        THR  26   0.134  -1.470   8.841
  186    HA   THR  26           HA       THR  26  -1.802   0.005   7.207
  187    HB   THR  26           HB       THR  26  -1.114   2.109   8.260
  188    HG1  THR  26           HG1      THR  26   1.118   1.366   8.639
  189   1HG2  THR  26          2HG2      THR  26  -1.487   0.031  10.480
  190   2HG2  THR  26          3HG2      THR  26  -1.768   1.783  10.621
  191   3HG2  THR  26          1HG2      THR  26  -2.824   0.792   9.585
  192    H    ILE  27           H        ILE  27  -0.975   0.970   5.364
  193    HA   ILE  27           HA       ILE  27   1.812   0.223   4.823
  194    HB   ILE  27           HB       ILE  27  -0.552   0.557   2.977
  195   1HG1  ILE  27          1HG1      ILE  27   1.113  -1.893   3.621
  196   2HG1  ILE  27          2HG1      ILE  27  -0.449  -1.540   4.331
  197   1HG2  ILE  27          3HG2      ILE  27   1.763   1.384   2.150
  198   2HG2  ILE  27          1HG2      ILE  27   2.173  -0.347   2.087
  199   3HG2  ILE  27          2HG2      ILE  27   0.814   0.281   1.125
  200   1HD1  ILE  27          3HD1      ILE  27  -0.054  -1.644   1.314
  201   2HD1  ILE  27          1HD1      ILE  27  -0.443  -3.092   2.273
  202   3HD1  ILE  27          2HD1      ILE  27  -1.581  -1.725   2.225
  203    H    THR  28           H        THR  28   3.158   1.917   5.124
  204    HA   THR  28           HA       THR  28   2.152   4.608   4.866
  205    HB   THR  28           HB       THR  28   3.711   3.949   6.688
  206    HG1  THR  28           HG1      THR  28   3.995   6.101   5.995
  207   1HG2  THR  28          2HG2      THR  28   5.053   2.486   4.673
  208   2HG2  THR  28          3HG2      THR  28   6.112   3.881   4.988
  209   3HG2  THR  28          1HG2      THR  28   5.654   2.793   6.320
  210    H    THR  29           H        THR  29   4.794   5.626   3.887
  211    HA   THR  29           HA       THR  29   4.133   5.376   1.061
  212    HB   THR  29           HB       THR  29   5.929   7.307   1.056
  213    HG1  THR  29           HG1      THR  29   6.725   7.588   3.099
  214   1HG2  THR  29          2HG2      THR  29   3.124   7.311   1.660
  215   2HG2  THR  29          3HG2      THR  29   3.900   8.407   2.829
  216   3HG2  THR  29          1HG2      THR  29   4.104   8.680   1.082
  217    H    LYS  30           H        LYS  30   6.950   4.932   3.282
  218    HA   LYS  30           HA       LYS  30   8.685   4.074   1.258
  219   1HB   LYS  30          1HB       LYS  30   9.096   4.865   3.731
  220   2HB   LYS  30          2HB       LYS  30   8.929   3.163   4.112
  221   1HG   LYS  30          1HG       LYS  30  10.698   2.621   2.412
  222   2HG   LYS  30          2HG       LYS  30  10.877   4.329   2.066
  223   1HD   LYS  30          1HD       LYS  30  12.125   4.703   3.945
  224   2HD   LYS  30          2HD       LYS  30  11.055   3.752   4.957
  225   1HE   LYS  30          1HE       LYS  30  12.937   2.399   2.987
  226   2HE   LYS  30          2HE       LYS  30  13.502   2.892   4.571
  227   1HZ   LYS  30          2HZ       LYS  30  11.189   1.626   5.099
  228   2HZ   LYS  30          3HZ       LYS  30  11.795   0.736   3.871
  229   3HZ   LYS  30          1HZ       LYS  30  12.676   0.964   5.227
  230    H    GLU  31           H        GLU  31   6.056   2.509   3.012
  231    HA   GLU  31           HA       GLU  31   6.976  -0.100   2.271
  232   1HB   GLU  31          1HB       GLU  31   4.405   0.847   3.611
  233   2HB   GLU  31          2HB       GLU  31   4.816  -0.837   3.353
  234   1HG   GLU  31          1HG       GLU  31   6.542  -0.813   4.937
  235   2HG   GLU  31          2HG       GLU  31   6.864   0.896   4.725
  236    H    LEU  32           H        LEU  32   5.140   2.479   0.875
  237    HA   LEU  32           HA       LEU  32   3.598   0.704  -0.823
  238   1HB   LEU  32          1HB       LEU  32   2.755   2.855   0.269
  239   2HB   LEU  32          2HB       LEU  32   3.711   3.711  -0.924
  240    HG   LEU  32           HG       LEU  32   2.292   1.983  -2.514
  241   1HD1  LEU  32          2HD1      LEU  32   0.874   2.182   0.024
  242   2HD1  LEU  32          3HD1      LEU  32  -0.106   2.747  -1.350
  243   3HD1  LEU  32          1HD1      LEU  32   0.594   1.110  -1.369
  244   1HD2  LEU  32          1HD2      LEU  32   2.237   4.829  -1.831
  245   2HD2  LEU  32          2HD2      LEU  32   2.180   4.022  -3.416
  246   3HD2  LEU  32          3HD2      LEU  32   0.689   4.222  -2.465
  247    H    GLY  33           H        GLY  33   6.454   2.852  -0.884
  248   1HA   GLY  33          1HA       GLY  33   6.766   2.610  -3.750
  249   2HA   GLY  33          2HA       GLY  33   7.826   3.426  -2.617
  250    H    THR  34           H        THR  34   7.422   0.635  -1.002
  251    HA   THR  34           HA       THR  34   9.935  -0.410  -1.821
  252    HB   THR  34           HB       THR  34   7.867  -0.833   0.279
  253    HG1  THR  34           HG1      THR  34   9.788  -0.031   1.062
  254   1HG2  THR  34          2HG2      THR  34   9.621  -3.107  -0.771
  255   2HG2  THR  34          3HG2      THR  34   9.033  -3.045   0.908
  256   3HG2  THR  34          1HG2      THR  34   7.873  -3.155  -0.438
  257    H    VAL  35           H        VAL  35   6.594  -1.830  -1.946
  258    HA   VAL  35           HA       VAL  35   7.306  -4.053  -3.410
  259    HB   VAL  35           HB       VAL  35   4.818  -2.489  -2.922
  260   1HG1  VAL  35          1HG1      VAL  35   5.063  -4.664  -5.023
  261   2HG1  VAL  35          2HG1      VAL  35   3.521  -4.128  -4.313
  262   3HG1  VAL  35          3HG1      VAL  35   4.512  -2.987  -5.254
  263   1HG2  VAL  35          3HG2      VAL  35   5.770  -4.229  -1.353
  264   2HG2  VAL  35          1HG2      VAL  35   4.081  -4.492  -1.851
  265   3HG2  VAL  35          2HG2      VAL  35   5.386  -5.449  -2.592
  266    H    MET  36           H        MET  36   6.926  -0.674  -4.378
  267    HA   MET  36           HA       MET  36   6.623  -1.243  -7.123
  268   1HB   MET  36          1HB       MET  36   7.554   1.267  -5.619
  269   2HB   MET  36          2HB       MET  36   7.153   1.247  -7.325
  270   1HG   MET  36          1HG       MET  36   4.970   0.017  -5.872
  271   2HG   MET  36          2HG       MET  36   5.364   1.533  -5.086
  272   1HE   MET  36          3HE       MET  36   2.959   0.489  -6.371
  273   2HE   MET  36          1HE       MET  36   2.270   1.956  -7.108
  274   3HE   MET  36          2HE       MET  36   2.793   0.603  -8.140
  275    H    ARG  37           H        ARG  37   9.393  -0.485  -4.951
  276    HA   ARG  37           HA       ARG  37  11.266  -0.067  -6.905
  277   1HB   ARG  37          1HB       ARG  37  11.297  -0.903  -4.021
  278   2HB   ARG  37          2HB       ARG  37  12.772  -1.208  -4.917
  279   1HG   ARG  37          1HG       ARG  37  13.335   0.990  -4.870
  280   2HG   ARG  37          2HG       ARG  37  11.796   1.453  -5.568
  281   1HD   ARG  37          1HD       ARG  37  11.129   0.749  -2.924
  282   2HD   ARG  37          2HD       ARG  37  12.675   1.557  -2.754
  283    HE   ARG  37           HE       ARG  37  10.150   2.775  -3.620
  284   1HH1  ARG  37          2HH2      ARG  37  13.656   3.082  -3.607
  285   2HH1  ARG  37          1HH2      ARG  37  13.634   4.798  -3.844
  286   1HH2  ARG  37          2HH1      ARG  37  10.121   5.038  -3.932
  287   2HH2  ARG  37          1HH1      ARG  37  11.610   5.918  -4.030
  288    H    SER  38           H        SER  38   9.599  -2.973  -5.955
  289    HA   SER  38           HA       SER  38  11.613  -4.561  -7.344
  290   1HB   SER  38          1HB       SER  38   9.500  -5.494  -5.350
  291   2HB   SER  38          2HB       SER  38  10.702  -6.516  -6.114
  292    HG   SER  38           HG       SER  38  12.214  -5.825  -4.744
  293    H    LEU  39           H        LEU  39   9.787  -2.992  -8.841
  294    HA   LEU  39           HA       LEU  39   8.419  -5.084 -10.258
  295   1HB   LEU  39          1HB       LEU  39   6.910  -4.151  -8.337
  296   2HB   LEU  39          2HB       LEU  39   6.709  -2.778  -9.406
  297    HG   LEU  39           HG       LEU  39   6.279  -5.360 -10.743
  298   1HD1  LEU  39          1HD1      LEU  39   4.543  -4.576  -8.392
  299   2HD1  LEU  39          2HD1      LEU  39   4.015  -5.677  -9.688
  300   3HD1  LEU  39          3HD1      LEU  39   5.404  -6.111  -8.663
  301   1HD2  LEU  39          1HD2      LEU  39   4.816  -2.726 -10.542
  302   2HD2  LEU  39          2HD2      LEU  39   5.700  -3.409 -11.927
  303   3HD2  LEU  39          3HD2      LEU  39   4.155  -4.129 -11.415
  304    H    GLY  40           H        GLY  40  10.684  -3.088 -10.504
  305   1HA   GLY  40          1HA       GLY  40  11.558  -1.962 -12.258
  306   2HA   GLY  40          2HA       GLY  40  10.093  -2.259 -13.172
  307    H    GLN  41           H        GLN  41   9.248  -0.959 -10.134
  308    HA   GLN  41           HA       GLN  41   9.054   1.677 -11.363
  309   1HB   GLN  41          1HB       GLN  41   7.324   0.289  -9.277
  310   2HB   GLN  41          2HB       GLN  41   7.188   2.002  -9.620
  311   1HG   GLN  41          1HG       GLN  41   7.133   0.899 -12.176
  312   2HG   GLN  41          2HG       GLN  41   6.298  -0.323 -11.238
  313   1HE2  GLN  41          2HE2      GLN  41   3.452   1.584 -10.459
  314   2HE2  GLN  41          1HE2      GLN  41   4.431   0.211 -10.063
  315    H    ASN  42           H        ASN  42   8.813   3.461  -9.451
  316    HA   ASN  42           HA       ASN  42  10.070   3.039  -7.060
  317   1HB   ASN  42          1HB       ASN  42  12.121   2.601  -8.449
  318   2HB   ASN  42          2HB       ASN  42  11.951   4.177  -9.196
  319   1HD2  ASN  42          2HD2      ASN  42  14.446   4.280  -6.395
  320   2HD2  ASN  42          1HD2      ASN  42  14.215   3.306  -7.809
  321    HA   PRO  43           HA       PRO  43   8.184   7.109  -8.116
  322   1HB   PRO  43          1HB       PRO  43   5.924   6.929  -6.591
  323   2HB   PRO  43          2HB       PRO  43   5.965   6.521  -8.294
  324   1HG   PRO  43          1HG       PRO  43   5.865   4.714  -5.957
  325   2HG   PRO  43          2HG       PRO  43   5.483   4.365  -7.632
  326   1HD   PRO  43          1HD       PRO  43   7.871   3.624  -6.226
  327   2HD   PRO  43          2HD       PRO  43   7.538   3.378  -7.929
  328    H    THR  44           H        THR  44   8.563   9.025  -7.098
  329    HA   THR  44           HA       THR  44  10.046   8.824  -4.707
  330    HB   THR  44           HB       THR  44   9.907  11.352  -4.869
  331    HG1  THR  44           HG1      THR  44   8.531  12.115  -6.608
  332   1HG2  THR  44          2HG2      THR  44  10.430   9.753  -7.419
  333   2HG2  THR  44          3HG2      THR  44  10.672  11.515  -7.342
  334   3HG2  THR  44          1HG2      THR  44  11.631  10.438  -6.297
  335    H    GLU  45           H        GLU  45   9.525  10.071  -2.672
  336    HA   GLU  45           HA       GLU  45   7.292   8.940  -1.534
  337   1HB   GLU  45          1HB       GLU  45   8.951  11.345  -0.664
  338   2HB   GLU  45          2HB       GLU  45   7.753  10.574   0.357
  339   1HG   GLU  45          1HG       GLU  45   9.047   8.679   0.699
  340   2HG   GLU  45          2HG       GLU  45   9.762   8.742  -0.899
  341    H    ALA  46           H        ALA  46   7.644  11.800  -3.510
  342    HA   ALA  46           HA       ALA  46   5.360  13.174  -2.512
  343   1HB   ALA  46          1HB       ALA  46   7.430  13.495  -4.575
  344   2HB   ALA  46          2HB       ALA  46   5.830  14.072  -5.100
  345   3HB   ALA  46          3HB       ALA  46   6.571  14.727  -3.620
  346    H    GLU  47           H        GLU  47   6.057  10.979  -5.302
  347    HA   GLU  47           HA       GLU  47   3.554  11.166  -6.440
  348   1HB   GLU  47          1HB       GLU  47   5.440  10.190  -7.634
  349   2HB   GLU  47          2HB       GLU  47   5.601   8.909  -6.449
  350   1HG   GLU  47          1HG       GLU  47   4.176   7.644  -7.675
  351   2HG   GLU  47          2HG       GLU  47   2.895   8.783  -7.311
  352    H    LEU  48           H        LEU  48   4.867   8.519  -4.305
  353    HA   LEU  48           HA       LEU  48   2.639   7.029  -4.022
  354   1HB   LEU  48          1HB       LEU  48   4.601   7.740  -1.837
  355   2HB   LEU  48          2HB       LEU  48   3.526   6.357  -1.845
  356    HG   LEU  48           HG       LEU  48   5.477   6.700  -4.100
  357   1HD1  LEU  48          3HD1      LEU  48   6.173   5.615  -1.357
  358   2HD1  LEU  48          1HD1      LEU  48   7.173   5.440  -2.820
  359   3HD1  LEU  48          2HD1      LEU  48   6.858   7.057  -2.146
  360   1HD2  LEU  48          1HD2      LEU  48   4.136   4.355  -2.743
  361   2HD2  LEU  48          2HD2      LEU  48   3.931   4.935  -4.413
  362   3HD2  LEU  48          3HD2      LEU  48   5.463   4.176  -3.917
  363    H    GLN  49           H        GLN  49   3.524   9.821  -1.865
  364    HA   GLN  49           HA       GLN  49   1.380   9.850  -0.291
  365   1HB   GLN  49          1HB       GLN  49   3.458  11.567  -0.773
  366   2HB   GLN  49          2HB       GLN  49   2.122  12.536  -1.363
  367   1HG   GLN  49          1HG       GLN  49   1.996  13.143   0.862
  368   2HG   GLN  49          2HG       GLN  49   0.987  11.712   0.945
  369   1HE2  GLN  49          2HE2      GLN  49   2.941  10.404   3.478
  370   2HE2  GLN  49          1HE2      GLN  49   1.390  10.848   2.848
  371    H    ASP  50           H        ASP  50   1.564  11.137  -3.657
  372    HA   ASP  50           HA       ASP  50  -0.969  12.265  -3.649
  373   1HB   ASP  50          1HB       ASP  50   1.169  11.721  -5.541
  374   2HB   ASP  50          2HB       ASP  50  -0.362  11.298  -6.282
  375    H    MET  51           H        MET  51   0.326   8.987  -4.358
  376    HA   MET  51           HA       MET  51  -2.090   8.024  -5.453
  377   1HB   MET  51          1HB       MET  51   0.244   6.474  -4.201
  378   2HB   MET  51          2HB       MET  51  -0.922   5.830  -5.340
  379   1HG   MET  51          1HG       MET  51  -0.066   7.161  -7.149
  380   2HG   MET  51          2HG       MET  51   0.801   8.232  -6.066
  381   1HE   MET  51          2HE       MET  51   0.300   5.029  -7.650
  382   2HE   MET  51          3HE       MET  51   1.811   5.282  -8.555
  383   3HE   MET  51          1HE       MET  51   1.714   3.997  -7.328
  384    H    ILE  52           H        ILE  52  -0.434   7.685  -2.243
  385    HA   ILE  52           HA       ILE  52  -2.213   5.970  -1.055
  386    HB   ILE  52           HB       ILE  52  -0.390   8.124  -0.064
  387   1HG1  ILE  52          1HG1      ILE  52  -0.420   5.146  -0.232
  388   2HG1  ILE  52          2HG1      ILE  52   0.877   6.280  -0.553
  389   1HG2  ILE  52          3HG2      ILE  52  -2.273   6.500   1.669
  390   2HG2  ILE  52          1HG2      ILE  52  -0.893   7.456   2.262
  391   3HG2  ILE  52          2HG2      ILE  52  -2.261   8.268   1.463
  392   1HD1  ILE  52          2HD1      ILE  52   0.943   6.770   1.961
  393   2HD1  ILE  52          3HD1      ILE  52  -0.168   5.395   2.169
  394   3HD1  ILE  52          1HD1      ILE  52   1.455   5.132   1.486
  395    H    ASN  53           H        ASN  53  -2.454   9.501  -1.625
  396    HA   ASN  53           HA       ASN  53  -4.616   9.949   0.023
  397   1HB   ASN  53          1HB       ASN  53  -3.507  11.277  -2.468
  398   2HB   ASN  53          2HB       ASN  53  -5.057  11.820  -1.856
  399   1HD2  ASN  53          2HD2      ASN  53  -2.058  13.685  -0.400
  400   2HD2  ASN  53          1HD2      ASN  53  -2.457  13.164  -2.003
  401    H    GLU  54           H        GLU  54  -4.270   8.311  -3.066
  402    HA   GLU  54           HA       GLU  54  -6.959   8.696  -3.887
  403   1HB   GLU  54          1HB       GLU  54  -4.892   6.672  -4.856
  404   2HB   GLU  54          2HB       GLU  54  -6.383   7.083  -5.679
  405   1HG   GLU  54          1HG       GLU  54  -5.464   9.565  -5.562
  406   2HG   GLU  54          2HG       GLU  54  -3.914   8.798  -5.278
  407    H    VAL  55           H        VAL  55  -5.195   6.467  -1.812
  408    HA   VAL  55           HA       VAL  55  -7.630   4.832  -1.612
  409    HB   VAL  55           HB       VAL  55  -5.684   3.220  -0.651
  410   1HG1  VAL  55          1HG1      VAL  55  -7.288   3.433  -3.048
  411   2HG1  VAL  55          2HG1      VAL  55  -5.712   2.692  -3.420
  412   3HG1  VAL  55          3HG1      VAL  55  -6.756   1.981  -2.166
  413   1HG2  VAL  55          1HG2      VAL  55  -3.988   5.003  -1.365
  414   2HG2  VAL  55          2HG2      VAL  55  -3.684   3.333  -1.902
  415   3HG2  VAL  55          3HG2      VAL  55  -4.361   4.525  -3.038
  416    H    ASP  56           H        ASP  56  -7.042   7.373  -0.245
  417    HA   ASP  56           HA       ASP  56  -7.423   6.378   2.397
  418   1HB   ASP  56          1HB       ASP  56  -5.006   6.516   2.464
  419   2HB   ASP  56          2HB       ASP  56  -5.003   8.061   1.637
  420    H    ALA  57           H        ALA  57  -9.287   7.563   2.863
  421    HA   ALA  57           HA       ALA  57  -9.437  10.302   1.842
  422   1HB   ALA  57          2HB       ALA  57 -11.536   8.339   2.844
  423   2HB   ALA  57          3HB       ALA  57 -11.882  10.018   2.367
  424   3HB   ALA  57          1HB       ALA  57 -11.265   8.860   1.163
  425    H    ASP  58           H        ASP  58  -8.583   8.525   4.610
  426    HA   ASP  58           HA       ASP  58  -9.780  10.234   6.520
  427   1HB   ASP  58          1HB       ASP  58  -9.037   8.657   7.983
  428   2HB   ASP  58          2HB       ASP  58  -8.569   7.740   6.565
  429    H    GLY  59           H        GLY  59  -6.612   9.885   4.841
  430   1HA   GLY  59          1HA       GLY  59  -5.028  11.469   4.452
  431   2HA   GLY  59          2HA       GLY  59  -5.924  12.621   5.422
  432    H    ASN  60           H        ASN  60  -5.005   9.341   6.550
  433    HA   ASN  60           HA       ASN  60  -3.775  10.499   8.819
  434   1HB   ASN  60          1HB       ASN  60  -3.403   8.145   9.510
  435   2HB   ASN  60          2HB       ASN  60  -5.039   8.338   8.912
  436   1HD2  ASN  60          2HD2      ASN  60  -3.363   5.269   7.493
  437   2HD2  ASN  60          1HD2      ASN  60  -3.559   5.923   9.085
  438    H    GLY  61           H        GLY  61  -2.817   9.437   5.618
  439   1HA   GLY  61          1HA       GLY  61  -0.692  10.116   4.782
  440   2HA   GLY  61          2HA       GLY  61   0.022   9.781   6.347
  441    H    THR  62           H        THR  62  -1.401   7.234   6.817
  442    HA   THR  62           HA       THR  62   0.141   5.593   4.935
  443    HB   THR  62           HB       THR  62  -0.241   3.878   6.851
  444    HG1  THR  62           HG1      THR  62  -1.547   4.709   8.431
  445   1HG2  THR  62          1HG2      THR  62   1.783   5.679   6.568
  446   2HG2  THR  62          2HG2      THR  62   1.065   6.298   8.075
  447   3HG2  THR  62          3HG2      THR  62   1.653   4.620   7.992
  448    H    ILE  63           H        ILE  63  -0.955   3.227   4.835
  449    HA   ILE  63           HA       ILE  63  -3.753   3.723   4.089
  450    HB   ILE  63           HB       ILE  63  -1.671   2.090   2.634
  451   1HG1  ILE  63          1HG1      ILE  63  -2.039   4.780   2.497
  452   2HG1  ILE  63          2HG1      ILE  63  -1.422   3.789   1.190
  453   1HG2  ILE  63          3HG2      ILE  63  -4.642   2.382   2.122
  454   2HG2  ILE  63          1HG2      ILE  63  -3.476   1.678   0.976
  455   3HG2  ILE  63          2HG2      ILE  63  -3.758   0.897   2.550
  456   1HD1  ILE  63          3HD1      ILE  63  -4.378   4.435   1.603
  457   2HD1  ILE  63          1HD1      ILE  63  -3.301   5.288   0.470
  458   3HD1  ILE  63          2HD1      ILE  63  -3.670   3.564   0.221
  459    H    ASP  64           H        ASP  64  -5.260   2.159   4.685
  460    HA   ASP  64           HA       ASP  64  -4.159   0.153   6.476
  461   1HB   ASP  64          1HB       ASP  64  -7.013   1.211   6.209
  462   2HB   ASP  64          2HB       ASP  64  -6.481   0.047   7.406
  463    H    PHE  65           H        PHE  65  -6.317  -1.662   6.559
  464    HA   PHE  65           HA       PHE  65  -5.992  -3.005   4.073
  465   1HB   PHE  65          1HB       PHE  65  -6.210  -3.978   6.458
  466   2HB   PHE  65          2HB       PHE  65  -7.892  -3.487   6.446
  467    HD1  PHE  65           HD1      PHE  65  -5.948  -5.009   3.666
  468    HD2  PHE  65           HD2      PHE  65  -9.031  -5.523   6.536
  469    HE1  PHE  65           HE1      PHE  65  -6.579  -7.192   2.599
  470    HE2  PHE  65           HE2      PHE  65  -9.661  -7.706   5.469
  471    HZ   PHE  65           HZ       PHE  65  -8.428  -8.514   3.513
  472    HA   PRO  66           HA       PRO  66 -10.575  -1.811   3.733
  473   1HB   PRO  66          1HB       PRO  66 -11.559   0.187   5.317
  474   2HB   PRO  66          2HB       PRO  66 -11.734  -1.514   5.700
  475   1HG   PRO  66          1HG       PRO  66  -9.920   0.481   6.910
  476   2HG   PRO  66          2HG       PRO  66 -10.414  -1.077   7.540
  477   1HD   PRO  66          1HD       PRO  66  -7.894  -0.437   6.329
  478   2HD   PRO  66          2HD       PRO  66  -8.433  -2.020   6.854
  479    H    GLU  67           H        GLU  67  -7.973   0.272   3.956
  480    HA   GLU  67           HA       GLU  67  -9.303   2.186   2.230
  481   1HB   GLU  67          1HB       GLU  67  -6.488   2.421   3.353
  482   2HB   GLU  67          2HB       GLU  67  -7.517   3.706   2.753
  483   1HG   GLU  67          1HG       GLU  67  -8.945   3.633   4.657
  484   2HG   GLU  67          2HG       GLU  67  -8.428   2.019   5.104
  485    H    PHE  68           H        PHE  68  -6.878  -0.385   2.296
  486    HA   PHE  68           HA       PHE  68  -5.846   0.367  -0.301
  487   1HB   PHE  68          1HB       PHE  68  -4.158  -0.548   1.092
  488   2HB   PHE  68          2HB       PHE  68  -5.292  -1.572   1.950
  489    HD1  PHE  68           HD1      PHE  68  -6.190  -3.636   0.718
  490    HD2  PHE  68           HD2      PHE  68  -2.811  -1.434  -0.604
  491    HE1  PHE  68           HE1      PHE  68  -5.436  -5.607  -0.640
  492    HE2  PHE  68           HE2      PHE  68  -2.058  -3.406  -1.962
  493    HZ   PHE  68           HZ       PHE  68  -3.379  -5.469  -1.964
  494    H    LEU  69           H        LEU  69  -7.987  -2.067   1.233
  495    HA   LEU  69           HA       LEU  69  -8.194  -3.996  -0.594
  496   1HB   LEU  69          1HB       LEU  69 -10.189  -2.612   1.134
  497   2HB   LEU  69          2HB       LEU  69 -10.781  -3.757  -0.053
  498    HG   LEU  69           HG       LEU  69  -8.595  -4.526   1.875
  499   1HD1  LEU  69          1HD1      LEU  69 -11.467  -4.081   2.461
  500   2HD1  LEU  69          2HD1      LEU  69 -10.759  -5.599   3.064
  501   3HD1  LEU  69          3HD1      LEU  69 -10.047  -4.036   3.534
  502   1HD2  LEU  69          1HD2      LEU  69  -9.280  -5.890  -0.211
  503   2HD2  LEU  69          2HD2      LEU  69  -9.121  -6.729   1.351
  504   3HD2  LEU  69          3HD2      LEU  69 -10.734  -6.306   0.728
  505    H    THR  70           H        THR  70  -9.661  -0.706  -0.868
  506    HA   THR  70           HA       THR  70 -11.073  -1.075  -3.201
  507    HB   THR  70           HB       THR  70 -11.198   0.947  -1.788
  508    HG1  THR  70           HG1      THR  70  -9.940   1.469  -4.388
  509   1HG2  THR  70          2HG2      THR  70  -8.526   0.929  -1.499
  510   2HG2  THR  70          3HG2      THR  70  -8.591   1.936  -2.965
  511   3HG2  THR  70          1HG2      THR  70  -9.426   2.465  -1.484
  512    H    MET  71           H        MET  71  -7.605  -0.074  -2.868
  513    HA   MET  71           HA       MET  71  -6.985   0.309  -5.422
  514   1HB   MET  71          1HB       MET  71  -5.616  -0.267  -3.002
  515   2HB   MET  71          2HB       MET  71  -5.003  -1.465  -4.124
  516   1HG   MET  71          1HG       MET  71  -5.119   1.078  -5.503
  517   2HG   MET  71          2HG       MET  71  -4.320   1.329  -3.963
  518   1HE   MET  71          3HE       MET  71  -3.322   1.840  -6.566
  519   2HE   MET  71          1HE       MET  71  -1.664   1.600  -5.965
  520   3HE   MET  71          2HE       MET  71  -2.238   0.687  -7.381
  521    H    MET  72           H        MET  72  -7.021  -2.942  -3.795
  522    HA   MET  72           HA       MET  72  -6.250  -4.398  -5.976
  523   1HB   MET  72          1HB       MET  72  -8.182  -5.085  -3.693
  524   2HB   MET  72          2HB       MET  72  -7.498  -6.288  -4.768
  525   1HG   MET  72          1HG       MET  72  -5.398  -4.548  -3.676
  526   2HG   MET  72          2HG       MET  72  -6.332  -5.284  -2.389
  527   1HE   MET  72          2HE       MET  72  -3.482  -5.367  -4.199
  528   2HE   MET  72          3HE       MET  72  -2.951  -7.047  -4.448
  529   3HE   MET  72          1HE       MET  72  -4.003  -6.259  -5.649
  530    H    ALA  73           H        ALA  73  -9.617  -3.611  -4.855
  531    HA   ALA  73           HA       ALA  73 -11.008  -4.965  -6.787
  532   1HB   ALA  73          1HB       ALA  73 -11.625  -3.366  -4.684
  533   2HB   ALA  73          2HB       ALA  73 -12.004  -2.260  -6.026
  534   3HB   ALA  73          3HB       ALA  73 -12.806  -3.846  -5.925
  535    H    ARG  74           H        ARG  74  -9.645  -1.608  -6.906
  536    HA   ARG  74           HA       ARG  74  -9.992  -1.793  -9.792
  537   1HB   ARG  74          1HB       ARG  74 -11.475  -0.049  -9.090
  538   2HB   ARG  74          2HB       ARG  74 -10.346   0.555  -7.894
  539   1HG   ARG  74          1HG       ARG  74  -9.080   0.649 -10.506
  540   2HG   ARG  74          2HG       ARG  74 -10.654   1.413 -10.613
  541   1HD   ARG  74          1HD       ARG  74  -9.840   3.257  -9.570
  542   2HD   ARG  74          2HD       ARG  74  -9.466   2.300  -8.150
  543    HE   ARG  74           HE       ARG  74  -7.347   1.675  -9.728
  544   1HH1  ARG  74          2HH2      ARG  74  -8.829   4.788  -9.023
  545   2HH1  ARG  74          1HH2      ARG  74  -7.357   5.678  -9.223
  546   1HH2  ARG  74          2HH1      ARG  74  -5.405   2.849  -9.992
  547   2HH2  ARG  74          1HH1      ARG  74  -5.396   4.568  -9.778
  548    H    LYS  75           H        LYS  75  -7.782  -2.814  -9.719
  549    HA   LYS  75           HA       LYS  75  -5.542  -1.813  -8.615
  550   1HB   LYS  75          1HB       LYS  75  -6.201  -3.485 -10.925
  551   2HB   LYS  75          2HB       LYS  75  -4.691  -2.621 -11.136
  552   1HG   LYS  75          1HG       LYS  75  -3.862  -3.468  -8.959
  553   2HG   LYS  75          2HG       LYS  75  -5.395  -4.261  -8.656
  554   1HD   LYS  75          1HD       LYS  75  -4.500  -5.117 -11.252
  555   2HD   LYS  75          2HD       LYS  75  -3.128  -5.238 -10.169
  556   1HE   LYS  75          1HE       LYS  75  -4.381  -7.344 -10.104
  557   2HE   LYS  75          2HE       LYS  75  -4.527  -6.548  -8.550
  558   1HZ   LYS  75          3HZ       LYS  75  -6.548  -5.847 -10.460
  559   2HZ   LYS  75          1HZ       LYS  75  -6.585  -7.404  -9.970
  560   3HZ   LYS  75          2HZ       LYS  75  -6.692  -6.199  -8.872
   
  No H/Q in entry =         560
  Start of MODEL    5
    1    H    MET   0           H        MET   0 -29.356 -17.581   2.325
    2    HA   MET   0           HA       MET   0 -29.244 -20.053   3.699
    3   1HB   MET   0          1HB       MET   0 -30.226 -18.994   1.049
    4   2HB   MET   0          2HB       MET   0 -29.917 -20.717   1.123
    5   1HG   MET   0          1HG       MET   0 -31.362 -20.756   3.266
    6   2HG   MET   0          2HG       MET   0 -31.826 -19.110   2.880
    7   1HE   MET   0          2HE       MET   0 -33.633 -21.509   3.318
    8   2HE   MET   0          3HE       MET   0 -34.548 -20.114   2.699
    9   3HE   MET   0          1HE       MET   0 -34.743 -21.713   1.941
   10    H    ALA   1           H        ALA   1 -27.636 -18.692   0.741
   11    HA   ALA   1           HA       ALA   1 -25.149 -19.611   1.163
   12   1HB   ALA   1          1HB       ALA   1 -26.973 -21.817   0.294
   13   2HB   ALA   1          2HB       ALA   1 -25.367 -21.739  -0.470
   14   3HB   ALA   1          3HB       ALA   1 -25.505 -21.877   1.299
   15    H    ASP   2           H        ASP   2 -25.174 -17.501   0.059
   16    HA   ASP   2           HA       ASP   2 -24.489 -17.757  -2.592
   17   1HB   ASP   2          1HB       ASP   2 -26.982 -18.047  -2.880
   18   2HB   ASP   2          2HB       ASP   2 -27.225 -16.466  -2.163
   19    H    GLN   3           H        GLN   3 -23.320 -16.578  -0.352
   20    HA   GLN   3           HA       GLN   3 -23.074 -13.897  -1.219
   21   1HB   GLN   3          1HB       GLN   3 -23.692 -12.825   0.937
   22   2HB   GLN   3          2HB       GLN   3 -25.068 -13.599   0.178
   23   1HG   GLN   3          1HG       GLN   3 -25.390 -14.653   2.170
   24   2HG   GLN   3          2HG       GLN   3 -24.030 -15.666   1.727
   25   1HE2  GLN   3          2HE2      GLN   3 -22.567 -14.742   4.752
   26   2HE2  GLN   3          1HE2      GLN   3 -23.308 -15.971   3.782
   27    H    LEU   4           H        LEU   4 -20.901 -13.547  -1.124
   28    HA   LEU   4           HA       LEU   4 -19.246 -15.296   0.373
   29   1HB   LEU   4          1HB       LEU   4 -17.446 -13.729  -0.449
   30   2HB   LEU   4          2HB       LEU   4 -18.382 -14.586  -1.658
   31    HG   LEU   4           HG       LEU   4 -19.450 -11.922  -0.985
   32   1HD1  LEU   4          2HD1      LEU   4 -16.603 -12.243  -1.584
   33   2HD1  LEU   4          3HD1      LEU   4 -17.450 -11.172  -2.726
   34   3HD1  LEU   4          1HD1      LEU   4 -17.503 -10.831  -0.979
   35   1HD2  LEU   4          1HD2      LEU   4 -19.304 -13.763  -3.238
   36   2HD2  LEU   4          2HD2      LEU   4 -20.477 -12.472  -2.883
   37   3HD2  LEU   4          3HD2      LEU   4 -18.949 -12.085  -3.710
   38    H    THR   5           H        THR   5 -17.338 -14.099   1.701
   39    HA   THR   5           HA       THR   5 -18.365 -11.945   3.333
   40    HB   THR   5           HB       THR   5 -18.730 -13.174   5.280
   41    HG1  THR   5           HG1      THR   5 -16.808 -15.000   4.019
   42   1HG2  THR   5          1HG2      THR   5 -18.940 -15.377   3.160
   43   2HG2  THR   5          2HG2      THR   5 -19.589 -15.489   4.813
   44   3HG2  THR   5          3HG2      THR   5 -20.261 -14.300   3.671
   45    H    GLU   6           H        GLU   6 -16.524 -12.146   5.442
   46    HA   GLU   6           HA       GLU   6 -14.397 -10.871   4.434
   47   1HB   GLU   6          1HB       GLU   6 -14.528 -12.685   6.880
   48   2HB   GLU   6          2HB       GLU   6 -13.190 -11.600   6.557
   49   1HG   GLU   6          1HG       GLU   6 -14.922  -9.697   6.412
   50   2HG   GLU   6          2HG       GLU   6 -16.105 -10.834   7.026
   51    H    GLU   7           H        GLU   7 -14.984 -14.375   4.510
   52    HA   GLU   7           HA       GLU   7 -12.584 -15.468   4.314
   53   1HB   GLU   7          1HB       GLU   7 -15.074 -16.043   2.665
   54   2HB   GLU   7          2HB       GLU   7 -13.658 -17.073   2.592
   55   1HG   GLU   7          1HG       GLU   7 -14.241 -16.581   5.376
   56   2HG   GLU   7          2HG       GLU   7 -15.740 -17.035   4.590
   57    H    GLN   8           H        GLN   8 -14.252 -13.603   1.724
   58    HA   GLN   8           HA       GLN   8 -12.367 -14.169  -0.248
   59   1HB   GLN   8          1HB       GLN   8 -14.768 -12.605   0.037
   60   2HB   GLN   8          2HB       GLN   8 -13.547 -11.577  -0.688
   61   1HG   GLN   8          1HG       GLN   8 -14.170 -12.579  -2.648
   62   2HG   GLN   8          2HG       GLN   8 -13.139 -13.892  -2.114
   63   1HE2  GLN   8          2HE2      GLN   8 -15.937 -15.817  -0.730
   64   2HE2  GLN   8          1HE2      GLN   8 -14.403 -15.188  -0.226
   65    H    ILE   9           H        ILE   9 -12.681 -11.528   2.187
   66    HA   ILE   9           HA       ILE   9 -10.645  -9.906   1.239
   67    HB   ILE   9           HB       ILE   9 -12.455  -9.811   3.248
   68   1HG1  ILE   9          1HG1      ILE   9 -10.859  -7.748   3.954
   69   2HG1  ILE   9          2HG1      ILE   9 -10.147  -8.140   2.402
   70   1HG2  ILE   9          3HG2      ILE   9 -10.929 -11.295   4.622
   71   2HG2  ILE   9          1HG2      ILE   9  -9.801  -9.920   4.689
   72   3HG2  ILE   9          2HG2      ILE   9 -11.434  -9.766   5.380
   73   1HD1  ILE   9          1HD1      ILE   9 -13.158  -7.875   2.706
   74   2HD1  ILE   9          2HD1      ILE   9 -12.125  -6.452   2.432
   75   3HD1  ILE   9          3HD1      ILE   9 -12.180  -7.758   1.224
   76    H    ALA  10           H        ALA  10 -10.572 -12.788   3.399
   77    HA   ALA  10           HA       ALA  10  -8.033 -12.708   4.314
   78   1HB   ALA  10          3HB       ALA  10 -10.073 -14.535   4.257
   79   2HB   ALA  10          1HB       ALA  10  -8.865 -15.339   3.227
   80   3HB   ALA  10          2HB       ALA  10  -8.444 -14.869   4.891
   81    H    GLU  11           H        GLU  11  -9.153 -13.518   0.999
   82    HA   GLU  11           HA       GLU  11  -6.655 -14.409   0.121
   83   1HB   GLU  11          1HB       GLU  11  -9.050 -13.294  -1.401
   84   2HB   GLU  11          2HB       GLU  11  -7.660 -14.024  -2.180
   85   1HG   GLU  11          1HG       GLU  11  -8.064 -16.130  -0.831
   86   2HG   GLU  11          2HG       GLU  11  -9.512 -15.394  -0.172
   87    H    PHE  12           H        PHE  12  -8.237 -11.201   0.298
   88    HA   PHE  12           HA       PHE  12  -6.292  -9.899  -1.305
   89   1HB   PHE  12          1HB       PHE  12  -8.436  -9.105   0.739
   90   2HB   PHE  12          2HB       PHE  12  -7.438  -7.883  -0.022
   91    HD1  PHE  12           HD1      PHE  12  -7.285  -9.171  -2.779
   92    HD2  PHE  12           HD2      PHE  12 -10.538  -8.489  -0.141
   93    HE1  PHE  12           HE1      PHE  12  -8.857  -9.105  -4.734
   94    HE2  PHE  12           HE2      PHE  12 -12.110  -8.423  -2.096
   95    HZ   PHE  12           HZ       PHE  12 -11.251  -8.731  -4.370
   96    H    LYS  13           H        LYS  13  -6.656 -10.662   2.164
   97    HA   LYS  13           HA       LYS  13  -5.076  -8.888   3.394
   98   1HB   LYS  13          1HB       LYS  13  -5.399 -11.859   3.756
   99   2HB   LYS  13          2HB       LYS  13  -4.297 -10.960   4.780
  100   1HG   LYS  13          1HG       LYS  13  -6.471  -9.313   4.920
  101   2HG   LYS  13          2HG       LYS  13  -7.289 -10.836   4.636
  102   1HD   LYS  13          1HD       LYS  13  -5.195 -11.247   6.607
  103   2HD   LYS  13          2HD       LYS  13  -6.170  -9.874   7.093
  104   1HE   LYS  13          1HE       LYS  13  -7.316 -12.593   6.294
  105   2HE   LYS  13          2HE       LYS  13  -7.037 -12.092   7.950
  106   1HZ   LYS  13          1HZ       LYS  13  -8.618 -10.378   6.209
  107   2HZ   LYS  13          2HZ       LYS  13  -9.312 -11.708   6.856
  108   3HZ   LYS  13          3HZ       LYS  13  -8.694 -10.552   7.831
  109    H    GLU  14           H        GLU  14  -3.815 -11.894   1.779
  110    HA   GLU  14           HA       GLU  14  -1.183 -11.383   2.150
  111   1HB   GLU  14          1HB       GLU  14  -2.590 -12.711  -0.204
  112   2HB   GLU  14          2HB       GLU  14  -0.854 -12.764   0.026
  113   1HG   GLU  14          1HG       GLU  14  -1.652 -13.558   2.515
  114   2HG   GLU  14          2HG       GLU  14  -3.021 -14.131   1.584
  115    H    ALA  15           H        ALA  15  -3.395 -10.095  -0.376
  116    HA   ALA  15           HA       ALA  15  -1.487  -8.938  -2.021
  117   1HB   ALA  15          2HB       ALA  15  -4.049  -9.262  -2.297
  118   2HB   ALA  15          3HB       ALA  15  -4.192  -7.710  -1.437
  119   3HB   ALA  15          1HB       ALA  15  -3.312  -7.795  -2.982
  120    H    PHE  16           H        PHE  16  -3.327  -7.503   0.766
  121    HA   PHE  16           HA       PHE  16  -2.092  -5.027   0.675
  122   1HB   PHE  16          1HB       PHE  16  -4.151  -5.829   1.994
  123   2HB   PHE  16          2HB       PHE  16  -3.071  -6.681   3.080
  124    HD1  PHE  16           HD2      PHE  16  -3.572  -3.241   1.710
  125    HD2  PHE  16           HD1      PHE  16  -2.462  -5.628   5.038
  126    HE1  PHE  16           HE2      PHE  16  -3.363  -1.176   3.121
  127    HE2  PHE  16           HE1      PHE  16  -2.253  -3.563   6.450
  128    HZ   PHE  16           HZ       PHE  16  -2.706  -1.362   5.474
  129    H    SER  17           H        SER  17  -1.023  -8.141   2.045
  130    HA   SER  17           HA       SER  17   0.913  -7.124   3.741
  131   1HB   SER  17          1HB       SER  17   0.925  -9.775   2.230
  132   2HB   SER  17          2HB       SER  17   1.877  -9.410   3.655
  133    HG   SER  17           HG       SER  17  -0.974  -9.734   3.433
  134    H    LEU  18           H        LEU  18   1.075  -8.268   0.300
  135    HA   LEU  18           HA       LEU  18   3.681  -8.145  -0.242
  136   1HB   LEU  18          1HB       LEU  18   1.214  -7.761  -1.710
  137   2HB   LEU  18          2HB       LEU  18   2.507  -6.793  -2.391
  138    HG   LEU  18           HG       LEU  18   3.787  -9.181  -2.084
  139   1HD1  LEU  18          3HD1      LEU  18   0.882  -9.818  -2.658
  140   2HD1  LEU  18          1HD1      LEU  18   2.239 -10.931  -2.959
  141   3HD1  LEU  18          2HD1      LEU  18   1.876 -10.399  -1.300
  142   1HD2  LEU  18          1HD2      LEU  18   3.505  -7.589  -4.090
  143   2HD2  LEU  18          2HD2      LEU  18   3.785  -9.317  -4.411
  144   3HD2  LEU  18          3HD2      LEU  18   2.144  -8.640  -4.550
  145    H    PHE  19           H        PHE  19   1.485  -5.263  -0.107
  146    HA   PHE  19           HA       PHE  19   3.663  -3.473  -0.510
  147   1HB   PHE  19          1HB       PHE  19   0.728  -3.312   0.363
  148   2HB   PHE  19          2HB       PHE  19   1.715  -1.866   0.297
  149    HD1  PHE  19           HD2      PHE  19   2.966  -1.487  -2.002
  150    HD2  PHE  19           HD1      PHE  19  -0.483  -3.909  -1.512
  151    HE1  PHE  19           HE2      PHE  19   2.450  -1.246  -4.447
  152    HE2  PHE  19           HE1      PHE  19  -1.000  -3.668  -3.957
  153    HZ   PHE  19           HZ       PHE  19   0.473  -2.340  -5.395
  154    H    ASP  20           H        ASP  20   1.625  -4.482   2.312
  155    HA   ASP  20           HA       ASP  20   2.994  -2.766   4.071
  156   1HB   ASP  20          1HB       ASP  20   0.806  -3.385   4.746
  157   2HB   ASP  20          2HB       ASP  20   1.055  -5.074   4.348
  158    H    LYS  21           H        LYS  21   5.225  -3.172   4.317
  159    HA   LYS  21           HA       LYS  21   5.988  -5.964   4.817
  160   1HB   LYS  21          1HB       LYS  21   7.380  -3.689   3.430
  161   2HB   LYS  21          2HB       LYS  21   8.329  -4.945   4.199
  162   1HG   LYS  21          1HG       LYS  21   6.058  -5.902   2.499
  163   2HG   LYS  21          2HG       LYS  21   7.366  -5.116   1.638
  164   1HD   LYS  21          1HD       LYS  21   8.282  -7.227   1.673
  165   2HD   LYS  21          2HD       LYS  21   8.850  -6.722   3.251
  166   1HE   LYS  21          1HE       LYS  21   7.772  -8.941   3.402
  167   2HE   LYS  21          2HE       LYS  21   6.863  -7.762   4.327
  168   1HZ   LYS  21          2HZ       LYS  21   6.120  -8.150   1.554
  169   2HZ   LYS  21          3HZ       LYS  21   5.713  -9.321   2.616
  170   3HZ   LYS  21          1HZ       LYS  21   5.180  -7.794   2.841
  171    H    ASP  22           H        ASP  22   4.743  -4.283   6.818
  172    HA   ASP  22           HA       ASP  22   7.062  -3.747   8.500
  173   1HB   ASP  22          1HB       ASP  22   4.385  -2.452   8.173
  174   2HB   ASP  22          2HB       ASP  22   4.943  -2.597   9.828
  175    H    GLY  23           H        GLY  23   3.570  -4.109   9.362
  176   1HA   GLY  23          1HA       GLY  23   2.962  -6.515   9.996
  177   2HA   GLY  23          2HA       GLY  23   4.295  -6.359  11.123
  178    H    ASP  24           H        ASP  24   1.926  -3.817  10.116
  179    HA   ASP  24           HA       ASP  24   1.008  -3.824  12.884
  180   1HB   ASP  24          1HB       ASP  24   0.852  -1.418  12.827
  181   2HB   ASP  24          2HB       ASP  24   2.446  -1.834  12.230
  182    H    GLY  25           H        GLY  25   0.359  -3.558   9.393
  183   1HA   GLY  25          1HA       GLY  25  -1.708  -4.428   8.561
  184   2HA   GLY  25          2HA       GLY  25  -2.536  -3.745   9.946
  185    H    THR  26           H        THR  26   0.050  -1.884   8.398
  186    HA   THR  26           HA       THR  26  -1.931  -0.321   6.907
  187    HB   THR  26           HB       THR  26  -1.391   0.566   9.324
  188    HG1  THR  26           HG1      THR  26  -2.337   2.064   7.947
  189   1HG2  THR  26          3HG2      THR  26   1.257   0.383   8.380
  190   2HG2  THR  26          1HG2      THR  26   0.842   2.098   8.151
  191   3HG2  THR  26          2HG2      THR  26   0.714   1.360   9.765
  192    H    ILE  27           H        ILE  27  -0.902   1.180   5.321
  193    HA   ILE  27           HA       ILE  27   1.725   0.165   4.504
  194    HB   ILE  27           HB       ILE  27  -0.679   0.610   2.730
  195   1HG1  ILE  27          1HG1      ILE  27   0.809  -1.926   3.477
  196   2HG1  ILE  27          2HG1      ILE  27  -0.795  -1.473   4.019
  197   1HG2  ILE  27          2HG2      ILE  27   1.655   1.285   1.852
  198   2HG2  ILE  27          3HG2      ILE  27   1.982  -0.465   1.821
  199   3HG2  ILE  27          1HG2      ILE  27   0.643   0.208   0.859
  200   1HD1  ILE  27          3HD1      ILE  27  -0.118  -1.675   1.060
  201   2HD1  ILE  27          1HD1      ILE  27  -0.660  -3.083   2.005
  202   3HD1  ILE  27          2HD1      ILE  27  -1.726  -1.669   1.822
  203    H    THR  28           H        THR  28   3.013   1.883   5.004
  204    HA   THR  28           HA       THR  28   2.031   4.569   4.692
  205    HB   THR  28           HB       THR  28   3.519   3.908   6.568
  206    HG1  THR  28           HG1      THR  28   3.891   6.050   5.946
  207   1HG2  THR  28          3HG2      THR  28   5.336   3.105   4.266
  208   2HG2  THR  28          1HG2      THR  28   6.038   3.677   5.798
  209   3HG2  THR  28          2HG2      THR  28   5.007   2.226   5.778
  210    H    THR  29           H        THR  29   4.726   5.572   3.819
  211    HA   THR  29           HA       THR  29   4.136   5.431   0.983
  212    HB   THR  29           HB       THR  29   6.044   7.220   1.043
  213    HG1  THR  29           HG1      THR  29   6.980   6.972   3.061
  214   1HG2  THR  29          1HG2      THR  29   3.392   7.595   1.317
  215   2HG2  THR  29          2HG2      THR  29   3.862   8.001   2.985
  216   3HG2  THR  29          3HG2      THR  29   4.535   8.926   1.621
  217    H    LYS  30           H        LYS  30   6.979   4.818   3.149
  218    HA   LYS  30           HA       LYS  30   8.656   3.883   1.170
  219   1HB   LYS  30          1HB       LYS  30   8.948   4.398   3.768
  220   2HB   LYS  30          2HB       LYS  30   8.752   2.662   3.899
  221   1HG   LYS  30          1HG       LYS  30  10.648   2.225   2.485
  222   2HG   LYS  30          2HG       LYS  30  10.692   3.873   1.893
  223   1HD   LYS  30          1HD       LYS  30  11.898   4.619   3.690
  224   2HD   LYS  30          2HD       LYS  30  10.921   3.724   4.837
  225   1HE   LYS  30          1HE       LYS  30  12.479   1.852   3.241
  226   2HE   LYS  30          2HE       LYS  30  13.546   3.076   3.899
  227   1HZ   LYS  30          1HZ       LYS  30  11.614   2.103   5.764
  228   2HZ   LYS  30          2HZ       LYS  30  12.656   0.958   5.245
  229   3HZ   LYS  30          3HZ       LYS  30  13.222   2.319   5.947
  230    H    GLU  31           H        GLU  31   6.555   1.930   3.407
  231    HA   GLU  31           HA       GLU  31   7.068  -0.491   2.323
  232   1HB   GLU  31          1HB       GLU  31   4.437   0.566   3.445
  233   2HB   GLU  31          2HB       GLU  31   4.770  -1.132   3.170
  234   1HG   GLU  31          1HG       GLU  31   6.821  -0.888   4.679
  235   2HG   GLU  31          2HG       GLU  31   6.278   0.735   5.057
  236    H    LEU  32           H        LEU  32   5.230   2.179   0.952
  237    HA   LEU  32           HA       LEU  32   3.892   0.507  -0.975
  238   1HB   LEU  32          1HB       LEU  32   3.075   2.698   0.149
  239   2HB   LEU  32          2HB       LEU  32   4.061   3.503  -1.055
  240    HG   LEU  32           HG       LEU  32   2.618   1.756  -2.609
  241   1HD1  LEU  32          3HD1      LEU  32   1.144   2.164  -0.101
  242   2HD1  LEU  32          1HD1      LEU  32   0.217   2.564  -1.568
  243   3HD1  LEU  32          2HD1      LEU  32   0.933   0.945  -1.381
  244   1HD2  LEU  32          2HD2      LEU  32   2.738   4.601  -2.095
  245   2HD2  LEU  32          3HD2      LEU  32   2.458   3.726  -3.619
  246   3HD2  LEU  32          1HD2      LEU  32   1.090   4.100  -2.544
  247    H    GLY  33           H        GLY  33   6.783   2.596  -0.727
  248   1HA   GLY  33          1HA       GLY  33   7.327   2.403  -3.570
  249   2HA   GLY  33          2HA       GLY  33   8.280   3.217  -2.345
  250    H    THR  34           H        THR  34   7.390   0.101  -1.237
  251    HA   THR  34           HA       THR  34  10.099  -0.847  -1.729
  252    HB   THR  34           HB       THR  34   7.912  -1.255   0.256
  253    HG1  THR  34           HG1      THR  34   9.783  -1.008   1.483
  254   1HG2  THR  34          3HG2      THR  34   8.143  -3.581  -0.774
  255   2HG2  THR  34          1HG2      THR  34   9.880  -3.509  -0.392
  256   3HG2  THR  34          2HG2      THR  34   8.678  -3.487   0.921
  257    H    VAL  35           H        VAL  35   6.681  -1.875  -2.304
  258    HA   VAL  35           HA       VAL  35   7.446  -4.209  -3.693
  259    HB   VAL  35           HB       VAL  35   4.955  -2.626  -3.253
  260   1HG1  VAL  35          2HG1      VAL  35   5.333  -4.691  -5.432
  261   2HG1  VAL  35          3HG1      VAL  35   3.745  -4.360  -4.698
  262   3HG1  VAL  35          1HG1      VAL  35   4.619  -3.064  -5.550
  263   1HG2  VAL  35          1HG2      VAL  35   5.872  -4.418  -1.691
  264   2HG2  VAL  35          2HG2      VAL  35   4.176  -4.601  -2.197
  265   3HG2  VAL  35          3HG2      VAL  35   5.442  -5.599  -2.951
  266    H    MET  36           H        MET  36   7.287  -0.803  -4.515
  267    HA   MET  36           HA       MET  36   6.954  -1.192  -7.284
  268   1HB   MET  36          1HB       MET  36   8.139   1.139  -5.675
  269   2HB   MET  36          2HB       MET  36   7.683   1.239  -7.364
  270   1HG   MET  36          1HG       MET  36   5.435   0.146  -5.919
  271   2HG   MET  36          2HG       MET  36   6.000   1.550  -5.036
  272   1HE   MET  36          3HE       MET  36   3.873   0.196  -7.176
  273   2HE   MET  36          1HE       MET  36   2.917   1.697  -7.131
  274   3HE   MET  36          2HE       MET  36   3.634   1.144  -8.663
  275    H    ARG  37           H        ARG  37   9.786  -0.751  -5.093
  276    HA   ARG  37           HA       ARG  37  11.585  -0.737  -7.284
  277   1HB   ARG  37          1HB       ARG  37  13.340  -0.751  -5.493
  278   2HB   ARG  37          2HB       ARG  37  12.133   0.488  -5.215
  279   1HG   ARG  37          1HG       ARG  37  10.959  -0.979  -3.592
  280   2HG   ARG  37          2HG       ARG  37  12.093  -2.276  -3.912
  281   1HD   ARG  37          1HD       ARG  37  13.243  -1.421  -2.122
  282   2HD   ARG  37          2HD       ARG  37  13.842  -0.246  -3.277
  283    HE   ARG  37           HE       ARG  37  11.454   0.875  -2.461
  284   1HH1  ARG  37          2HH2      ARG  37  14.255  -0.365  -0.729
  285   2HH1  ARG  37          1HH2      ARG  37  14.058   0.708   0.616
  286   1HH2  ARG  37          2HH1      ARG  37  11.194   2.291  -0.687
  287   2HH2  ARG  37          1HH1      ARG  37  12.305   2.229   0.641
  288    H    SER  38           H        SER  38   9.721  -3.144  -5.918
  289    HA   SER  38           HA       SER  38  11.811  -5.147  -6.064
  290   1HB   SER  38          1HB       SER  38  10.054  -4.932  -4.132
  291   2HB   SER  38          2HB       SER  38   8.928  -5.653  -5.265
  292    HG   SER  38           HG       SER  38  10.600  -6.957  -3.695
  293    H    LEU  39           H        LEU  39  10.237  -3.587  -8.322
  294    HA   LEU  39           HA       LEU  39   9.748  -5.995  -9.898
  295   1HB   LEU  39          1HB       LEU  39   7.614  -4.945  -8.878
  296   2HB   LEU  39          2HB       LEU  39   7.858  -3.665 -10.049
  297    HG   LEU  39           HG       LEU  39   8.030  -6.240 -11.356
  298   1HD1  LEU  39          2HD1      LEU  39   5.679  -5.795  -9.532
  299   2HD1  LEU  39          3HD1      LEU  39   5.508  -6.711 -11.048
  300   3HD1  LEU  39          1HD1      LEU  39   6.645  -7.266  -9.796
  301   1HD2  LEU  39          2HD2      LEU  39   7.550  -3.930 -12.312
  302   2HD2  LEU  39          3HD2      LEU  39   6.539  -5.272 -12.900
  303   3HD2  LEU  39          1HD2      LEU  39   5.893  -4.133 -11.693
  304    H    GLY  40           H        GLY  40  10.109  -2.396  -9.801
  305   1HA   GLY  40          1HA       GLY  40  12.271  -2.019 -11.278
  306   2HA   GLY  40          2HA       GLY  40  11.117  -2.408 -12.538
  307    H    GLN  41           H        GLN  41  10.595  -0.623  -9.428
  308    HA   GLN  41           HA       GLN  41  10.184   1.780 -10.993
  309   1HB   GLN  41          1HB       GLN  41   8.114   0.324  -9.382
  310   2HB   GLN  41          2HB       GLN  41   8.121   2.072  -9.258
  311   1HG   GLN  41          1HG       GLN  41   7.725   2.366 -11.595
  312   2HG   GLN  41          2HG       GLN  41   8.229   0.733 -11.982
  313   1HE2  GLN  41          2HE2      GLN  41   5.217  -0.855 -10.839
  314   2HE2  GLN  41          1HE2      GLN  41   6.940  -1.025 -10.861
  315    H    ASN  42           H        ASN  42   9.619   3.668  -9.218
  316    HA   ASN  42           HA       ASN  42  10.551   3.394  -6.662
  317   1HB   ASN  42          1HB       ASN  42  12.750   3.043  -8.126
  318   2HB   ASN  42          2HB       ASN  42  12.686   4.783  -8.324
  319   1HD2  ASN  42          2HD2      ASN  42  14.804   3.839  -5.373
  320   2HD2  ASN  42          1HD2      ASN  42  14.749   3.392  -7.045
  321    HA   PRO  43           HA       PRO  43   8.712   7.348  -8.115
  322   1HB   PRO  43          1HB       PRO  43   6.340   7.205  -6.766
  323   2HB   PRO  43          2HB       PRO  43   6.529   6.687  -8.429
  324   1HG   PRO  43          1HG       PRO  43   6.280   5.035  -5.990
  325   2HG   PRO  43          2HG       PRO  43   6.045   4.566  -7.662
  326   1HD   PRO  43          1HD       PRO  43   8.326   3.988  -6.023
  327   2HD   PRO  43          2HD       PRO  43   8.140   3.621  -7.726
  328    H    THR  44           H        THR  44   8.834   9.361  -7.177
  329    HA   THR  44           HA       THR  44  10.241   9.423  -4.752
  330    HB   THR  44           HB       THR  44   9.788  11.909  -4.993
  331    HG1  THR  44           HG1      THR  44   8.279  12.466  -6.635
  332   1HG2  THR  44          3HG2      THR  44  10.511  10.351  -7.525
  333   2HG2  THR  44          1HG2      THR  44  10.609  12.125  -7.418
  334   3HG2  THR  44          2HG2      THR  44  11.634  11.112  -6.373
  335    H    GLU  45           H        GLU  45   9.626  10.332  -2.682
  336    HA   GLU  45           HA       GLU  45   7.458   9.078  -1.621
  337   1HB   GLU  45          1HB       GLU  45   9.326  11.231  -0.768
  338   2HB   GLU  45          2HB       GLU  45   7.806  11.200   0.103
  339   1HG   GLU  45          1HG       GLU  45   8.139   8.900   0.795
  340   2HG   GLU  45          2HG       GLU  45   9.479   8.687  -0.314
  341    H    ALA  46           H        ALA  46   7.633  12.082  -3.438
  342    HA   ALA  46           HA       ALA  46   5.241  13.230  -2.457
  343   1HB   ALA  46          2HB       ALA  46   7.075  13.629  -4.816
  344   2HB   ALA  46          3HB       ALA  46   5.495  14.447  -4.783
  345   3HB   ALA  46          1HB       ALA  46   6.680  14.746  -3.488
  346    H    GLU  47           H        GLU  47   6.086  11.118  -5.268
  347    HA   GLU  47           HA       GLU  47   3.593  11.154  -6.429
  348   1HB   GLU  47          1HB       GLU  47   5.454  10.274  -7.662
  349   2HB   GLU  47          2HB       GLU  47   5.830   9.098  -6.418
  350   1HG   GLU  47          1HG       GLU  47   4.373   7.584  -7.287
  351   2HG   GLU  47          2HG       GLU  47   3.070   8.756  -7.319
  352    H    LEU  48           H        LEU  48   5.018   8.583  -4.274
  353    HA   LEU  48           HA       LEU  48   2.829   7.005  -4.017
  354   1HB   LEU  48          1HB       LEU  48   4.812   7.718  -1.853
  355   2HB   LEU  48          2HB       LEU  48   3.768   6.312  -1.868
  356    HG   LEU  48           HG       LEU  48   5.671   6.743  -4.149
  357   1HD1  LEU  48          3HD1      LEU  48   6.557   6.680  -1.485
  358   2HD1  LEU  48          1HD1      LEU  48   6.843   5.045  -2.129
  359   3HD1  LEU  48          2HD1      LEU  48   7.525   6.462  -2.962
  360   1HD2  LEU  48          3HD2      LEU  48   3.983   4.958  -4.277
  361   2HD2  LEU  48          1HD2      LEU  48   5.643   4.316  -4.257
  362   3HD2  LEU  48          2HD2      LEU  48   4.641   4.239  -2.788
  363    H    GLN  49           H        GLN  49   3.681   9.778  -1.823
  364    HA   GLN  49           HA       GLN  49   1.572   9.723  -0.205
  365   1HB   GLN  49          1HB       GLN  49   3.586  11.468  -0.593
  366   2HB   GLN  49          2HB       GLN  49   2.306  12.417  -1.322
  367   1HG   GLN  49          1HG       GLN  49   1.940  13.113   0.835
  368   2HG   GLN  49          2HG       GLN  49   1.021  11.626   0.953
  369   1HE2  GLN  49          2HE2      GLN  49   2.898  10.647   3.688
  370   2HE2  GLN  49          1HE2      GLN  49   1.361  10.968   2.957
  371    H    ASP  50           H        ASP  50   1.642  11.084  -3.549
  372    HA   ASP  50           HA       ASP  50  -0.898  12.156  -3.488
  373   1HB   ASP  50          1HB       ASP  50   1.189  11.645  -5.420
  374   2HB   ASP  50          2HB       ASP  50  -0.326  11.112  -6.120
  375    H    MET  51           H        MET  51   0.393   8.880  -4.257
  376    HA   MET  51           HA       MET  51  -2.032   7.880  -5.256
  377   1HB   MET  51          1HB       MET  51   0.337   6.396  -3.987
  378   2HB   MET  51          2HB       MET  51  -0.859   5.679  -5.048
  379   1HG   MET  51          1HG       MET  51  -0.094   6.956  -6.950
  380   2HG   MET  51          2HG       MET  51   0.842   8.043  -5.944
  381   1HE   MET  51          3HE       MET  51   1.299   6.478  -8.434
  382   2HE   MET  51          1HE       MET  51   3.067   6.421  -8.238
  383   3HE   MET  51          2HE       MET  51   2.135   4.909  -8.344
  384    H    ILE  52           H        ILE  52  -0.332   7.524  -2.063
  385    HA   ILE  52           HA       ILE  52  -2.208   5.906  -0.854
  386    HB   ILE  52           HB       ILE  52  -0.256   7.939   0.189
  387   1HG1  ILE  52          1HG1      ILE  52  -0.322   4.935  -0.065
  388   2HG1  ILE  52          2HG1      ILE  52   0.857   6.064  -0.700
  389   1HG2  ILE  52          2HG2      ILE  52  -2.484   6.707   1.620
  390   2HG2  ILE  52          3HG2      ILE  52  -0.902   6.340   2.350
  391   3HG2  ILE  52          1HG2      ILE  52  -1.397   8.031   2.102
  392   1HD1  ILE  52          1HD1      ILE  52   1.050   6.639   1.973
  393   2HD1  ILE  52          2HD1      ILE  52   0.615   4.915   2.039
  394   3HD1  ILE  52          3HD1      ILE  52   2.065   5.433   1.146
  395    H    ASN  53           H        ASN  53  -2.303   9.346  -1.655
  396    HA   ASN  53           HA       ASN  53  -4.371   9.947   0.161
  397   1HB   ASN  53          1HB       ASN  53  -2.946  11.307  -2.099
  398   2HB   ASN  53          2HB       ASN  53  -4.575  11.881  -1.803
  399   1HD2  ASN  53          2HD2      ASN  53  -2.044  13.795   0.222
  400   2HD2  ASN  53          1HD2      ASN  53  -2.207  13.367  -1.449
  401    H    GLU  54           H        GLU  54  -4.249   7.983  -2.567
  402    HA   GLU  54           HA       GLU  54  -6.826   8.801  -3.589
  403   1HB   GLU  54          1HB       GLU  54  -4.888   6.653  -4.558
  404   2HB   GLU  54          2HB       GLU  54  -6.370   7.108  -5.373
  405   1HG   GLU  54          1HG       GLU  54  -5.327   9.566  -5.239
  406   2HG   GLU  54          2HG       GLU  54  -3.817   8.696  -5.055
  407    H    VAL  55           H        VAL  55  -5.251   6.322  -1.612
  408    HA   VAL  55           HA       VAL  55  -7.833   4.927  -1.433
  409    HB   VAL  55           HB       VAL  55  -5.962   3.187  -0.449
  410   1HG1  VAL  55          3HG1      VAL  55  -7.654   3.454  -2.799
  411   2HG1  VAL  55          1HG1      VAL  55  -6.171   2.541  -3.167
  412   3HG1  VAL  55          2HG1      VAL  55  -7.242   2.006  -1.849
  413   1HG2  VAL  55          2HG2      VAL  55  -4.170   4.776  -1.264
  414   2HG2  VAL  55          3HG2      VAL  55  -4.059   3.113  -1.888
  415   3HG2  VAL  55          1HG2      VAL  55  -4.705   4.411  -2.922
  416    H    ASP  56           H        ASP  56  -7.167   7.375  -0.015
  417    HA   ASP  56           HA       ASP  56  -7.533   6.328   2.622
  418   1HB   ASP  56          1HB       ASP  56  -5.096   6.536   2.583
  419   2HB   ASP  56          2HB       ASP  56  -5.192   8.138   1.879
  420    H    ALA  57           H        ALA  57  -9.639   7.354   2.424
  421    HA   ALA  57           HA       ALA  57  -9.786  10.124   1.672
  422   1HB   ALA  57          1HB       ALA  57 -11.478   8.112   1.322
  423   2HB   ALA  57          2HB       ALA  57 -12.043   8.591   2.940
  424   3HB   ALA  57          3HB       ALA  57 -12.078   9.764   1.602
  425    H    ASP  58           H        ASP  58  -8.888   8.419   4.471
  426    HA   ASP  58           HA       ASP  58 -10.157  10.134   6.338
  427   1HB   ASP  58          1HB       ASP  58  -9.439   8.572   7.826
  428   2HB   ASP  58          2HB       ASP  58  -8.891   7.657   6.435
  429    H    GLY  59           H        GLY  59  -7.003   9.841   4.648
  430   1HA   GLY  59          1HA       GLY  59  -5.385  11.383   4.306
  431   2HA   GLY  59          2HA       GLY  59  -6.344  12.575   5.160
  432    H    ASN  60           H        ASN  60  -5.369   9.373   6.480
  433    HA   ASN  60           HA       ASN  60  -4.312  10.671   8.762
  434   1HB   ASN  60          1HB       ASN  60  -3.851   8.350   9.547
  435   2HB   ASN  60          2HB       ASN  60  -5.479   8.472   8.909
  436   1HD2  ASN  60          2HD2      ASN  60  -3.684   5.414   7.622
  437   2HD2  ASN  60          1HD2      ASN  60  -3.937   6.109   9.189
  438    H    GLY  61           H        GLY  61  -3.143   9.511   5.662
  439   1HA   GLY  61          1HA       GLY  61  -1.008  10.256   4.904
  440   2HA   GLY  61          2HA       GLY  61  -0.364  10.020   6.516
  441    H    THR  62           H        THR  62  -1.927   7.415   6.845
  442    HA   THR  62           HA       THR  62  -0.153   5.770   5.165
  443    HB   THR  62           HB       THR  62  -1.358   4.601   7.623
  444    HG1  THR  62           HG1      THR  62   0.634   6.757   7.632
  445   1HG2  THR  62          3HG2      THR  62   1.497   4.976   6.577
  446   2HG2  THR  62          1HG2      THR  62   1.085   4.101   8.071
  447   3HG2  THR  62          2HG2      THR  62   0.534   3.482   6.496
  448    H    ILE  63           H        ILE  63  -1.083   3.443   4.887
  449    HA   ILE  63           HA       ILE  63  -3.902   3.776   4.128
  450    HB   ILE  63           HB       ILE  63  -1.685   2.256   2.756
  451   1HG1  ILE  63          1HG1      ILE  63  -2.237   4.901   2.556
  452   2HG1  ILE  63          2HG1      ILE  63  -1.548   3.934   1.267
  453   1HG2  ILE  63          3HG2      ILE  63  -3.766   0.955   2.725
  454   2HG2  ILE  63          1HG2      ILE  63  -4.631   2.356   2.049
  455   3HG2  ILE  63          2HG2      ILE  63  -3.342   1.568   1.108
  456   1HD1  ILE  63          3HD1      ILE  63  -4.546   4.356   1.652
  457   2HD1  ILE  63          1HD1      ILE  63  -3.533   5.309   0.542
  458   3HD1  ILE  63          2HD1      ILE  63  -3.751   3.563   0.271
  459    H    ASP  64           H        ASP  64  -5.344   2.084   4.603
  460    HA   ASP  64           HA       ASP  64  -4.207   0.147   6.456
  461   1HB   ASP  64          1HB       ASP  64  -7.101   1.084   6.175
  462   2HB   ASP  64          2HB       ASP  64  -6.502  -0.017   7.400
  463    H    PHE  65           H        PHE  65  -6.408  -1.675   6.502
  464    HA   PHE  65           HA       PHE  65  -6.008  -3.001   3.999
  465   1HB   PHE  65          1HB       PHE  65  -6.189  -3.976   6.411
  466   2HB   PHE  65          2HB       PHE  65  -7.901  -3.611   6.343
  467    HD1  PHE  65           HD2      PHE  65  -5.747  -4.980   3.638
  468    HD2  PHE  65           HD1      PHE  65  -8.899  -5.719   6.381
  469    HE1  PHE  65           HE2      PHE  65  -6.178  -7.199   2.546
  470    HE2  PHE  65           HE1      PHE  65  -9.330  -7.938   5.290
  471    HZ   PHE  65           HZ       PHE  65  -7.964  -8.651   3.385
  472    HA   PRO  66           HA       PRO  66 -10.633  -1.970   3.726
  473   1HB   PRO  66          1HB       PRO  66 -11.678  -0.046   5.362
  474   2HB   PRO  66          2HB       PRO  66 -11.784  -1.760   5.710
  475   1HG   PRO  66          1HG       PRO  66 -10.035   0.276   6.947
  476   2HG   PRO  66          2HG       PRO  66 -10.463  -1.314   7.547
  477   1HD   PRO  66          1HD       PRO  66  -7.982  -0.550   6.328
  478   2HD   PRO  66          2HD       PRO  66  -8.454  -2.164   6.822
  479    H    GLU  67           H        GLU  67  -8.143   0.265   4.041
  480    HA   GLU  67           HA       GLU  67  -9.550   2.166   2.382
  481   1HB   GLU  67          1HB       GLU  67  -6.692   2.439   3.365
  482   2HB   GLU  67          2HB       GLU  67  -7.808   3.712   2.912
  483   1HG   GLU  67          1HG       GLU  67  -8.720   1.924   5.135
  484   2HG   GLU  67          2HG       GLU  67  -7.344   2.946   5.502
  485    H    PHE  68           H        PHE  68  -7.116  -0.384   2.250
  486    HA   PHE  68           HA       PHE  68  -6.208   0.484  -0.365
  487   1HB   PHE  68          1HB       PHE  68  -4.426  -0.401   0.931
  488   2HB   PHE  68          2HB       PHE  68  -5.481  -1.494   1.805
  489    HD1  PHE  68           HD1      PHE  68  -6.314  -3.576   0.600
  490    HD2  PHE  68           HD2      PHE  68  -3.166  -1.159  -0.901
  491    HE1  PHE  68           HE1      PHE  68  -5.549  -5.475  -0.851
  492    HE2  PHE  68           HE2      PHE  68  -2.400  -3.058  -2.353
  493    HZ   PHE  68           HZ       PHE  68  -3.601  -5.193  -2.311
  494    H    LEU  69           H        LEU  69  -8.139  -2.103   1.216
  495    HA   LEU  69           HA       LEU  69  -8.377  -3.964  -0.679
  496   1HB   LEU  69          1HB       LEU  69 -10.346  -2.754   1.216
  497   2HB   LEU  69          2HB       LEU  69 -10.907  -3.940   0.054
  498    HG   LEU  69           HG       LEU  69  -8.540  -4.551   1.809
  499   1HD1  LEU  69          1HD1      LEU  69 -11.448  -4.583   2.603
  500   2HD1  LEU  69          2HD1      LEU  69 -10.255  -5.670   3.354
  501   3HD1  LEU  69          3HD1      LEU  69 -10.051  -3.906   3.474
  502   1HD2  LEU  69          3HD2      LEU  69  -9.295  -5.970  -0.197
  503   2HD2  LEU  69          1HD2      LEU  69  -9.002  -6.793   1.353
  504   3HD2  LEU  69          2HD2      LEU  69 -10.668  -6.446   0.831
  505    H    THR  70           H        THR  70  -9.889  -0.700  -0.737
  506    HA   THR  70           HA       THR  70 -11.506  -1.050  -2.957
  507    HB   THR  70           HB       THR  70 -11.600   0.911  -1.462
  508    HG1  THR  70           HG1      THR  70 -11.932   2.271  -3.245
  509   1HG2  THR  70          3HG2      THR  70  -8.900   0.969  -1.390
  510   2HG2  THR  70          1HG2      THR  70  -9.136   2.072  -2.767
  511   3HG2  THR  70          2HG2      THR  70  -9.858   2.455  -1.185
  512    H    MET  71           H        MET  71  -8.059   0.061  -2.838
  513    HA   MET  71           HA       MET  71  -7.619   0.589  -5.391
  514   1HB   MET  71          1HB       MET  71  -6.073  -0.072  -3.128
  515   2HB   MET  71          2HB       MET  71  -5.558  -1.262  -4.307
  516   1HG   MET  71          1HG       MET  71  -5.743   1.329  -5.612
  517   2HG   MET  71          2HG       MET  71  -4.792   1.499  -4.149
  518   1HE   MET  71          1HE       MET  71  -3.487   2.243  -6.428
  519   2HE   MET  71          2HE       MET  71  -2.212   1.754  -5.287
  520   3HE   MET  71          3HE       MET  71  -2.157   1.196  -6.976
  521    H    MET  72           H        MET  72  -7.649  -2.750  -3.974
  522    HA   MET  72           HA       MET  72  -7.021  -4.030  -6.352
  523   1HB   MET  72          1HB       MET  72  -8.635  -4.965  -3.913
  524   2HB   MET  72          2HB       MET  72  -8.009  -6.049  -5.140
  525   1HG   MET  72          1HG       MET  72  -5.885  -4.280  -4.174
  526   2HG   MET  72          2HG       MET  72  -6.646  -5.105  -2.828
  527   1HE   MET  72          2HE       MET  72  -4.699  -5.199  -5.985
  528   2HE   MET  72          3HE       MET  72  -3.540  -5.531  -4.675
  529   3HE   MET  72          1HE       MET  72  -3.848  -6.761  -5.924
  530    H    ALA  73           H        ALA  73 -10.212  -3.325  -4.779
  531    HA   ALA  73           HA       ALA  73 -11.802  -4.624  -6.640
  532   1HB   ALA  73          3HB       ALA  73 -12.077  -2.757  -4.426
  533   2HB   ALA  73          1HB       ALA  73 -13.211  -2.353  -5.737
  534   3HB   ALA  73          2HB       ALA  73 -13.224  -3.982  -5.020
  535    H    ARG  74           H        ARG  74 -10.472  -1.265  -6.578
  536    HA   ARG  74           HA       ARG  74 -11.421  -1.035  -9.320
  537   1HB   ARG  74          1HB       ARG  74 -10.801   1.136  -7.254
  538   2HB   ARG  74          2HB       ARG  74 -11.195   1.477  -8.928
  539   1HG   ARG  74          1HG       ARG  74 -13.392   1.420  -8.375
  540   2HG   ARG  74          2HG       ARG  74 -13.230  -0.296  -8.055
  541   1HD   ARG  74          1HD       ARG  74 -14.147   0.850  -6.068
  542   2HD   ARG  74          2HD       ARG  74 -12.567   0.190  -5.699
  543    HE   ARG  74           HE       ARG  74 -11.683   2.379  -5.555
  544   1HH1  ARG  74          2HH2      ARG  74 -14.961   2.461  -6.830
  545   2HH1  ARG  74          1HH2      ARG  74 -15.119   4.178  -6.666
  546   1HH2  ARG  74          2HH1      ARG  74 -11.890   4.644  -5.337
  547   2HH2  ARG  74          1HH1      ARG  74 -13.360   5.428  -5.811
  548    H    LYS  75           H        LYS  75  -9.279  -2.438  -9.535
  549    HA   LYS  75           HA       LYS  75  -6.802  -1.218  -9.090
  550   1HB   LYS  75          1HB       LYS  75  -7.844  -3.653 -10.287
  551   2HB   LYS  75          2HB       LYS  75  -6.509  -3.018 -11.226
  552   1HG   LYS  75          1HG       LYS  75  -5.152  -2.825  -9.101
  553   2HG   LYS  75          2HG       LYS  75  -6.478  -3.555  -8.218
  554   1HD   LYS  75          1HD       LYS  75  -4.859  -5.300  -8.757
  555   2HD   LYS  75          2HD       LYS  75  -6.315  -5.590  -9.689
  556   1HE   LYS  75          1HE       LYS  75  -4.250  -3.857 -11.002
  557   2HE   LYS  75          2HE       LYS  75  -3.808  -5.539 -10.784
  558   1HZ   LYS  75          1HZ       LYS  75  -6.414  -5.473 -11.701
  559   2HZ   LYS  75          2HZ       LYS  75  -5.557  -4.455 -12.648
  560   3HZ   LYS  75          3HZ       LYS  75  -5.089  -6.012 -12.490
   
  No H/Q in entry =         560
  Start of MODEL    6
    1    H    MET   0           H        MET   0 -22.449 -22.912  -5.814
    2    HA   MET   0           HA       MET   0 -25.110 -23.727  -5.510
    3   1HB   MET   0          1HB       MET   0 -22.461 -24.948  -6.276
    4   2HB   MET   0          2HB       MET   0 -23.705 -26.076  -5.774
    5   1HG   MET   0          1HG       MET   0 -25.257 -25.205  -7.485
    6   2HG   MET   0          2HG       MET   0 -24.121 -23.946  -7.927
    7   1HE   MET   0          1HE       MET   0 -25.615 -26.964  -8.625
    8   2HE   MET   0          2HE       MET   0 -24.569 -27.895  -9.724
    9   3HE   MET   0          3HE       MET   0 -24.423 -28.107  -7.963
   10    H    ALA   1           H        ALA   1 -22.402 -23.562  -3.323
   11    HA   ALA   1           HA       ALA   1 -23.924 -24.361  -1.130
   12   1HB   ALA   1          1HB       ALA   1 -23.352 -26.587  -2.516
   13   2HB   ALA   1          2HB       ALA   1 -21.826 -26.444  -1.611
   14   3HB   ALA   1          3HB       ALA   1 -23.372 -26.561  -0.736
   15    H    ASP   2           H        ASP   2 -22.470 -22.109  -1.640
   16    HA   ASP   2           HA       ASP   2 -20.516 -22.295   0.417
   17   1HB   ASP   2          1HB       ASP   2 -19.548 -22.718  -2.125
   18   2HB   ASP   2          2HB       ASP   2 -19.433 -20.971  -2.036
   19    H    GLN   3           H        GLN   3 -19.224 -19.755  -0.178
   20    HA   GLN   3           HA       GLN   3 -21.186 -17.863  -0.911
   21   1HB   GLN   3          1HB       GLN   3 -21.699 -18.636   1.571
   22   2HB   GLN   3          2HB       GLN   3 -20.339 -17.611   1.982
   23   1HG   GLN   3          1HG       GLN   3 -21.526 -15.696   1.620
   24   2HG   GLN   3          2HG       GLN   3 -22.173 -16.281   0.100
   25   1HE2  GLN   3          2HE2      GLN   3 -25.182 -17.580   1.372
   26   2HE2  GLN   3          1HE2      GLN   3 -24.032 -17.592   0.077
   27    H    LEU   4           H        LEU   4 -20.095 -16.141  -1.784
   28    HA   LEU   4           HA       LEU   4 -17.234 -16.066  -1.383
   29   1HB   LEU   4          1HB       LEU   4 -17.344 -14.341  -3.173
   30   2HB   LEU   4          2HB       LEU   4 -17.926 -15.932  -3.621
   31    HG   LEU   4           HG       LEU   4 -20.112 -14.277  -2.666
   32   1HD1  LEU   4          2HD1      LEU   4 -18.179 -12.749  -3.935
   33   2HD1  LEU   4          3HD1      LEU   4 -19.334 -13.136  -5.234
   34   3HD1  LEU   4          1HD1      LEU   4 -19.901 -12.341  -3.746
   35   1HD2  LEU   4          3HD2      LEU   4 -19.452 -16.057  -4.939
   36   2HD2  LEU   4          1HD2      LEU   4 -20.911 -15.970  -3.923
   37   3HD2  LEU   4          2HD2      LEU   4 -20.680 -14.807  -5.251
   38    H    THR   5           H        THR   5 -16.742 -13.298  -1.725
   39    HA   THR   5           HA       THR   5 -16.333 -11.541  -0.410
   40    HB   THR   5           HB       THR   5 -18.507 -10.479   0.485
   41    HG1  THR   5           HG1      THR   5 -19.549 -12.592   0.819
   42   1HG2  THR   5          1HG2      THR   5 -18.622 -11.581  -2.373
   43   2HG2  THR   5          2HG2      THR   5 -19.562 -10.204  -1.749
   44   3HG2  THR   5          3HG2      THR   5 -17.793 -10.079  -1.896
   45    H    GLU   6           H        GLU   6 -16.241 -10.618   1.819
   46    HA   GLU   6           HA       GLU   6 -15.864 -10.799   3.952
   47   1HB   GLU   6          1HB       GLU   6 -17.614 -13.298   3.888
   48   2HB   GLU   6          2HB       GLU   6 -17.095 -12.470   5.342
   49   1HG   GLU   6          1HG       GLU   6 -18.208 -10.349   4.392
   50   2HG   GLU   6          2HG       GLU   6 -18.900 -11.367   3.145
   51    H    GLU   7           H        GLU   7 -15.867 -14.138   2.509
   52    HA   GLU   7           HA       GLU   7 -13.617 -14.852   4.098
   53   1HB   GLU   7          1HB       GLU   7 -15.006 -16.299   1.800
   54   2HB   GLU   7          2HB       GLU   7 -13.751 -17.004   2.799
   55   1HG   GLU   7          1HG       GLU   7 -15.639 -15.926   4.632
   56   2HG   GLU   7          2HG       GLU   7 -16.600 -16.682   3.377
   57    H    GLN   8           H        GLN   8 -14.282 -14.056   0.639
   58    HA   GLN   8           HA       GLN   8 -11.828 -14.661  -0.379
   59   1HB   GLN   8          1HB       GLN   8 -14.179 -13.418  -1.278
   60   2HB   GLN   8          2HB       GLN   8 -12.949 -12.194  -1.523
   61   1HG   GLN   8          1HG       GLN   8 -12.589 -13.327  -3.490
   62   2HG   GLN   8          2HG       GLN   8 -11.594 -14.356  -2.480
   63   1HE2  GLN   8          2HE2      GLN   8 -14.159 -16.253  -4.567
   64   2HE2  GLN   8          1HE2      GLN   8 -13.079 -14.945  -4.921
   65    H    ILE   9           H        ILE   9 -12.907 -11.795   1.474
   66    HA   ILE   9           HA       ILE   9 -10.725 -10.152   0.937
   67    HB   ILE   9           HB       ILE   9 -13.065  -9.929   2.280
   68   1HG1  ILE   9          1HG1      ILE   9 -11.653  -7.723   3.163
   69   2HG1  ILE   9          2HG1      ILE   9 -10.707  -8.249   1.784
   70   1HG2  ILE   9          2HG2      ILE   9 -10.891  -9.933   4.392
   71   2HG2  ILE   9          3HG2      ILE   9 -12.559  -9.354   4.617
   72   3HG2  ILE   9          1HG2      ILE   9 -12.253 -11.072   4.266
   73   1HD1  ILE   9          2HD1      ILE   9 -13.276  -8.506   0.794
   74   2HD1  ILE   9          3HD1      ILE   9 -13.439  -7.098   1.870
   75   3HD1  ILE   9          1HD1      ILE   9 -12.238  -7.080   0.557
   76    H    ALA  10           H        ALA  10 -11.288 -12.596   3.549
   77    HA   ALA  10           HA       ALA  10  -9.142 -12.280   5.102
   78   1HB   ALA  10          1HB       ALA  10 -10.989 -14.104   5.053
   79   2HB   ALA  10          2HB       ALA  10  -9.856 -15.022   4.032
   80   3HB   ALA  10          3HB       ALA  10  -9.386 -14.554   5.684
   81    H    GLU  11           H        GLU  11  -9.167 -13.562   1.752
   82    HA   GLU  11           HA       GLU  11  -6.494 -14.401   1.821
   83   1HB   GLU  11          1HB       GLU  11  -8.240 -13.644  -0.564
   84   2HB   GLU  11          2HB       GLU  11  -6.735 -14.537  -0.656
   85   1HG   GLU  11          1HG       GLU  11  -7.668 -16.399   0.615
   86   2HG   GLU  11          2HG       GLU  11  -9.109 -15.483   1.010
   87    H    PHE  12           H        PHE  12  -8.136 -11.441   0.505
   88    HA   PHE  12           HA       PHE  12  -6.012 -10.169  -0.583
   89   1HB   PHE  12          1HB       PHE  12  -8.461  -9.337   1.036
   90   2HB   PHE  12          2HB       PHE  12  -7.349  -8.087   0.514
   91    HD1  PHE  12           HD1      PHE  12  -9.657 -10.711  -0.668
   92    HD2  PHE  12           HD2      PHE  12  -7.296  -7.355  -1.752
   93    HE1  PHE  12           HE1      PHE  12 -10.791 -10.635  -2.906
   94    HE2  PHE  12           HE2      PHE  12  -8.430  -7.280  -3.990
   95    HZ   PHE  12           HZ       PHE  12 -10.164  -8.921  -4.540
   96    H    LYS  13           H        LYS  13  -6.739 -10.644   2.875
   97    HA   LYS  13           HA       LYS  13  -5.346  -8.718   4.108
   98   1HB   LYS  13          1HB       LYS  13  -5.450 -11.678   4.742
   99   2HB   LYS  13          2HB       LYS  13  -4.782 -10.482   5.834
  100   1HG   LYS  13          1HG       LYS  13  -7.053  -9.216   5.529
  101   2HG   LYS  13          2HG       LYS  13  -7.648 -10.715   4.843
  102   1HD   LYS  13          1HD       LYS  13  -6.968 -11.928   6.936
  103   2HD   LYS  13          2HD       LYS  13  -6.414 -10.413   7.622
  104   1HE   LYS  13          1HE       LYS  13  -8.863  -9.563   7.075
  105   2HE   LYS  13          2HE       LYS  13  -9.254 -11.269   6.985
  106   1HZ   LYS  13          1HZ       LYS  13  -7.745 -10.337   9.281
  107   2HZ   LYS  13          2HZ       LYS  13  -9.341  -9.997   9.222
  108   3HZ   LYS  13          3HZ       LYS  13  -8.835 -11.549   9.180
  109    H    GLU  14           H        GLU  14  -3.851 -11.815   2.922
  110    HA   GLU  14           HA       GLU  14  -1.285 -11.166   3.525
  111   1HB   GLU  14          1HB       GLU  14  -2.353 -12.786   1.173
  112   2HB   GLU  14          2HB       GLU  14  -0.673 -12.779   1.668
  113   1HG   GLU  14          1HG       GLU  14  -1.829 -13.319   4.079
  114   2HG   GLU  14          2HG       GLU  14  -3.051 -14.004   3.027
  115    H    ALA  15           H        ALA  15  -3.222 -10.303   0.613
  116    HA   ALA  15           HA       ALA  15  -1.258  -9.293  -0.994
  117   1HB   ALA  15          2HB       ALA  15  -3.945  -9.493  -1.118
  118   2HB   ALA  15          3HB       ALA  15  -3.810  -7.752  -0.775
  119   3HB   ALA  15          1HB       ALA  15  -3.010  -8.442  -2.207
  120    H    PHE  16           H        PHE  16  -3.200  -7.457   1.477
  121    HA   PHE  16           HA       PHE  16  -1.914  -5.060   1.223
  122   1HB   PHE  16          1HB       PHE  16  -3.962  -5.677   2.616
  123   2HB   PHE  16          2HB       PHE  16  -2.916  -6.516   3.744
  124    HD1  PHE  16           HD2      PHE  16  -3.221  -3.133   2.184
  125    HD2  PHE  16           HD1      PHE  16  -2.310  -5.391   5.658
  126    HE1  PHE  16           HE2      PHE  16  -2.920  -1.008   3.486
  127    HE2  PHE  16           HE1      PHE  16  -2.009  -3.267   6.960
  128    HZ   PHE  16           HZ       PHE  16  -2.318  -1.100   5.859
  129    H    SER  17           H        SER  17  -0.900  -7.999   3.013
  130    HA   SER  17           HA       SER  17   1.062  -6.845   4.543
  131   1HB   SER  17          1HB       SER  17   0.091  -9.297   4.448
  132   2HB   SER  17          2HB       SER  17   1.398  -9.596   3.320
  133    HG   SER  17           HG       SER  17   2.869  -9.461   4.906
  134    H    LEU  18           H        LEU  18   1.269  -8.366   1.248
  135    HA   LEU  18           HA       LEU  18   3.867  -8.259   0.704
  136   1HB   LEU  18          1HB       LEU  18   1.418  -8.144  -0.790
  137   2HB   LEU  18          2HB       LEU  18   2.611  -7.115  -1.558
  138    HG   LEU  18           HG       LEU  18   4.066  -9.403  -1.039
  139   1HD1  LEU  18          2HD1      LEU  18   1.218 -10.187  -1.689
  140   2HD1  LEU  18          3HD1      LEU  18   2.621 -11.239  -1.992
  141   3HD1  LEU  18          1HD1      LEU  18   2.231 -10.732  -0.331
  142   1HD2  LEU  18          3HD2      LEU  18   2.564  -8.538  -3.520
  143   2HD2  LEU  18          1HD2      LEU  18   4.251  -8.180  -3.077
  144   3HD2  LEU  18          2HD2      LEU  18   3.774  -9.843  -3.494
  145    H    PHE  19           H        PHE  19   1.645  -5.398   0.502
  146    HA   PHE  19           HA       PHE  19   3.808  -3.640  -0.069
  147   1HB   PHE  19          1HB       PHE  19   0.865  -3.429   0.759
  148   2HB   PHE  19          2HB       PHE  19   1.833  -1.980   0.576
  149    HD1  PHE  19           HD2      PHE  19   2.695  -1.338  -1.647
  150    HD2  PHE  19           HD1      PHE  19   0.104  -4.662  -1.154
  151    HE1  PHE  19           HE2      PHE  19   2.209  -1.325  -4.110
  152    HE2  PHE  19           HE1      PHE  19  -0.382  -4.649  -3.617
  153    HZ   PHE  19           HZ       PHE  19   0.676  -2.981  -5.065
  154    H    ASP  20           H        ASP  20   1.800  -4.413   2.842
  155    HA   ASP  20           HA       ASP  20   3.221  -2.516   4.402
  156   1HB   ASP  20          1HB       ASP  20   0.906  -3.005   4.963
  157   2HB   ASP  20          2HB       ASP  20   1.225  -4.726   5.050
  158    H    LYS  21           H        LYS  21   5.465  -3.226   4.294
  159    HA   LYS  21           HA       LYS  21   6.274  -5.866   4.668
  160   1HB   LYS  21          1HB       LYS  21   7.480  -3.559   3.907
  161   2HB   LYS  21          2HB       LYS  21   8.098  -3.692   5.541
  162   1HG   LYS  21          1HG       LYS  21   8.127  -6.242   3.994
  163   2HG   LYS  21          2HG       LYS  21   9.172  -4.990   3.353
  164   1HD   LYS  21          1HD       LYS  21   9.187  -6.029   6.226
  165   2HD   LYS  21          2HD       LYS  21  10.382  -6.399   4.998
  166   1HE   LYS  21          1HE       LYS  21  10.340  -3.608   4.958
  167   2HE   LYS  21          2HE       LYS  21  10.079  -3.958   6.655
  168   1HZ   LYS  21          2HZ       LYS  21  12.027  -5.663   6.024
  169   2HZ   LYS  21          3HZ       LYS  21  12.404  -4.400   5.060
  170   3HZ   LYS  21          1HZ       LYS  21  12.273  -4.185   6.674
  171    H    ASP  22           H        ASP  22   6.430  -3.101   7.030
  172    HA   ASP  22           HA       ASP  22   7.198  -4.512   9.178
  173   1HB   ASP  22          1HB       ASP  22   5.003  -2.423   9.401
  174   2HB   ASP  22          2HB       ASP  22   6.319  -2.724  10.518
  175    H    GLY  23           H        GLY  23   4.131  -4.597   7.458
  176   1HA   GLY  23          1HA       GLY  23   2.225  -5.748   7.751
  177   2HA   GLY  23          2HA       GLY  23   3.163  -6.874   8.712
  178    H    ASP  24           H        ASP  24   3.176  -3.538   9.798
  179    HA   ASP  24           HA       ASP  24   2.174  -4.203  12.270
  180   1HB   ASP  24          1HB       ASP  24   1.832  -1.639  12.456
  181   2HB   ASP  24          2HB       ASP  24   3.457  -2.215  12.139
  182    H    GLY  25           H        GLY  25   0.639  -3.242   9.213
  183   1HA   GLY  25          1HA       GLY  25  -1.706  -4.024   9.064
  184   2HA   GLY  25          2HA       GLY  25  -1.996  -3.158  10.560
  185    H    THR  26           H        THR  26   0.348  -1.432   8.816
  186    HA   THR  26           HA       THR  26  -1.639   0.076   7.282
  187    HB   THR  26           HB       THR  26  -0.887   2.172   8.314
  188    HG1  THR  26           HG1      THR  26   1.040   2.108   9.443
  189   1HG2  THR  26          3HG2      THR  26  -2.462   0.508   9.698
  190   2HG2  THR  26          1HG2      THR  26  -1.023   0.353  10.733
  191   3HG2  THR  26          2HG2      THR  26  -1.774   1.947  10.488
  192    H    ILE  27           H        ILE  27  -0.826   1.185   5.472
  193    HA   ILE  27           HA       ILE  27   1.925   0.389   4.812
  194    HB   ILE  27           HB       ILE  27  -0.497   0.695   3.037
  195   1HG1  ILE  27          1HG1      ILE  27   1.201  -1.750   3.608
  196   2HG1  ILE  27          2HG1      ILE  27  -0.310  -1.395   4.422
  197   1HG2  ILE  27          2HG2      ILE  27   1.542   1.590   1.963
  198   2HG2  ILE  27          3HG2      ILE  27   2.347   0.026   2.232
  199   3HG2  ILE  27          1HG2      ILE  27   0.925   0.123   1.166
  200   1HD1  ILE  27          2HD1      ILE  27  -1.478  -1.337   2.200
  201   2HD1  ILE  27          3HD1      ILE  27   0.058  -1.777   1.415
  202   3HD1  ILE  27          1HD1      ILE  27  -0.726  -2.914   2.537
  203    H    THR  28           H        THR  28   3.320   2.059   4.854
  204    HA   THR  28           HA       THR  28   2.249   4.756   4.652
  205    HB   THR  28           HB       THR  28   3.827   4.128   6.485
  206    HG1  THR  28           HG1      THR  28   4.005   6.290   5.746
  207   1HG2  THR  28          2HG2      THR  28   5.534   3.334   4.106
  208   2HG2  THR  28          3HG2      THR  28   6.323   4.018   5.547
  209   3HG2  THR  28          1HG2      THR  28   5.367   2.523   5.682
  210    H    THR  29           H        THR  29   4.853   5.801   3.639
  211    HA   THR  29           HA       THR  29   4.157   5.595   0.844
  212    HB   THR  29           HB       THR  29   6.143   7.324   0.805
  213    HG1  THR  29           HG1      THR  29   7.071   7.410   2.810
  214   1HG2  THR  29          1HG2      THR  29   3.428   7.620   2.054
  215   2HG2  THR  29          2HG2      THR  29   4.601   8.909   2.415
  216   3HG2  THR  29          3HG2      THR  29   4.167   8.548   0.727
  217    H    LYS  30           H        LYS  30   7.129   4.991   2.836
  218    HA   LYS  30           HA       LYS  30   8.628   3.944   0.763
  219   1HB   LYS  30          1HB       LYS  30   9.157   4.596   3.289
  220   2HB   LYS  30          2HB       LYS  30   8.948   2.875   3.539
  221   1HG   LYS  30          1HG       LYS  30  10.737   2.309   2.075
  222   2HG   LYS  30          2HG       LYS  30  10.693   3.862   1.263
  223   1HD   LYS  30          1HD       LYS  30  11.640   4.998   3.197
  224   2HD   LYS  30          2HD       LYS  30  11.441   3.579   4.206
  225   1HE   LYS  30          1HE       LYS  30  13.475   2.802   3.571
  226   2HE   LYS  30          2HE       LYS  30  12.977   2.795   1.891
  227   1HZ   LYS  30          1HZ       LYS  30  13.631   5.365   3.031
  228   2HZ   LYS  30          2HZ       LYS  30  14.878   4.339   2.784
  229   3HZ   LYS  30          3HZ       LYS  30  13.927   4.784   1.534
  230    H    GLU  31           H        GLU  31   6.772   2.114   3.302
  231    HA   GLU  31           HA       GLU  31   7.150  -0.358   2.337
  232   1HB   GLU  31          1HB       GLU  31   4.596   0.805   3.533
  233   2HB   GLU  31          2HB       GLU  31   4.902  -0.911   3.360
  234   1HG   GLU  31          1HG       GLU  31   6.993  -0.644   4.754
  235   2HG   GLU  31          2HG       GLU  31   6.597   1.048   4.980
  236    H    LEU  32           H        LEU  32   5.279   2.240   0.884
  237    HA   LEU  32           HA       LEU  32   3.816   0.453  -0.845
  238   1HB   LEU  32          1HB       LEU  32   3.028   2.683   0.175
  239   2HB   LEU  32          2HB       LEU  32   3.988   3.445  -1.077
  240    HG   LEU  32           HG       LEU  32   2.448   1.558  -2.453
  241   1HD1  LEU  32          1HD1      LEU  32   1.017   2.542  -0.050
  242   2HD1  LEU  32          2HD1      LEU  32   0.126   2.611  -1.589
  243   3HD1  LEU  32          3HD1      LEU  32   0.783   1.062  -1.010
  244   1HD2  LEU  32          1HD2      LEU  32   2.552   4.516  -2.175
  245   2HD2  LEU  32          2HD2      LEU  32   2.735   3.483  -3.614
  246   3HD2  LEU  32          3HD2      LEU  32   1.114   3.823  -2.962
  247    H    GLY  33           H        GLY  33   6.493   2.878  -1.087
  248   1HA   GLY  33          1HA       GLY  33   6.934   2.447  -3.860
  249   2HA   GLY  33          2HA       GLY  33   7.995   3.257  -2.725
  250    H    THR  34           H        THR  34   7.390   0.381  -1.200
  251    HA   THR  34           HA       THR  34   9.939  -0.689  -1.977
  252    HB   THR  34           HB       THR  34   7.880  -1.039   0.155
  253    HG1  THR  34           HG1      THR  34  10.027   0.017   0.300
  254   1HG2  THR  34          3HG2      THR  34   9.697  -3.322  -0.777
  255   2HG2  THR  34          1HG2      THR  34   8.965  -3.234   0.844
  256   3HG2  THR  34          2HG2      THR  34   7.927  -3.382  -0.595
  257    H    VAL  35           H        VAL  35   6.638  -2.198  -1.866
  258    HA   VAL  35           HA       VAL  35   7.271  -4.392  -3.367
  259    HB   VAL  35           HB       VAL  35   4.795  -2.829  -2.803
  260   1HG1  VAL  35          2HG1      VAL  35   4.928  -5.111  -4.803
  261   2HG1  VAL  35          3HG1      VAL  35   3.433  -4.453  -4.097
  262   3HG1  VAL  35          1HG1      VAL  35   4.454  -3.428  -5.133
  263   1HG2  VAL  35          2HG2      VAL  35   5.785  -4.478  -1.199
  264   2HG2  VAL  35          3HG2      VAL  35   4.112  -4.848  -1.680
  265   3HG2  VAL  35          1HG2      VAL  35   5.465  -5.760  -2.391
  266    H    MET  36           H        MET  36   6.832  -1.031  -4.370
  267    HA   MET  36           HA       MET  36   6.286  -1.520  -7.048
  268   1HB   MET  36          1HB       MET  36   7.708   0.798  -5.626
  269   2HB   MET  36          2HB       MET  36   7.199   0.871  -7.301
  270   1HG   MET  36          1HG       MET  36   4.945  -0.047  -5.750
  271   2HG   MET  36          2HG       MET  36   5.618   1.348  -4.929
  272   1HE   MET  36          1HE       MET  36   3.233   0.175  -6.797
  273   2HE   MET  36          2HE       MET  36   2.486   1.789  -6.725
  274   3HE   MET  36          3HE       MET  36   2.938   1.087  -8.297
  275    H    ARG  37           H        ARG  37   9.384  -1.102  -5.240
  276    HA   ARG  37           HA       ARG  37  11.041  -0.982  -7.407
  277   1HB   ARG  37          1HB       ARG  37  11.343  -1.897  -4.542
  278   2HB   ARG  37          2HB       ARG  37  12.667  -2.221  -5.643
  279   1HG   ARG  37          1HG       ARG  37  13.277  -0.015  -5.765
  280   2HG   ARG  37          2HG       ARG  37  11.618   0.539  -5.880
  281   1HD   ARG  37          1HD       ARG  37  11.835  -0.457  -3.240
  282   2HD   ARG  37          2HD       ARG  37  13.357   0.365  -3.516
  283    HE   ARG  37           HE       ARG  37  10.708   1.604  -3.345
  284   1HH1  ARG  37          2HH2      ARG  37  13.993   1.986  -4.548
  285   2HH1  ARG  37          1HH2      ARG  37  13.905   3.715  -4.611
  286   1HH2  ARG  37          2HH1      ARG  37  10.592   3.885  -3.428
  287   2HH2  ARG  37          1HH1      ARG  37  11.958   4.802  -3.969
  288    H    SER  38           H        SER  38   9.096  -3.609  -6.243
  289    HA   SER  38           HA       SER  38  10.811  -5.636  -7.319
  290   1HB   SER  38          1HB       SER  38   7.955  -6.173  -6.527
  291   2HB   SER  38          2HB       SER  38   9.373  -7.179  -6.306
  292    HG   SER  38           HG       SER  38  10.079  -5.331  -4.776
  293    H    LEU  39           H        LEU  39   8.690  -3.349  -8.587
  294    HA   LEU  39           HA       LEU  39   7.981  -5.130 -10.815
  295   1HB   LEU  39          1HB       LEU  39   6.271  -3.734  -9.146
  296   2HB   LEU  39          2HB       LEU  39   6.399  -2.692 -10.550
  297    HG   LEU  39           HG       LEU  39   6.005  -5.165 -11.706
  298   1HD1  LEU  39          3HD1      LEU  39   5.529  -5.859  -9.208
  299   2HD1  LEU  39          1HD1      LEU  39   3.941  -5.128  -9.541
  300   3HD1  LEU  39          2HD1      LEU  39   4.528  -6.475 -10.545
  301   1HD2  LEU  39          1HD2      LEU  39   4.909  -2.767 -11.946
  302   2HD2  LEU  39          2HD2      LEU  39   4.108  -4.231 -12.565
  303   3HD2  LEU  39          3HD2      LEU  39   3.605  -3.532 -11.007
  304    H    GLY  40           H        GLY  40  10.422  -3.337 -10.075
  305   1HA   GLY  40          1HA       GLY  40  11.909  -2.182 -11.317
  306   2HA   GLY  40          2HA       GLY  40  10.881  -2.398 -12.720
  307    H    GLN  41           H        GLN  41   9.276  -1.052  -9.927
  308    HA   GLN  41           HA       GLN  41   9.272   1.510 -11.292
  309   1HB   GLN  41          1HB       GLN  41   7.367   0.166  -9.354
  310   2HB   GLN  41          2HB       GLN  41   7.292   1.898  -9.611
  311   1HG   GLN  41          1HG       GLN  41   7.458   0.779 -12.216
  312   2HG   GLN  41          2HG       GLN  41   6.354  -0.267 -11.345
  313   1HE2  GLN  41          2HE2      GLN  41   3.862   2.202 -10.729
  314   2HE2  GLN  41          1HE2      GLN  41   4.626   0.787 -10.087
  315    H    ASN  42           H        ASN  42   8.717   3.358  -9.405
  316    HA   ASN  42           HA       ASN  42   9.821   3.146  -6.948
  317   1HB   ASN  42          1HB       ASN  42  12.022   2.676  -7.848
  318   2HB   ASN  42          2HB       ASN  42  11.868   3.915  -9.078
  319   1HD2  ASN  42          2HD2      ASN  42  13.889   5.892  -7.026
  320   2HD2  ASN  42          1HD2      ASN  42  13.740   4.940  -8.465
  321    HA   PRO  43           HA       PRO  43   7.976   7.101  -8.388
  322   1HB   PRO  43          1HB       PRO  43   5.670   7.022  -6.923
  323   2HB   PRO  43          2HB       PRO  43   5.771   6.468  -8.582
  324   1HG   PRO  43          1HG       PRO  43   5.617   4.869  -6.101
  325   2HG   PRO  43          2HG       PRO  43   5.293   4.371  -7.750
  326   1HD   PRO  43          1HD       PRO  43   7.643   3.789  -6.211
  327   2HD   PRO  43          2HD       PRO  43   7.368   3.392  -7.896
  328    H    THR  44           H        THR  44   8.712   8.966  -7.593
  329    HA   THR  44           HA       THR  44  10.057   9.094  -5.235
  330    HB   THR  44           HB       THR  44   9.716  11.573  -5.490
  331    HG1  THR  44           HG1      THR  44   8.113  12.163  -7.124
  332   1HG2  THR  44          2HG2      THR  44  10.942   9.936  -7.357
  333   2HG2  THR  44          3HG2      THR  44   9.715  10.749  -8.358
  334   3HG2  THR  44          1HG2      THR  44  10.913  11.713  -7.461
  335    H    GLU  45           H        GLU  45   9.573  10.265  -3.188
  336    HA   GLU  45           HA       GLU  45   7.472   9.016  -1.920
  337   1HB   GLU  45          1HB       GLU  45   9.359  11.257  -1.244
  338   2HB   GLU  45          2HB       GLU  45   7.969  11.032  -0.202
  339   1HG   GLU  45          1HG       GLU  45   8.597   8.617   0.093
  340   2HG   GLU  45          2HG       GLU  45  10.004   8.868  -0.922
  341    H    ALA  46           H        ALA  46   7.645  12.042  -3.742
  342    HA   ALA  46           HA       ALA  46   5.341  13.247  -2.649
  343   1HB   ALA  46          1HB       ALA  46   6.827  13.560  -5.285
  344   2HB   ALA  46          2HB       ALA  46   5.480  14.608  -4.779
  345   3HB   ALA  46          3HB       ALA  46   6.982  14.566  -3.825
  346    H    GLU  47           H        GLU  47   5.953  11.074  -5.471
  347    HA   GLU  47           HA       GLU  47   3.385  11.184  -6.475
  348   1HB   GLU  47          1HB       GLU  47   5.262  10.269  -7.753
  349   2HB   GLU  47          2HB       GLU  47   5.479   8.971  -6.596
  350   1HG   GLU  47          1HG       GLU  47   4.185   7.813  -8.115
  351   2HG   GLU  47          2HG       GLU  47   2.877   8.520  -7.188
  352    H    LEU  48           H        LEU  48   4.897   8.559  -4.447
  353    HA   LEU  48           HA       LEU  48   2.719   7.020  -4.035
  354   1HB   LEU  48          1HB       LEU  48   4.825   7.740  -1.991
  355   2HB   LEU  48          2HB       LEU  48   3.767   6.344  -1.927
  356    HG   LEU  48           HG       LEU  48   5.513   6.706  -4.336
  357   1HD1  LEU  48          2HD1      LEU  48   6.493   5.695  -1.652
  358   2HD1  LEU  48          3HD1      LEU  48   7.356   5.514  -3.198
  359   3HD1  LEU  48          1HD1      LEU  48   7.061   7.137  -2.529
  360   1HD2  LEU  48          2HD2      LEU  48   4.455   4.315  -2.807
  361   2HD2  LEU  48          3HD2      LEU  48   3.937   4.900  -4.406
  362   3HD2  LEU  48          1HD2      LEU  48   5.566   4.215  -4.193
  363    H    GLN  49           H        GLN  49   3.701   9.810  -1.919
  364    HA   GLN  49           HA       GLN  49   1.737   9.808  -0.159
  365   1HB   GLN  49          1HB       GLN  49   3.651  11.579  -0.776
  366   2HB   GLN  49          2HB       GLN  49   2.306  12.456  -1.480
  367   1HG   GLN  49          1HG       GLN  49   2.156  13.282   0.676
  368   2HG   GLN  49          2HG       GLN  49   1.141  11.868   0.873
  369   1HE2  GLN  49          2HE2      GLN  49   3.037  10.850   3.582
  370   2HE2  GLN  49          1HE2      GLN  49   1.503  11.256   2.889
  371    H    ASP  50           H        ASP  50   1.465  10.992  -3.559
  372    HA   ASP  50           HA       ASP  50  -1.111  11.974  -3.300
  373   1HB   ASP  50          1HB       ASP  50   0.833  11.747  -5.320
  374   2HB   ASP  50          2HB       ASP  50  -0.497  10.785  -5.932
  375    H    MET  51           H        MET  51   0.252   8.779  -4.346
  376    HA   MET  51           HA       MET  51  -2.151   7.625  -5.073
  377   1HB   MET  51          1HB       MET  51   0.361   6.323  -3.880
  378   2HB   MET  51          2HB       MET  51  -0.866   5.474  -4.799
  379   1HG   MET  51          1HG       MET  51  -0.319   6.655  -6.831
  380   2HG   MET  51          2HG       MET  51   0.612   7.866  -5.972
  381   1HE   MET  51          1HE       MET  51   1.381   6.177  -8.488
  382   2HE   MET  51          2HE       MET  51   2.563   4.871  -8.231
  383   3HE   MET  51          3HE       MET  51   0.830   4.572  -7.950
  384    H    ILE  52           H        ILE  52  -0.426   7.766  -1.908
  385    HA   ILE  52           HA       ILE  52  -2.187   6.010  -0.586
  386    HB   ILE  52           HB       ILE  52  -0.232   8.099   0.355
  387   1HG1  ILE  52          1HG1      ILE  52  -0.164   5.118  -0.039
  388   2HG1  ILE  52          2HG1      ILE  52   0.966   6.337  -0.596
  389   1HG2  ILE  52          1HG2      ILE  52  -2.365   6.887   1.851
  390   2HG2  ILE  52          2HG2      ILE  52  -0.797   6.300   2.456
  391   3HG2  ILE  52          3HG2      ILE  52  -1.125   8.048   2.383
  392   1HD1  ILE  52          1HD1      ILE  52   1.203   6.756   2.075
  393   2HD1  ILE  52          2HD1      ILE  52   0.742   5.037   2.092
  394   3HD1  ILE  52          3HD1      ILE  52   2.190   5.561   1.199
  395    H    ASN  53           H        ASN  53  -2.299   9.435  -1.462
  396    HA   ASN  53           HA       ASN  53  -4.476   9.889   0.355
  397   1HB   ASN  53          1HB       ASN  53  -2.978  11.617  -1.666
  398   2HB   ASN  53          2HB       ASN  53  -4.438  12.201  -0.891
  399   1HD2  ASN  53          2HD2      ASN  53  -1.341  13.240   0.990
  400   2HD2  ASN  53          1HD2      ASN  53  -1.850  13.321  -0.664
  401    H    GLU  54           H        GLU  54  -4.237   8.167  -2.391
  402    HA   GLU  54           HA       GLU  54  -6.471   9.407  -3.759
  403   1HB   GLU  54          1HB       GLU  54  -4.467   7.263  -4.541
  404   2HB   GLU  54          2HB       GLU  54  -5.919   7.534  -5.483
  405   1HG   GLU  54          1HG       GLU  54  -4.723  10.108  -4.955
  406   2HG   GLU  54          2HG       GLU  54  -3.456   9.038  -5.521
  407    H    VAL  55           H        VAL  55  -5.704   6.908  -1.495
  408    HA   VAL  55           HA       VAL  55  -8.317   5.663  -2.012
  409    HB   VAL  55           HB       VAL  55  -6.992   3.772  -0.629
  410   1HG1  VAL  55          3HG1      VAL  55  -8.219   3.735  -2.902
  411   2HG1  VAL  55          1HG1      VAL  55  -6.606   3.964  -3.618
  412   3HG1  VAL  55          2HG1      VAL  55  -6.940   2.530  -2.617
  413   1HG2  VAL  55          3HG2      VAL  55  -4.913   5.257  -0.713
  414   2HG2  VAL  55          1HG2      VAL  55  -4.717   3.569  -1.244
  415   3HG2  VAL  55          2HG2      VAL  55  -4.840   4.873  -2.450
  416    H    ASP  56           H        ASP  56  -5.886   6.806   0.378
  417    HA   ASP  56           HA       ASP  56  -7.514   6.212   2.585
  418   1HB   ASP  56          1HB       ASP  56  -5.080   6.482   2.802
  419   2HB   ASP  56          2HB       ASP  56  -5.168   8.127   2.206
  420    H    ALA  57           H        ALA  57  -9.513   7.257   2.797
  421    HA   ALA  57           HA       ALA  57  -9.742  10.004   1.871
  422   1HB   ALA  57          2HB       ALA  57 -11.409   8.196   1.278
  423   2HB   ALA  57          3HB       ALA  57 -11.869   8.144   2.997
  424   3HB   ALA  57          1HB       ALA  57 -12.120   9.632   2.053
  425    H    ASP  58           H        ASP  58  -8.780   8.365   4.657
  426    HA   ASP  58           HA       ASP  58 -10.145  10.043   6.509
  427   1HB   ASP  58          1HB       ASP  58  -9.417   8.517   8.037
  428   2HB   ASP  58          2HB       ASP  58  -8.907   7.572   6.652
  429    H    GLY  59           H        GLY  59  -6.994   9.813   4.828
  430   1HA   GLY  59          1HA       GLY  59  -5.395  11.381   4.511
  431   2HA   GLY  59          2HA       GLY  59  -6.354  12.538   5.413
  432    H    ASN  60           H        ASN  60  -5.386   9.313   6.659
  433    HA   ASN  60           HA       ASN  60  -4.328  10.521   8.969
  434   1HB   ASN  60          1HB       ASN  60  -3.751   8.170   9.611
  435   2HB   ASN  60          2HB       ASN  60  -5.401   8.285   9.032
  436   1HD2  ASN  60          2HD2      ASN  60  -3.855   5.312   7.475
  437   2HD2  ASN  60          1HD2      ASN  60  -4.226   5.883   9.068
  438    H    GLY  61           H        GLY  61  -3.117   9.546   5.816
  439   1HA   GLY  61          1HA       GLY  61  -1.011  10.431   5.107
  440   2HA   GLY  61          2HA       GLY  61  -0.357  10.110   6.701
  441    H    THR  62           H        THR  62  -1.773   7.443   6.912
  442    HA   THR  62           HA       THR  62   0.013   5.969   5.093
  443    HB   THR  62           HB       THR  62  -0.366   4.186   7.003
  444    HG1  THR  62           HG1      THR  62  -1.568   5.049   8.650
  445   1HG2  THR  62          3HG2      THR  62   1.778   5.564   6.692
  446   2HG2  THR  62          1HG2      THR  62   1.067   6.772   7.789
  447   3HG2  THR  62          2HG2      THR  62   1.414   5.129   8.379
  448    H    ILE  63           H        ILE  63  -0.952   3.489   5.062
  449    HA   ILE  63           HA       ILE  63  -3.743   3.819   4.210
  450    HB   ILE  63           HB       ILE  63  -1.510   2.339   2.821
  451   1HG1  ILE  63          1HG1      ILE  63  -2.242   4.991   2.627
  452   2HG1  ILE  63          2HG1      ILE  63  -1.349   4.075   1.429
  453   1HG2  ILE  63          1HG2      ILE  63  -4.498   2.224   2.441
  454   2HG2  ILE  63          2HG2      ILE  63  -3.370   1.889   1.106
  455   3HG2  ILE  63          3HG2      ILE  63  -3.327   0.891   2.579
  456   1HD1  ILE  63          3HD1      ILE  63  -4.376   3.957   1.445
  457   2HD1  ILE  63          1HD1      ILE  63  -3.538   5.342   0.704
  458   3HD1  ILE  63          2HD1      ILE  63  -3.253   3.695   0.090
  459    H    ASP  64           H        ASP  64  -5.164   2.141   4.739
  460    HA   ASP  64           HA       ASP  64  -4.003   0.247   6.613
  461   1HB   ASP  64          1HB       ASP  64  -6.916   1.068   6.191
  462   2HB   ASP  64          2HB       ASP  64  -6.346  -0.021   7.440
  463    H    PHE  65           H        PHE  65  -6.083  -1.695   6.611
  464    HA   PHE  65           HA       PHE  65  -5.524  -3.040   4.153
  465   1HB   PHE  65          1HB       PHE  65  -5.638  -4.233   6.318
  466   2HB   PHE  65          2HB       PHE  65  -7.216  -3.555   6.664
  467    HD1  PHE  65           HD2      PHE  65  -5.861  -5.278   3.638
  468    HD2  PHE  65           HD1      PHE  65  -8.751  -5.273   6.746
  469    HE1  PHE  65           HE2      PHE  65  -6.952  -7.299   2.627
  470    HE2  PHE  65           HE1      PHE  65  -9.841  -7.295   5.734
  471    HZ   PHE  65           HZ       PHE  65  -8.929  -8.284   3.687
  472    HA   PRO  66           HA       PRO  66 -10.178  -2.231   3.672
  473   1HB   PRO  66          1HB       PRO  66 -11.359  -0.291   5.192
  474   2HB   PRO  66          2HB       PRO  66 -11.411  -1.994   5.602
  475   1HG   PRO  66          1HG       PRO  66  -9.792   0.158   6.823
  476   2HG   PRO  66          2HG       PRO  66 -10.180  -1.424   7.468
  477   1HD   PRO  66          1HD       PRO  66  -7.686  -0.607   6.312
  478   2HD   PRO  66          2HD       PRO  66  -8.113  -2.219   6.851
  479    H    GLU  67           H        GLU  67  -7.901   0.259   4.151
  480    HA   GLU  67           HA       GLU  67  -9.283   1.983   2.316
  481   1HB   GLU  67          1HB       GLU  67  -6.495   2.379   3.468
  482   2HB   GLU  67          2HB       GLU  67  -7.568   3.606   2.825
  483   1HG   GLU  67          1HG       GLU  67  -9.054   3.464   4.693
  484   2HG   GLU  67          2HG       GLU  67  -8.426   1.905   5.192
  485    H    PHE  68           H        PHE  68  -6.862  -0.539   2.299
  486    HA   PHE  68           HA       PHE  68  -5.787   0.336  -0.252
  487   1HB   PHE  68          1HB       PHE  68  -4.074  -0.587   1.087
  488   2HB   PHE  68          2HB       PHE  68  -5.189  -1.612   1.968
  489    HD1  PHE  68           HD2      PHE  68  -6.100  -3.684   0.752
  490    HD2  PHE  68           HD1      PHE  68  -2.738  -1.482  -0.611
  491    HE1  PHE  68           HE2      PHE  68  -5.355  -5.661  -0.604
  492    HE2  PHE  68           HE1      PHE  68  -1.993  -3.458  -1.966
  493    HZ   PHE  68           HZ       PHE  68  -3.310  -5.524  -1.947
  494    H    LEU  69           H        LEU  69  -8.008  -2.058   1.171
  495    HA   LEU  69           HA       LEU  69  -8.101  -3.955  -0.778
  496   1HB   LEU  69          1HB       LEU  69 -10.160  -2.789   1.062
  497   2HB   LEU  69          2HB       LEU  69 -10.622  -4.003  -0.115
  498    HG   LEU  69           HG       LEU  69  -8.294  -4.563   1.689
  499   1HD1  LEU  69          1HD1      LEU  69 -11.059  -4.115   2.582
  500   2HD1  LEU  69          2HD1      LEU  69 -10.374  -5.684   3.069
  501   3HD1  LEU  69          3HD1      LEU  69  -9.540  -4.174   3.508
  502   1HD2  LEU  69          1HD2      LEU  69 -10.406  -6.218   0.298
  503   2HD2  LEU  69          2HD2      LEU  69  -8.648  -6.199   0.021
  504   3HD2  LEU  69          3HD2      LEU  69  -9.304  -6.883   1.528
  505    H    THR  70           H        THR  70  -9.383  -0.624  -0.828
  506    HA   THR  70           HA       THR  70 -10.971  -0.949  -3.141
  507    HB   THR  70           HB       THR  70 -11.428   0.925  -1.728
  508    HG1  THR  70           HG1      THR  70 -11.478   1.770  -3.821
  509   1HG2  THR  70          3HG2      THR  70  -8.422   1.218  -1.725
  510   2HG2  THR  70          1HG2      THR  70  -9.399   2.702  -1.616
  511   3HG2  THR  70          2HG2      THR  70  -9.574   1.429  -0.384
  512    H    MET  71           H        MET  71  -7.508  -0.234  -2.614
  513    HA   MET  71           HA       MET  71  -6.957   0.638  -5.166
  514   1HB   MET  71          1HB       MET  71  -5.551  -0.092  -2.767
  515   2HB   MET  71          2HB       MET  71  -4.792  -0.999  -4.060
  516   1HG   MET  71          1HG       MET  71  -5.262   1.696  -5.011
  517   2HG   MET  71          2HG       MET  71  -4.491   1.799  -3.440
  518   1HE   MET  71          3HE       MET  71  -2.118   2.269  -3.530
  519   2HE   MET  71          1HE       MET  71  -1.111   2.019  -4.976
  520   3HE   MET  71          2HE       MET  71  -2.578   3.024  -5.075
  521    H    MET  72           H        MET  72  -7.111  -2.688  -3.785
  522    HA   MET  72           HA       MET  72  -6.090  -3.932  -6.071
  523   1HB   MET  72          1HB       MET  72  -7.913  -4.933  -3.813
  524   2HB   MET  72          2HB       MET  72  -7.149  -5.996  -4.978
  525   1HG   MET  72          1HG       MET  72  -5.200  -4.150  -3.768
  526   2HG   MET  72          2HG       MET  72  -6.031  -5.094  -2.549
  527   1HE   MET  72          1HE       MET  72  -3.827  -4.663  -5.235
  528   2HE   MET  72          2HE       MET  72  -2.581  -5.788  -4.643
  529   3HE   MET  72          3HE       MET  72  -3.565  -6.217  -6.062
  530    H    ALA  73           H        ALA  73  -9.414  -3.103  -4.962
  531    HA   ALA  73           HA       ALA  73 -10.758  -4.547  -6.962
  532   1HB   ALA  73          1HB       ALA  73 -11.460  -2.197  -5.176
  533   2HB   ALA  73          2HB       ALA  73 -12.621  -2.884  -6.337
  534   3HB   ALA  73          3HB       ALA  73 -11.970  -3.896  -5.025
  535    H    ARG  74           H        ARG  74  -9.560  -1.145  -6.730
  536    HA   ARG  74           HA       ARG  74 -10.232  -0.895  -9.548
  537   1HB   ARG  74          1HB       ARG  74 -10.117   1.573  -9.165
  538   2HB   ARG  74          2HB       ARG  74 -11.289   0.814  -8.106
  539   1HG   ARG  74          1HG       ARG  74 -10.128   1.384  -6.225
  540   2HG   ARG  74          2HG       ARG  74  -8.601   0.855  -6.902
  541   1HD   ARG  74          1HD       ARG  74  -8.000   2.994  -7.384
  542   2HD   ARG  74          2HD       ARG  74  -9.475   3.259  -8.292
  543    HE   ARG  74           HE       ARG  74 -10.386   3.419  -5.713
  544   1HH1  ARG  74          2HH2      ARG  74  -7.656   4.930  -7.340
  545   2HH1  ARG  74          1HH2      ARG  74  -7.679   6.344  -6.341
  546   1HH2  ARG  74          2HH1      ARG  74 -10.417   5.285  -4.395
  547   2HH2  ARG  74          1HH1      ARG  74  -9.260   6.548  -4.654
  548    H    LYS  75           H        LYS  75  -8.077  -2.367  -9.495
  549    HA   LYS  75           HA       LYS  75  -5.628  -1.366  -8.843
  550   1HB   LYS  75          1HB       LYS  75  -6.694  -3.416 -10.662
  551   2HB   LYS  75          2HB       LYS  75  -5.140  -2.779 -11.163
  552   1HG   LYS  75          1HG       LYS  75  -4.031  -3.656  -9.340
  553   2HG   LYS  75          2HG       LYS  75  -5.363  -3.347  -8.244
  554   1HD   LYS  75          1HD       LYS  75  -5.178  -5.746  -8.450
  555   2HD   LYS  75          2HD       LYS  75  -6.620  -5.276  -9.327
  556   1HE   LYS  75          1HE       LYS  75  -3.988  -5.440 -10.817
  557   2HE   LYS  75          2HE       LYS  75  -4.841  -6.923 -10.435
  558   1HZ   LYS  75          3HZ       LYS  75  -6.828  -5.609 -11.415
  559   2HZ   LYS  75          1HZ       LYS  75  -5.663  -4.748 -12.169
  560   3HZ   LYS  75          2HZ       LYS  75  -5.770  -6.360 -12.406
   
  No H/Q in entry =         560
  Start of MODEL    7
    1    H    MET   0           H        MET   0 -22.286 -17.598   4.313
    2    HA   MET   0           HA       MET   0 -19.823 -18.218   3.660
    3   1HB   MET   0          1HB       MET   0 -19.827 -19.247   6.108
    4   2HB   MET   0          2HB       MET   0 -20.721 -20.569   5.386
    5   1HG   MET   0          1HG       MET   0 -18.908 -21.256   4.046
    6   2HG   MET   0          2HG       MET   0 -18.176 -19.664   4.030
    7   1HE   MET   0          1HE       MET   0 -16.368 -21.289   4.092
    8   2HE   MET   0          2HE       MET   0 -15.357 -20.745   5.452
    9   3HE   MET   0          3HE       MET   0 -15.981 -22.411   5.419
   10    H    ALA   1           H        ALA   1 -22.329 -17.894   2.443
   11    HA   ALA   1           HA       ALA   1 -22.374 -20.205   0.771
   12   1HB   ALA   1          2HB       ALA   1 -24.658 -19.640   2.688
   13   2HB   ALA   1          3HB       ALA   1 -24.884 -20.556   1.179
   14   3HB   ALA   1          1HB       ALA   1 -23.781 -21.167   2.435
   15    H    ASP   2           H        ASP   2 -25.047 -17.924   1.590
   16    HA   ASP   2           HA       ASP   2 -25.191 -17.126  -1.102
   17   1HB   ASP   2          1HB       ASP   2 -26.505 -16.209   1.480
   18   2HB   ASP   2          2HB       ASP   2 -26.790 -15.339  -0.014
   19    H    GLN   3           H        GLN   3 -23.878 -15.559  -2.047
   20    HA   GLN   3           HA       GLN   3 -22.615 -13.814  -2.318
   21   1HB   GLN   3          1HB       GLN   3 -24.638 -12.735  -1.020
   22   2HB   GLN   3          2HB       GLN   3 -23.504 -12.593   0.309
   23   1HG   GLN   3          1HG       GLN   3 -22.169 -11.032  -0.799
   24   2HG   GLN   3          2HG       GLN   3 -22.555 -11.662  -2.389
   25   1HE2  GLN   3          2HE2      GLN   3 -25.128  -9.041  -0.457
   26   2HE2  GLN   3          1HE2      GLN   3 -24.033 -10.059   0.417
   27    H    LEU   4           H        LEU   4 -20.415 -13.848  -2.132
   28    HA   LEU   4           HA       LEU   4 -19.089 -15.314  -0.246
   29   1HB   LEU   4          1HB       LEU   4 -17.084 -13.977  -0.972
   30   2HB   LEU   4          2HB       LEU   4 -17.979 -14.812  -2.225
   31    HG   LEU   4           HG       LEU   4 -18.901 -12.059  -1.843
   32   1HD1  LEU   4          3HD1      LEU   4 -16.414 -11.940  -1.249
   33   2HD1  LEU   4          1HD1      LEU   4 -16.112 -12.330  -2.959
   34   3HD1  LEU   4          2HD1      LEU   4 -17.011 -10.856  -2.528
   35   1HD2  LEU   4          1HD2      LEU   4 -18.320 -13.966  -4.029
   36   2HD2  LEU   4          2HD2      LEU   4 -19.667 -12.821  -3.819
   37   3HD2  LEU   4          3HD2      LEU   4 -18.095 -12.244  -4.420
   38    H    THR   5           H        THR   5 -17.209 -14.160   1.181
   39    HA   THR   5           HA       THR   5 -18.199 -11.827   2.564
   40    HB   THR   5           HB       THR   5 -18.860 -12.876   4.542
   41    HG1  THR   5           HG1      THR   5 -17.334 -14.280   5.312
   42   1HG2  THR   5          1HG2      THR   5 -19.089 -15.203   2.561
   43   2HG2  THR   5          2HG2      THR   5 -19.922 -15.106   4.131
   44   3HG2  THR   5          3HG2      THR   5 -20.329 -13.956   2.834
   45    H    GLU   6           H        GLU   6 -16.594 -12.154   4.900
   46    HA   GLU   6           HA       GLU   6 -14.300 -11.048   4.134
   47   1HB   GLU   6          1HB       GLU   6 -14.712 -12.957   6.477
   48   2HB   GLU   6          2HB       GLU   6 -13.337 -11.883   6.316
   49   1HG   GLU   6          1HG       GLU   6 -14.956  -9.926   6.179
   50   2HG   GLU   6          2HG       GLU   6 -16.267 -11.043   6.505
   51    H    GLU   7           H        GLU   7 -15.086 -14.537   4.153
   52    HA   GLU   7           HA       GLU   7 -12.755 -15.754   4.054
   53   1HB   GLU   7          1HB       GLU   7 -15.262 -16.148   2.417
   54   2HB   GLU   7          2HB       GLU   7 -13.875 -17.168   2.094
   55   1HG   GLU   7          1HG       GLU   7 -14.168 -17.069   4.944
   56   2HG   GLU   7          2HG       GLU   7 -15.772 -17.325   4.287
   57    H    GLN   8           H        GLN   8 -14.160 -13.780   1.387
   58    HA   GLN   8           HA       GLN   8 -12.108 -14.415  -0.422
   59   1HB   GLN   8          1HB       GLN   8 -14.529 -12.805  -0.370
   60   2HB   GLN   8          2HB       GLN   8 -13.234 -11.891  -1.118
   61   1HG   GLN   8          1HG       GLN   8 -13.798 -13.048  -3.009
   62   2HG   GLN   8          2HG       GLN   8 -12.845 -14.339  -2.305
   63   1HE2  GLN   8          2HE2      GLN   8 -15.783 -16.028  -0.896
   64   2HE2  GLN   8          1HE2      GLN   8 -14.257 -15.401  -0.368
   65    H    ILE   9           H        ILE   9 -12.763 -11.593   1.756
   66    HA   ILE   9           HA       ILE   9 -10.616 -10.038   0.997
   67    HB   ILE   9           HB       ILE   9 -12.674  -9.851   2.764
   68   1HG1  ILE   9          1HG1      ILE   9 -11.276  -7.670   3.458
   69   2HG1  ILE   9          2HG1      ILE   9 -10.307  -8.167   2.085
   70   1HG2  ILE   9          1HG2      ILE   9 -10.129 -10.062   4.393
   71   2HG2  ILE   9          2HG2      ILE   9 -11.656  -9.358   4.978
   72   3HG2  ILE   9          3HG2      ILE   9 -11.584 -11.078   4.523
   73   1HD1  ILE   9          2HD1      ILE   9 -13.270  -8.241   1.671
   74   2HD1  ILE   9          3HD1      ILE   9 -12.536  -6.629   1.845
   75   3HD1  ILE   9          1HD1      ILE   9 -11.978  -7.727   0.560
   76    H    ALA  10           H        ALA  10 -10.820 -12.669   3.470
   77    HA   ALA  10           HA       ALA  10  -8.437 -12.524   4.666
   78   1HB   ALA  10          3HB       ALA  10 -10.170 -14.266   5.029
   79   2HB   ALA  10          1HB       ALA  10  -9.686 -15.049   3.505
   80   3HB   ALA  10          2HB       ALA  10  -8.543 -14.969   4.868
   81    H    GLU  11           H        GLU  11  -9.059 -13.545   1.281
   82    HA   GLU  11           HA       GLU  11  -6.447 -14.440   0.832
   83   1HB   GLU  11          1HB       GLU  11  -8.529 -13.427  -1.156
   84   2HB   GLU  11          2HB       GLU  11  -7.095 -14.344  -1.575
   85   1HG   GLU  11          1HG       GLU  11  -7.882 -16.275  -0.261
   86   2HG   GLU  11          2HG       GLU  11  -9.250 -15.358   0.338
   87    H    PHE  12           H        PHE  12  -8.150 -11.307   0.199
   88    HA   PHE  12           HA       PHE  12  -6.099 -10.031  -1.127
   89   1HB   PHE  12          1HB       PHE  12  -8.342  -9.204   0.786
   90   2HB   PHE  12          2HB       PHE  12  -7.296  -7.981   0.093
   91    HD1  PHE  12           HD2      PHE  12  -9.708 -10.654  -0.770
   92    HD2  PHE  12           HD1      PHE  12  -7.633  -7.203  -2.109
   93    HE1  PHE  12           HE2      PHE  12 -11.146 -10.587  -2.826
   94    HE2  PHE  12           HE1      PHE  12  -9.071  -7.136  -4.166
   95    HZ   PHE  12           HZ       PHE  12 -10.810  -8.829  -4.499
   96    H    LYS  13           H        LYS  13  -6.555 -10.698   2.345
   97    HA   LYS  13           HA       LYS  13  -5.049  -8.872   3.583
   98   1HB   LYS  13          1HB       LYS  13  -5.080 -11.870   4.024
   99   2HB   LYS  13          2HB       LYS  13  -4.363 -10.728   5.143
  100   1HG   LYS  13          1HG       LYS  13  -6.660  -9.501   5.101
  101   2HG   LYS  13          2HG       LYS  13  -7.286 -10.937   4.315
  102   1HD   LYS  13          1HD       LYS  13  -6.978 -12.289   6.211
  103   2HD   LYS  13          2HD       LYS  13  -5.675 -11.300   6.841
  104   1HE   LYS  13          1HE       LYS  13  -7.125  -9.740   7.807
  105   2HE   LYS  13          2HE       LYS  13  -8.388 -10.012   6.622
  106   1HZ   LYS  13          1HZ       LYS  13  -7.922 -12.366   8.057
  107   2HZ   LYS  13          2HZ       LYS  13  -8.174 -11.145   9.111
  108   3HZ   LYS  13          3HZ       LYS  13  -9.291 -11.480   7.967
  109    H    GLU  14           H        GLU  14  -3.596 -11.941   2.275
  110    HA   GLU  14           HA       GLU  14  -1.021 -11.308   2.639
  111   1HB   GLU  14          1HB       GLU  14  -2.301 -12.782   0.298
  112   2HB   GLU  14          2HB       GLU  14  -0.573 -12.770   0.593
  113   1HG   GLU  14          1HG       GLU  14  -1.418 -13.486   3.081
  114   2HG   GLU  14          2HG       GLU  14  -2.759 -14.120   2.147
  115    H    ALA  15           H        ALA  15  -3.197 -10.160   0.027
  116    HA   ALA  15           HA       ALA  15  -1.292  -9.045  -1.644
  117   1HB   ALA  15          2HB       ALA  15  -4.042  -9.275  -1.557
  118   2HB   ALA  15          3HB       ALA  15  -3.805  -7.523  -1.351
  119   3HB   ALA  15          1HB       ALA  15  -3.129  -8.351  -2.774
  120    H    PHE  16           H        PHE  16  -3.186  -7.482   1.040
  121    HA   PHE  16           HA       PHE  16  -1.934  -5.024   0.877
  122   1HB   PHE  16          1HB       PHE  16  -4.019  -5.708   2.184
  123   2HB   PHE  16          2HB       PHE  16  -3.001  -6.599   3.298
  124    HD1  PHE  16           HD1      PHE  16  -3.695  -3.184   2.025
  125    HD2  PHE  16           HD2      PHE  16  -2.022  -5.526   5.143
  126    HE1  PHE  16           HE1      PHE  16  -3.432  -1.122   3.432
  127    HE2  PHE  16           HE2      PHE  16  -1.759  -3.464   6.550
  128    HZ   PHE  16           HZ       PHE  16  -2.467  -1.287   5.678
  129    H    SER  17           H        SER  17  -0.972  -8.049   2.550
  130    HA   SER  17           HA       SER  17   0.938  -6.995   4.200
  131   1HB   SER  17          1HB       SER  17   0.052  -9.390   4.101
  132   2HB   SER  17          2HB       SER  17   1.134  -9.669   2.751
  133    HG   SER  17           HG       SER  17   2.042 -10.313   4.835
  134    H    LEU  18           H        LEU  18   1.272  -8.282   0.816
  135    HA   LEU  18           HA       LEU  18   3.889  -8.099   0.374
  136   1HB   LEU  18          1HB       LEU  18   1.477  -7.850  -1.211
  137   2HB   LEU  18          2HB       LEU  18   2.772  -6.877  -1.880
  138    HG   LEU  18           HG       LEU  18   4.103  -9.208  -1.418
  139   1HD1  LEU  18          3HD1      LEU  18   1.461  -9.949  -0.989
  140   2HD1  LEU  18          1HD1      LEU  18   1.792 -10.471  -2.658
  141   3HD1  LEU  18          2HD1      LEU  18   2.832 -11.032  -1.327
  142   1HD2  LEU  18          2HD2      LEU  18   2.601  -8.237  -3.849
  143   2HD2  LEU  18          3HD2      LEU  18   4.334  -8.089  -3.471
  144   3HD2  LEU  18          1HD2      LEU  18   3.646  -9.678  -3.884
  145    H    PHE  19           H        PHE  19   1.618  -5.270   0.214
  146    HA   PHE  19           HA       PHE  19   3.746  -3.438  -0.173
  147   1HB   PHE  19          1HB       PHE  19   0.786  -3.350   0.614
  148   2HB   PHE  19          2HB       PHE  19   1.721  -1.869   0.556
  149    HD1  PHE  19           HD2      PHE  19   2.747  -1.160  -1.629
  150    HD2  PHE  19           HD1      PHE  19  -0.044  -4.345  -1.367
  151    HE1  PHE  19           HE2      PHE  19   2.309  -0.979  -4.094
  152    HE2  PHE  19           HE1      PHE  19  -0.482  -4.165  -3.832
  153    HZ   PHE  19           HZ       PHE  19   0.700  -2.484  -5.166
  154    H    ASP  20           H        ASP  20   1.690  -4.397   2.653
  155    HA   ASP  20           HA       ASP  20   3.080  -2.591   4.346
  156   1HB   ASP  20          1HB       ASP  20   0.777  -3.069   4.877
  157   2HB   ASP  20          2HB       ASP  20   1.035  -4.800   4.784
  158    H    LYS  21           H        LYS  21   5.317  -3.249   4.369
  159    HA   LYS  21           HA       LYS  21   6.085  -5.952   4.620
  160   1HB   LYS  21          1HB       LYS  21   7.323  -3.647   3.869
  161   2HB   LYS  21          2HB       LYS  21   7.971  -3.836   5.486
  162   1HG   LYS  21          1HG       LYS  21   7.955  -6.081   3.416
  163   2HG   LYS  21          2HG       LYS  21   9.308  -4.990   3.639
  164   1HD   LYS  21          1HD       LYS  21   8.333  -6.193   6.172
  165   2HD   LYS  21          2HD       LYS  21   8.920  -7.376   5.020
  166   1HE   LYS  21          1HE       LYS  21  11.098  -6.713   5.265
  167   2HE   LYS  21          2HE       LYS  21  10.685  -5.011   5.205
  168   1HZ   LYS  21          1HZ       LYS  21   9.682  -5.985   7.571
  169   2HZ   LYS  21          2HZ       LYS  21  11.193  -6.592   7.446
  170   3HZ   LYS  21          3HZ       LYS  21  10.953  -4.978   7.373
  171    H    ASP  22           H        ASP  22   6.154  -3.184   6.979
  172    HA   ASP  22           HA       ASP  22   7.004  -4.541   9.131
  173   1HB   ASP  22          1HB       ASP  22   4.711  -2.532   9.229
  174   2HB   ASP  22          2HB       ASP  22   5.890  -2.842  10.488
  175    H    GLY  23           H        GLY  23   3.940  -4.800   7.416
  176   1HA   GLY  23          1HA       GLY  23   2.131  -6.103   7.691
  177   2HA   GLY  23          2HA       GLY  23   3.116  -7.127   8.716
  178    H    ASP  24           H        ASP  24   2.965  -3.801   9.744
  179    HA   ASP  24           HA       ASP  24   1.872  -4.466  12.178
  180   1HB   ASP  24          1HB       ASP  24   1.577  -1.968  12.444
  181   2HB   ASP  24          2HB       ASP  24   3.181  -2.445  11.924
  182    H    GLY  25           H        GLY  25   0.454  -3.444   9.064
  183   1HA   GLY  25          1HA       GLY  25  -1.872  -4.313   8.814
  184   2HA   GLY  25          2HA       GLY  25  -2.238  -3.445  10.291
  185    H    THR  26           H        THR  26   0.124  -1.616   8.765
  186    HA   THR  26           HA       THR  26  -1.834  -0.145   7.137
  187    HB   THR  26           HB       THR  26  -0.958   1.955   8.149
  188    HG1  THR  26           HG1      THR  26   1.159   1.265   8.726
  189   1HG2  THR  26          3HG2      THR  26  -2.763   0.433   9.405
  190   2HG2  THR  26          1HG2      THR  26  -1.426   0.164  10.549
  191   3HG2  THR  26          2HG2      THR  26  -2.024   1.814  10.250
  192    H    ILE  27           H        ILE  27  -0.945   1.107   5.402
  193    HA   ILE  27           HA       ILE  27   1.775   0.233   4.715
  194    HB   ILE  27           HB       ILE  27  -0.648   0.553   2.946
  195   1HG1  ILE  27          1HG1      ILE  27   1.081  -1.878   3.481
  196   2HG1  ILE  27          2HG1      ILE  27  -0.441  -1.555   4.289
  197   1HG2  ILE  27          2HG2      ILE  27   1.537   1.459   1.991
  198   2HG2  ILE  27          3HG2      ILE  27   2.116  -0.224   2.014
  199   3HG2  ILE  27          1HG2      ILE  27   0.690   0.214   1.043
  200   1HD1  ILE  27          3HD1      ILE  27  -0.126  -1.749   1.258
  201   2HD1  ILE  27          1HD1      ILE  27  -0.681  -3.079   2.303
  202   3HD1  ILE  27          2HD1      ILE  27  -1.654  -1.595   2.157
  203    H    THR  28           H        THR  28   3.030   1.978   5.207
  204    HA   THR  28           HA       THR  28   2.019   4.643   4.863
  205    HB   THR  28           HB       THR  28   3.546   3.976   6.726
  206    HG1  THR  28           HG1      THR  28   3.663   6.163   5.930
  207   1HG2  THR  28          1HG2      THR  28   4.928   2.415   5.018
  208   2HG2  THR  28          2HG2      THR  28   5.842   3.921   4.762
  209   3HG2  THR  28          3HG2      THR  28   5.739   3.209   6.389
  210    H    THR  29           H        THR  29   4.641   5.726   3.950
  211    HA   THR  29           HA       THR  29   4.066   5.460   1.111
  212    HB   THR  29           HB       THR  29   5.858   7.398   1.156
  213    HG1  THR  29           HG1      THR  29   6.662   7.394   3.235
  214   1HG2  THR  29          2HG2      THR  29   3.366   7.820   0.974
  215   2HG2  THR  29          3HG2      THR  29   3.268   7.766   2.750
  216   3HG2  THR  29          1HG2      THR  29   4.203   9.051   1.950
  217    H    LYS  30           H        LYS  30   6.787   4.946   3.424
  218    HA   LYS  30           HA       LYS  30   8.624   4.164   1.466
  219   1HB   LYS  30          1HB       LYS  30   8.500   4.402   4.324
  220   2HB   LYS  30          2HB       LYS  30   9.190   2.842   3.924
  221   1HG   LYS  30          1HG       LYS  30  11.024   3.774   2.799
  222   2HG   LYS  30          2HG       LYS  30  10.158   5.235   2.367
  223   1HD   LYS  30          1HD       LYS  30  10.942   6.307   4.204
  224   2HD   LYS  30          2HD       LYS  30  10.285   5.070   5.257
  225   1HE   LYS  30          1HE       LYS  30  12.371   3.645   4.559
  226   2HE   LYS  30          2HE       LYS  30  13.032   5.150   3.953
  227   1HZ   LYS  30          2HZ       LYS  30  11.937   5.161   6.633
  228   2HZ   LYS  30          3HZ       LYS  30  13.366   4.403   6.409
  229   3HZ   LYS  30          1HZ       LYS  30  13.211   5.984   6.028
  230    H    GLU  31           H        GLU  31   6.150   2.368   3.360
  231    HA   GLU  31           HA       GLU  31   7.013  -0.137   2.412
  232   1HB   GLU  31          1HB       GLU  31   4.381   0.755   3.668
  233   2HB   GLU  31          2HB       GLU  31   4.795  -0.918   3.353
  234   1HG   GLU  31          1HG       GLU  31   6.783  -0.736   4.828
  235   2HG   GLU  31          2HG       GLU  31   6.457   0.965   5.093
  236    H    LEU  32           H        LEU  32   5.216   2.476   1.023
  237    HA   LEU  32           HA       LEU  32   3.810   0.734  -0.830
  238   1HB   LEU  32          1HB       LEU  32   2.811   2.776   0.327
  239   2HB   LEU  32          2HB       LEU  32   3.797   3.745  -0.750
  240    HG   LEU  32           HG       LEU  32   2.524   2.018  -2.497
  241   1HD1  LEU  32          1HD1      LEU  32   0.756   2.537  -0.129
  242   2HD1  LEU  32          2HD1      LEU  32   0.057   2.455  -1.764
  243   3HD1  LEU  32          3HD1      LEU  32   0.951   1.063  -1.107
  244   1HD2  LEU  32          3HD2      LEU  32   2.545   4.832  -1.845
  245   2HD2  LEU  32          1HD2      LEU  32   2.338   4.028  -3.420
  246   3HD2  LEU  32          2HD2      LEU  32   0.925   4.321  -2.377
  247    H    GLY  33           H        GLY  33   6.664   2.816  -0.567
  248   1HA   GLY  33          1HA       GLY  33   7.102   2.777  -3.451
  249   2HA   GLY  33          2HA       GLY  33   8.045   3.618  -2.237
  250    H    THR  34           H        THR  34   7.360   0.454  -1.141
  251    HA   THR  34           HA       THR  34  10.081  -0.366  -1.823
  252    HB   THR  34           HB       THR  34   8.129  -0.786   0.391
  253    HG1  THR  34           HG1      THR  34  10.174   0.323   0.609
  254   1HG2  THR  34          1HG2      THR  34   9.736  -3.051  -0.828
  255   2HG2  THR  34          2HG2      THR  34   9.627  -2.924   0.944
  256   3HG2  THR  34          3HG2      THR  34   8.148  -3.112  -0.028
  257    H    VAL  35           H        VAL  35   6.825  -1.967  -1.637
  258    HA   VAL  35           HA       VAL  35   7.449  -4.195  -3.053
  259    HB   VAL  35           HB       VAL  35   4.999  -2.573  -2.604
  260   1HG1  VAL  35          1HG1      VAL  35   5.187  -4.775  -4.680
  261   2HG1  VAL  35          2HG1      VAL  35   3.658  -4.251  -3.934
  262   3HG1  VAL  35          3HG1      VAL  35   4.614  -3.104  -4.903
  263   1HG2  VAL  35          3HG2      VAL  35   5.752  -5.475  -2.119
  264   2HG2  VAL  35          1HG2      VAL  35   5.714  -4.163  -0.916
  265   3HG2  VAL  35          2HG2      VAL  35   4.201  -4.730  -1.663
  266    H    MET  36           H        MET  36   7.194  -0.876  -4.202
  267    HA   MET  36           HA       MET  36   6.766  -1.524  -6.898
  268   1HB   MET  36          1HB       MET  36   7.969   0.924  -5.494
  269   2HB   MET  36          2HB       MET  36   7.613   0.893  -7.209
  270   1HG   MET  36          1HG       MET  36   5.269  -0.050  -5.803
  271   2HG   MET  36          2HG       MET  36   5.806   1.425  -5.024
  272   1HE   MET  36          3HE       MET  36   3.390   0.355  -6.742
  273   2HE   MET  36          1HE       MET  36   2.946   2.068  -6.549
  274   3HE   MET  36          2HE       MET  36   3.025   1.347  -8.174
  275    H    ARG  37           H        ARG  37   9.698  -0.934  -4.885
  276    HA   ARG  37           HA       ARG  37  11.535  -0.765  -6.870
  277   1HB   ARG  37          1HB       ARG  37  11.863  -2.192  -4.181
  278   2HB   ARG  37          2HB       ARG  37  13.178  -1.581  -5.166
  279   1HG   ARG  37          1HG       ARG  37  12.144   0.742  -4.983
  280   2HG   ARG  37          2HG       ARG  37  10.975   0.080  -3.858
  281   1HD   ARG  37          1HD       ARG  37  14.009   0.044  -3.476
  282   2HD   ARG  37          2HD       ARG  37  12.898   1.130  -2.665
  283    HE   ARG  37           HE       ARG  37  11.867  -1.358  -2.050
  284   1HH1  ARG  37          2HH2      ARG  37  15.069   0.070  -1.755
  285   2HH1  ARG  37          1HH2      ARG  37  15.508  -0.884  -0.378
  286   1HH2  ARG  37          2HH1      ARG  37  12.445  -2.618  -0.233
  287   2HH2  ARG  37          1HH1      ARG  37  14.006  -2.424   0.493
  288    H    SER  38           H        SER  38   9.601  -3.502  -5.874
  289    HA   SER  38           HA       SER  38  11.370  -5.279  -7.358
  290   1HB   SER  38          1HB       SER  38   9.529  -5.662  -5.022
  291   2HB   SER  38          2HB       SER  38   9.637  -6.992  -6.158
  292    HG   SER  38           HG       SER  38  12.163  -6.231  -5.757
  293    H    LEU  39           H        LEU  39   9.493  -3.325  -8.566
  294    HA   LEU  39           HA       LEU  39   7.965  -5.234 -10.127
  295   1HB   LEU  39          1HB       LEU  39   6.675  -4.049  -8.086
  296   2HB   LEU  39          2HB       LEU  39   6.467  -2.810  -9.309
  297    HG   LEU  39           HG       LEU  39   5.852  -5.500 -10.304
  298   1HD1  LEU  39          2HD1      LEU  39   4.239  -4.393  -7.990
  299   2HD1  LEU  39          3HD1      LEU  39   3.706  -5.700  -9.075
  300   3HD1  LEU  39          1HD1      LEU  39   5.138  -5.929  -8.044
  301   1HD2  LEU  39          3HD2      LEU  39   5.357  -3.354 -11.463
  302   2HD2  LEU  39          1HD2      LEU  39   3.933  -4.398 -11.241
  303   3HD2  LEU  39          2HD2      LEU  39   4.171  -2.983 -10.189
  304    H    GLY  40           H        GLY  40  10.417  -3.372 -10.254
  305   1HA   GLY  40          1HA       GLY  40  11.397  -2.193 -11.905
  306   2HA   GLY  40          2HA       GLY  40  10.002  -2.501 -12.920
  307    H    GLN  41           H        GLN  41   9.405  -1.063  -9.762
  308    HA   GLN  41           HA       GLN  41   9.090   1.513 -11.097
  309   1HB   GLN  41          1HB       GLN  41   7.281   0.073  -9.138
  310   2HB   GLN  41          2HB       GLN  41   7.231   1.821  -9.260
  311   1HG   GLN  41          1HG       GLN  41   6.855   1.587 -11.757
  312   2HG   GLN  41          2HG       GLN  41   6.782  -0.152 -11.549
  313   1HE2  GLN  41          2HE2      GLN  41   3.536  -0.305 -10.301
  314   2HE2  GLN  41          1HE2      GLN  41   5.018  -1.117 -10.678
  315    H    ASN  42           H        ASN  42   8.857   3.339  -9.244
  316    HA   ASN  42           HA       ASN  42  10.030   2.959  -6.808
  317   1HB   ASN  42          1HB       ASN  42  12.036   2.553  -8.563
  318   2HB   ASN  42          2HB       ASN  42  12.081   4.304  -8.587
  319   1HD2  ASN  42          2HD2      ASN  42  14.063   2.411  -5.775
  320   2HD2  ASN  42          1HD2      ASN  42  13.636   1.866  -7.363
  321    HA   PRO  43           HA       PRO  43   8.308   7.048  -8.036
  322   1HB   PRO  43          1HB       PRO  43   6.027   7.001  -6.531
  323   2HB   PRO  43          2HB       PRO  43   6.072   6.525  -8.217
  324   1HG   PRO  43          1HG       PRO  43   5.890   4.815  -5.812
  325   2HG   PRO  43          2HG       PRO  43   5.515   4.413  -7.476
  326   1HD   PRO  43          1HD       PRO  43   7.863   3.652  -6.015
  327   2HD   PRO  43          2HD       PRO  43   7.540   3.350  -7.710
  328    H    THR  44           H        THR  44   8.488   9.044  -7.016
  329    HA   THR  44           HA       THR  44  10.038   8.890  -4.633
  330    HB   THR  44           HB       THR  44   9.982  11.388  -4.883
  331    HG1  THR  44           HG1      THR  44   8.103  12.050  -5.846
  332   1HG2  THR  44          3HG2      THR  44  11.321   9.799  -6.556
  333   2HG2  THR  44          1HG2      THR  44  10.080  10.321  -7.721
  334   3HG2  THR  44          2HG2      THR  44  11.134  11.527  -6.944
  335    H    GLU  45           H        GLU  45   9.528  10.093  -2.611
  336    HA   GLU  45           HA       GLU  45   7.283   9.044  -1.466
  337   1HB   GLU  45          1HB       GLU  45   9.333  11.065  -0.746
  338   2HB   GLU  45          2HB       GLU  45   7.814  11.264   0.105
  339   1HG   GLU  45          1HG       GLU  45   8.259   8.485   0.187
  340   2HG   GLU  45          2HG       GLU  45   9.860   9.163   0.401
  341    H    ALA  46           H        ALA  46   7.674  11.924  -3.449
  342    HA   ALA  46           HA       ALA  46   5.364  13.285  -2.536
  343   1HB   ALA  46          3HB       ALA  46   7.412  14.189  -3.810
  344   2HB   ALA  46          1HB       ALA  46   6.649  13.520  -5.273
  345   3HB   ALA  46          2HB       ALA  46   5.813  14.775  -4.328
  346    H    GLU  47           H        GLU  47   6.083  11.092  -5.332
  347    HA   GLU  47           HA       GLU  47   3.584  11.222  -6.457
  348   1HB   GLU  47          1HB       GLU  47   5.423  10.239  -7.672
  349   2HB   GLU  47          2HB       GLU  47   5.690   9.027  -6.434
  350   1HG   GLU  47          1HG       GLU  47   4.063   7.653  -7.262
  351   2HG   GLU  47          2HG       GLU  47   2.923   8.970  -7.456
  352    H    LEU  48           H        LEU  48   4.910   8.680  -4.211
  353    HA   LEU  48           HA       LEU  48   2.695   7.151  -3.930
  354   1HB   LEU  48          1HB       LEU  48   4.625   7.940  -1.744
  355   2HB   LEU  48          2HB       LEU  48   3.570   6.541  -1.732
  356    HG   LEU  48           HG       LEU  48   5.532   6.855  -3.980
  357   1HD1  LEU  48          1HD1      LEU  48   6.447   7.076  -1.409
  358   2HD1  LEU  48          2HD1      LEU  48   6.553   5.321  -1.690
  359   3HD1  LEU  48          3HD1      LEU  48   7.383   6.450  -2.788
  360   1HD2  LEU  48          2HD2      LEU  48   4.391   4.459  -2.516
  361   2HD2  LEU  48          3HD2      LEU  48   3.901   5.063  -4.117
  362   3HD2  LEU  48          1HD2      LEU  48   5.534   4.395  -3.879
  363    H    GLN  49           H        GLN  49   3.532   9.983  -1.805
  364    HA   GLN  49           HA       GLN  49   1.401  10.048  -0.245
  365   1HB   GLN  49          1HB       GLN  49   3.421  11.806  -0.843
  366   2HB   GLN  49          2HB       GLN  49   2.040  12.707  -1.438
  367   1HG   GLN  49          1HG       GLN  49   2.044  13.392   0.791
  368   2HG   GLN  49          2HG       GLN  49   0.949  12.028   0.893
  369   1HE2  GLN  49          2HE2      GLN  49   2.809  10.548   3.393
  370   2HE2  GLN  49          1HE2      GLN  49   1.285  11.028   2.724
  371    H    ASP  50           H        ASP  50   1.515  11.373  -3.618
  372    HA   ASP  50           HA       ASP  50  -1.066  12.338  -3.621
  373   1HB   ASP  50          1HB       ASP  50   1.091  11.948  -5.489
  374   2HB   ASP  50          2HB       ASP  50  -0.359  11.310  -6.237
  375    H    MET  51           H        MET  51   0.374   9.132  -4.461
  376    HA   MET  51           HA       MET  51  -1.974   8.039  -5.501
  377   1HB   MET  51          1HB       MET  51   0.416   6.658  -4.157
  378   2HB   MET  51          2HB       MET  51  -0.727   5.875  -5.230
  379   1HG   MET  51          1HG       MET  51   0.031   7.124  -7.139
  380   2HG   MET  51          2HG       MET  51   0.856   8.308  -6.145
  381   1HE   MET  51          1HE       MET  51   1.053   5.849  -8.398
  382   2HE   MET  51          2HE       MET  51   2.694   5.163  -8.321
  383   3HE   MET  51          3HE       MET  51   1.349   4.351  -7.485
  384    H    ILE  52           H        ILE  52  -0.342   7.572  -2.279
  385    HA   ILE  52           HA       ILE  52  -2.126   5.913  -1.109
  386    HB   ILE  52           HB       ILE  52  -0.366   8.103  -0.106
  387   1HG1  ILE  52          1HG1      ILE  52  -0.401   5.121  -0.164
  388   2HG1  ILE  52          2HG1      ILE  52   0.908   6.238  -0.494
  389   1HG2  ILE  52          2HG2      ILE  52  -2.307   6.544   1.622
  390   2HG2  ILE  52          3HG2      ILE  52  -0.946   7.520   2.225
  391   3HG2  ILE  52          1HG2      ILE  52  -2.286   8.303   1.353
  392   1HD1  ILE  52          1HD1      ILE  52  -0.253   5.656   2.270
  393   2HD1  ILE  52          2HD1      ILE  52   1.288   5.030   1.636
  394   3HD1  ILE  52          3HD1      ILE  52   1.088   6.775   1.928
  395    H    ASN  53           H        ASN  53  -2.379   9.506  -1.423
  396    HA   ASN  53           HA       ASN  53  -4.569   9.924   0.076
  397   1HB   ASN  53          1HB       ASN  53  -3.387  11.181  -2.368
  398   2HB   ASN  53          2HB       ASN  53  -5.073  11.575  -2.097
  399   1HD2  ASN  53          2HD2      ASN  53  -2.607  13.903  -0.333
  400   2HD2  ASN  53          1HD2      ASN  53  -2.636  13.204  -1.918
  401    H    GLU  54           H        GLU  54  -4.293   8.570  -3.247
  402    HA   GLU  54           HA       GLU  54  -6.958   8.704  -3.940
  403   1HB   GLU  54          1HB       GLU  54  -4.914   6.591  -4.757
  404   2HB   GLU  54          2HB       GLU  54  -6.395   6.966  -5.615
  405   1HG   GLU  54          1HG       GLU  54  -5.402   9.452  -5.602
  406   2HG   GLU  54          2HG       GLU  54  -3.878   8.621  -5.363
  407    H    VAL  55           H        VAL  55  -5.134   6.384  -1.928
  408    HA   VAL  55           HA       VAL  55  -7.639   4.900  -1.526
  409    HB   VAL  55           HB       VAL  55  -5.748   3.247  -0.569
  410   1HG1  VAL  55          2HG1      VAL  55  -7.296   3.500  -3.020
  411   2HG1  VAL  55          3HG1      VAL  55  -5.772   2.623  -3.296
  412   3HG1  VAL  55          1HG1      VAL  55  -6.915   2.053  -2.056
  413   1HG2  VAL  55          3HG2      VAL  55  -3.981   4.947  -1.300
  414   2HG2  VAL  55          1HG2      VAL  55  -3.744   3.261  -1.821
  415   3HG2  VAL  55          2HG2      VAL  55  -4.370   4.468  -2.970
  416    H    ASP  56           H        ASP  56  -6.952   7.468  -0.275
  417    HA   ASP  56           HA       ASP  56  -7.202   6.553   2.426
  418   1HB   ASP  56          1HB       ASP  56  -4.884   6.819   2.619
  419   2HB   ASP  56          2HB       ASP  56  -4.815   8.054   1.378
  420    H    ALA  57           H        ALA  57  -9.234   7.583   2.637
  421    HA   ALA  57           HA       ALA  57  -9.474  10.324   1.673
  422   1HB   ALA  57          1HB       ALA  57 -11.139   8.269   1.340
  423   2HB   ALA  57          2HB       ALA  57 -11.724   8.789   2.938
  424   3HB   ALA  57          3HB       ALA  57 -11.749   9.925   1.569
  425    H    ASP  58           H        ASP  58  -8.646   8.565   4.491
  426    HA   ASP  58           HA       ASP  58  -9.909  10.270   6.353
  427   1HB   ASP  58          1HB       ASP  58  -9.160   8.720   7.843
  428   2HB   ASP  58          2HB       ASP  58  -8.625   7.809   6.445
  429    H    GLY  59           H        GLY  59  -6.661   9.949   4.807
  430   1HA   GLY  59          1HA       GLY  59  -5.130  11.595   4.410
  431   2HA   GLY  59          2HA       GLY  59  -6.067  12.723   5.371
  432    H    ASN  60           H        ASN  60  -5.107   9.463   6.515
  433    HA   ASN  60           HA       ASN  60  -3.893  10.665   8.779
  434   1HB   ASN  60          1HB       ASN  60  -3.568   8.333   9.540
  435   2HB   ASN  60          2HB       ASN  60  -5.191   8.517   8.903
  436   1HD2  ASN  60          2HD2      ASN  60  -3.482   5.403   7.610
  437   2HD2  ASN  60          1HD2      ASN  60  -3.693   6.107   9.179
  438    H    GLY  61           H        GLY  61  -2.937   9.621   5.595
  439   1HA   GLY  61          1HA       GLY  61  -0.831  10.153   4.711
  440   2HA   GLY  61          2HA       GLY  61  -0.107   9.986   6.298
  441    H    THR  62           H        THR  62  -1.662   7.440   6.876
  442    HA   THR  62           HA       THR  62   0.040   5.673   5.258
  443    HB   THR  62           HB       THR  62  -1.358   4.879   7.827
  444    HG1  THR  62           HG1      THR  62   0.260   6.078   8.944
  445   1HG2  THR  62          3HG2      THR  62   0.139   3.263   6.553
  446   2HG2  THR  62          1HG2      THR  62   1.480   4.414   6.773
  447   3HG2  THR  62          2HG2      THR  62   0.733   3.636   8.189
  448    H    ILE  63           H        ILE  63  -0.922   3.407   4.925
  449    HA   ILE  63           HA       ILE  63  -3.718   3.780   4.100
  450    HB   ILE  63           HB       ILE  63  -1.468   2.245   2.806
  451   1HG1  ILE  63          1HG1      ILE  63  -2.071   4.866   2.530
  452   2HG1  ILE  63          2HG1      ILE  63  -1.358   3.882   1.267
  453   1HG2  ILE  63          3HG2      ILE  63  -4.439   2.159   2.245
  454   2HG2  ILE  63          1HG2      ILE  63  -3.198   1.638   1.080
  455   3HG2  ILE  63          2HG2      ILE  63  -3.353   0.807   2.646
  456   1HD1  ILE  63          3HD1      ILE  63  -4.375   4.116   1.602
  457   2HD1  ILE  63          1HD1      ILE  63  -3.434   5.259   0.613
  458   3HD1  ILE  63          2HD1      ILE  63  -3.471   3.531   0.184
  459    H    ASP  64           H        ASP  64  -5.213   2.147   4.581
  460    HA   ASP  64           HA       ASP  64  -4.152   0.163   6.434
  461   1HB   ASP  64          1HB       ASP  64  -6.993   1.264   6.206
  462   2HB   ASP  64          2HB       ASP  64  -6.446   0.111   7.406
  463    H    PHE  65           H        PHE  65  -6.298  -1.632   6.521
  464    HA   PHE  65           HA       PHE  65  -6.044  -2.944   4.020
  465   1HB   PHE  65          1HB       PHE  65  -6.316  -3.860   6.464
  466   2HB   PHE  65          2HB       PHE  65  -8.012  -3.444   6.326
  467    HD1  PHE  65           HD2      PHE  65  -5.698  -5.004   3.849
  468    HD2  PHE  65           HD1      PHE  65  -9.180  -5.439   6.235
  469    HE1  PHE  65           HE2      PHE  65  -6.156  -7.226   2.776
  470    HE2  PHE  65           HE1      PHE  65  -9.638  -7.661   5.162
  471    HZ   PHE  65           HZ       PHE  65  -8.121  -8.528   3.445
  472    HA   PRO  66           HA       PRO  66 -10.599  -1.642   3.711
  473   1HB   PRO  66          1HB       PRO  66 -11.533   0.359   5.321
  474   2HB   PRO  66          2HB       PRO  66 -11.745  -1.342   5.685
  475   1HG   PRO  66          1HG       PRO  66  -9.882   0.598   6.912
  476   2HG   PRO  66          2HG       PRO  66 -10.409  -0.956   7.525
  477   1HD   PRO  66          1HD       PRO  66  -7.879  -0.358   6.312
  478   2HD   PRO  66          2HD       PRO  66  -8.451  -1.935   6.820
  479    H    GLU  67           H        GLU  67  -7.937   0.348   3.910
  480    HA   GLU  67           HA       GLU  67  -9.232   2.337   2.243
  481   1HB   GLU  67          1HB       GLU  67  -6.374   2.491   3.240
  482   2HB   GLU  67          2HB       GLU  67  -7.444   3.805   2.793
  483   1HG   GLU  67          1HG       GLU  67  -8.369   2.037   5.037
  484   2HG   GLU  67          2HG       GLU  67  -6.996   3.071   5.376
  485    H    PHE  68           H        PHE  68  -6.883  -0.310   2.225
  486    HA   PHE  68           HA       PHE  68  -5.931   0.437  -0.411
  487   1HB   PHE  68          1HB       PHE  68  -4.183  -0.461   0.913
  488   2HB   PHE  68          2HB       PHE  68  -5.277  -1.470   1.838
  489    HD1  PHE  68           HD2      PHE  68  -6.197  -3.571   0.724
  490    HD2  PHE  68           HD1      PHE  68  -2.945  -1.358  -0.868
  491    HE1  PHE  68           HE2      PHE  68  -5.505  -5.565  -0.633
  492    HE2  PHE  68           HE1      PHE  68  -2.253  -3.353  -2.226
  493    HZ   PHE  68           HZ       PHE  68  -3.541  -5.432  -2.093
  494    H    LEU  69           H        LEU  69  -8.023  -1.965   1.231
  495    HA   LEU  69           HA       LEU  69  -8.286  -3.913  -0.589
  496   1HB   LEU  69          1HB       LEU  69 -10.182  -2.565   1.270
  497   2HB   LEU  69          2HB       LEU  69 -10.846  -3.690   0.102
  498    HG   LEU  69           HG       LEU  69  -8.583  -4.432   1.965
  499   1HD1  LEU  69          2HD1      LEU  69 -11.250  -3.837   2.713
  500   2HD1  LEU  69          3HD1      LEU  69 -11.068  -5.607   2.770
  501   3HD1  LEU  69          1HD1      LEU  69  -9.959  -4.567   3.697
  502   1HD2  LEU  69          1HD2      LEU  69  -9.170  -5.743  -0.201
  503   2HD2  LEU  69          2HD2      LEU  69  -8.916  -6.629   1.322
  504   3HD2  LEU  69          3HD2      LEU  69 -10.568  -6.322   0.736
  505    H    THR  70           H        THR  70  -9.556  -0.569  -0.837
  506    HA   THR  70           HA       THR  70 -11.173  -0.970  -3.081
  507    HB   THR  70           HB       THR  70 -11.325   1.037  -1.690
  508    HG1  THR  70           HG1      THR  70 -11.694   1.285  -4.012
  509   1HG2  THR  70          3HG2      THR  70  -8.566   0.973  -1.513
  510   2HG2  THR  70          1HG2      THR  70  -8.800   2.230  -2.751
  511   3HG2  THR  70          2HG2      THR  70  -9.547   2.412  -1.145
  512    H    MET  71           H        MET  71  -7.677  -0.099  -2.820
  513    HA   MET  71           HA       MET  71  -7.145   0.404  -5.394
  514   1HB   MET  71          1HB       MET  71  -5.706  -0.271  -3.038
  515   2HB   MET  71          2HB       MET  71  -5.142  -1.431  -4.224
  516   1HG   MET  71          1HG       MET  71  -5.281   1.168  -5.497
  517   2HG   MET  71          2HG       MET  71  -4.421   1.345  -3.980
  518   1HE   MET  71          1HE       MET  71  -4.741   0.321  -7.293
  519   2HE   MET  71          2HE       MET  71  -3.049   0.710  -7.685
  520   3HE   MET  71          3HE       MET  71  -3.593  -0.985  -7.670
  521    H    MET  72           H        MET  72  -6.957  -2.907  -3.885
  522    HA   MET  72           HA       MET  72  -6.399  -4.250  -6.197
  523   1HB   MET  72          1HB       MET  72  -8.007  -5.080  -3.719
  524   2HB   MET  72          2HB       MET  72  -7.462  -6.228  -4.926
  525   1HG   MET  72          1HG       MET  72  -5.274  -4.467  -4.022
  526   2HG   MET  72          2HG       MET  72  -5.997  -5.347  -2.690
  527   1HE   MET  72          1HE       MET  72  -3.894  -5.031  -5.382
  528   2HE   MET  72          2HE       MET  72  -2.761  -6.308  -4.879
  529   3HE   MET  72          3HE       MET  72  -3.791  -6.546  -6.311
  530    H    ALA  73           H        ALA  73  -9.554  -3.188  -4.850
  531    HA   ALA  73           HA       ALA  73 -11.138  -4.669  -6.654
  532   1HB   ALA  73          1HB       ALA  73 -11.464  -2.564  -4.598
  533   2HB   ALA  73          2HB       ALA  73 -12.672  -2.515  -5.904
  534   3HB   ALA  73          3HB       ALA  73 -12.465  -3.996  -4.939
  535    H    ARG  74           H        ARG  74  -9.820  -1.301  -6.637
  536    HA   ARG  74           HA       ARG  74 -10.726  -1.116  -9.394
  537   1HB   ARG  74          1HB       ARG  74 -10.516   1.356  -9.104
  538   2HB   ARG  74          2HB       ARG  74 -11.607   0.666  -7.920
  539   1HG   ARG  74          1HG       ARG  74 -10.257   1.234  -6.165
  540   2HG   ARG  74          2HG       ARG  74  -8.807   0.684  -6.981
  541   1HD   ARG  74          1HD       ARG  74  -8.239   2.839  -7.408
  542   2HD   ARG  74          2HD       ARG  74  -9.677   3.019  -8.393
  543    HE   ARG  74           HE       ARG  74 -10.359   3.214  -5.591
  544   1HH1  ARG  74          2HH2      ARG  74  -8.870   5.027  -8.214
  545   2HH1  ARG  74          1HH2      ARG  74  -9.262   6.573  -7.538
  546   1HH2  ARG  74          2HH1      ARG  74 -10.877   5.254  -4.700
  547   2HH2  ARG  74          1HH1      ARG  74 -10.411   6.703  -5.526
  548    H    LYS  75           H        LYS  75  -8.597  -2.659  -9.424
  549    HA   LYS  75           HA       LYS  75  -6.084  -1.681  -9.037
  550   1HB   LYS  75          1HB       LYS  75  -7.336  -3.856 -10.492
  551   2HB   LYS  75          2HB       LYS  75  -5.955  -3.239 -11.377
  552   1HG   LYS  75          1HG       LYS  75  -4.530  -3.460  -9.347
  553   2HG   LYS  75          2HG       LYS  75  -5.909  -4.025  -8.425
  554   1HD   LYS  75          1HD       LYS  75  -4.710  -5.999  -9.089
  555   2HD   LYS  75          2HD       LYS  75  -6.138  -5.943 -10.102
  556   1HE   LYS  75          1HE       LYS  75  -4.623  -6.251 -11.805
  557   2HE   LYS  75          2HE       LYS  75  -4.430  -4.514 -11.682
  558   1HZ   LYS  75          1HZ       LYS  75  -2.825  -5.826  -9.783
  559   2HZ   LYS  75          2HZ       LYS  75  -2.506  -6.400 -11.278
  560   3HZ   LYS  75          3HZ       LYS  75  -2.378  -4.801 -10.973
   
  No H/Q in entry =         560
  Start of MODEL    8
    1    H    MET   0           H        MET   0 -23.748 -27.283  -3.751
    2    HA   MET   0           HA       MET   0 -23.414 -25.237  -3.024
    3   1HB   MET   0          1HB       MET   0 -23.204 -24.765  -0.528
    4   2HB   MET   0          2HB       MET   0 -24.661 -25.645  -0.946
    5   1HG   MET   0          1HG       MET   0 -22.456 -27.507  -0.444
    6   2HG   MET   0          2HG       MET   0 -22.667 -26.429   0.921
    7   1HE   MET   0          3HE       MET   0 -23.733 -27.456   2.744
    8   2HE   MET   0          1HE       MET   0 -24.914 -28.785   2.683
    9   3HE   MET   0          2HE       MET   0 -23.266 -29.030   2.057
   10    H    ALA   1           H        ALA   1 -21.533 -23.909  -2.839
   11    HA   ALA   1           HA       ALA   1 -19.190 -24.583  -1.582
   12   1HB   ALA   1          2HB       ALA   1 -19.562 -25.898  -4.242
   13   2HB   ALA   1          3HB       ALA   1 -17.972 -25.169  -3.913
   14   3HB   ALA   1          1HB       ALA   1 -18.617 -26.424  -2.828
   15    H    ASP   2           H        ASP   2 -19.227 -22.344  -1.196
   16    HA   ASP   2           HA       ASP   2 -17.886 -20.793  -3.015
   17   1HB   ASP   2          1HB       ASP   2 -20.529 -21.028  -3.826
   18   2HB   ASP   2          2HB       ASP   2 -20.600 -19.577  -2.847
   19    H    GLN   3           H        GLN   3 -16.851 -19.462  -1.521
   20    HA   GLN   3           HA       GLN   3 -18.499 -18.462   0.668
   21   1HB   GLN   3          1HB       GLN   3 -15.552 -19.233   0.828
   22   2HB   GLN   3          2HB       GLN   3 -16.523 -18.612   2.148
   23   1HG   GLN   3          1HG       GLN   3 -17.966 -20.833   1.051
   24   2HG   GLN   3          2HG       GLN   3 -16.296 -21.345   1.190
   25   1HE2  GLN   3          2HE2      GLN   3 -17.017 -22.254   4.476
   26   2HE2  GLN   3          1HE2      GLN   3 -16.628 -22.737   2.859
   27    H    LEU   4           H        LEU   4 -18.921 -16.489  -0.482
   28    HA   LEU   4           HA       LEU   4 -16.578 -14.928  -1.230
   29   1HB   LEU   4          1HB       LEU   4 -18.269 -13.418  -2.246
   30   2HB   LEU   4          2HB       LEU   4 -18.199 -15.031  -2.928
   31    HG   LEU   4           HG       LEU   4 -20.176 -14.926  -0.813
   32   1HD1  LEU   4          2HD1      LEU   4 -19.988 -12.466  -1.973
   33   2HD1  LEU   4          3HD1      LEU   4 -21.183 -13.262  -3.025
   34   3HD1  LEU   4          1HD1      LEU   4 -21.472 -13.154  -1.272
   35   1HD2  LEU   4          3HD2      LEU   4 -19.748 -16.334  -3.119
   36   2HD2  LEU   4          1HD2      LEU   4 -21.263 -16.324  -2.185
   37   3HD2  LEU   4          2HD2      LEU   4 -21.079 -15.251  -3.593
   38    H    THR   5           H        THR   5 -17.664 -12.330  -0.842
   39    HA   THR   5           HA       THR   5 -17.857 -10.736   0.697
   40    HB   THR   5           HB       THR   5 -19.482 -11.088   2.339
   41    HG1  THR   5           HG1      THR   5 -18.357 -13.784   2.600
   42   1HG2  THR   5          2HG2      THR   5 -20.009 -12.585   0.129
   43   2HG2  THR   5          3HG2      THR   5 -19.865 -13.897   1.324
   44   3HG2  THR   5          1HG2      THR   5 -21.071 -12.608   1.557
   45    H    GLU   6           H        GLU   6 -17.536 -11.191   3.672
   46    HA   GLU   6           HA       GLU   6 -15.075 -10.416   4.045
   47   1HB   GLU   6          1HB       GLU   6 -16.767 -12.317   5.675
   48   2HB   GLU   6          2HB       GLU   6 -15.154 -11.918   6.231
   49   1HG   GLU   6          1HG       GLU   6 -15.936  -9.410   5.757
   50   2HG   GLU   6          2HG       GLU   6 -17.544 -10.095   5.882
   51    H    GLU   7           H        GLU   7 -15.940 -13.954   4.010
   52    HA   GLU   7           HA       GLU   7 -13.592 -15.082   4.355
   53   1HB   GLU   7          1HB       GLU   7 -15.628 -15.809   2.206
   54   2HB   GLU   7          2HB       GLU   7 -14.333 -16.873   2.718
   55   1HG   GLU   7          1HG       GLU   7 -15.893 -15.767   4.983
   56   2HG   GLU   7          2HG       GLU   7 -16.865 -16.723   3.882
   57    H    GLN   8           H        GLN   8 -14.671 -13.500   1.297
   58    HA   GLN   8           HA       GLN   8 -12.441 -14.244  -0.184
   59   1HB   GLN   8          1HB       GLN   8 -14.815 -13.011  -0.737
   60   2HB   GLN   8          2HB       GLN   8 -13.745 -11.625  -0.799
   61   1HG   GLN   8          1HG       GLN   8 -13.523 -14.194  -2.428
   62   2HG   GLN   8          2HG       GLN   8 -13.861 -12.585  -3.034
   63   1HE2  GLN   8          2HE2      GLN   8 -10.071 -13.926  -2.484
   64   2HE2  GLN   8          1HE2      GLN   8 -11.498 -14.875  -2.233
   65    H    ILE   9           H        ILE   9 -13.228 -11.153   1.563
   66    HA   ILE   9           HA       ILE   9 -10.956  -9.763   0.994
   67    HB   ILE   9           HB       ILE   9 -13.158  -9.384   2.523
   68   1HG1  ILE   9          1HG1      ILE   9 -11.726  -7.238   3.270
   69   2HG1  ILE   9          2HG1      ILE   9 -10.651  -7.849   2.028
   70   1HG2  ILE   9          1HG2      ILE   9 -10.823  -9.607   4.441
   71   2HG2  ILE   9          2HG2      ILE   9 -12.383  -8.834   4.813
   72   3HG2  ILE   9          3HG2      ILE   9 -12.317 -10.574   4.446
   73   1HD1  ILE   9          1HD1      ILE   9 -13.636  -7.517   1.536
   74   2HD1  ILE   9          2HD1      ILE   9 -12.473  -6.198   1.259
   75   3HD1  ILE   9          3HD1      ILE   9 -12.340  -7.711   0.331
   76    H    ALA  10           H        ALA  10 -11.474 -12.172   3.648
   77    HA   ALA  10           HA       ALA  10  -9.190 -12.017   5.016
   78   1HB   ALA  10          1HB       ALA  10 -11.119 -13.683   5.214
   79   2HB   ALA  10          2HB       ALA  10 -10.275 -14.662   3.990
   80   3HB   ALA  10          3HB       ALA  10  -9.494 -14.327   5.554
   81    H    GLU  11           H        GLU  11  -9.582 -13.277   1.682
   82    HA   GLU  11           HA       GLU  11  -6.991 -14.319   1.523
   83   1HB   GLU  11          1HB       GLU  11  -8.904 -13.397  -0.668
   84   2HB   GLU  11          2HB       GLU  11  -7.441 -14.318  -0.956
   85   1HG   GLU  11          1HG       GLU  11  -8.307 -16.165   0.482
   86   2HG   GLU  11          2HG       GLU  11  -9.760 -15.240   0.808
   87    H    PHE  12           H        PHE  12  -8.472 -11.223   0.323
   88    HA   PHE  12           HA       PHE  12  -6.288 -10.128  -0.863
   89   1HB   PHE  12          1HB       PHE  12  -8.561  -9.030   0.874
   90   2HB   PHE  12          2HB       PHE  12  -7.427  -7.933   0.113
   91    HD1  PHE  12           HD1      PHE  12  -7.088  -9.550  -2.474
   92    HD2  PHE  12           HD2      PHE  12 -10.514  -8.340  -0.282
   93    HE1  PHE  12           HE1      PHE  12  -8.453  -9.600  -4.580
   94    HE2  PHE  12           HE2      PHE  12 -11.879  -8.390  -2.387
   95    HZ   PHE  12           HZ       PHE  12 -10.833  -9.019  -4.511
   96    H    LYS  13           H        LYS  13  -6.901 -10.610   2.597
   97    HA   LYS  13           HA       LYS  13  -5.410  -8.759   3.824
   98   1HB   LYS  13          1HB       LYS  13  -5.540 -11.735   4.381
   99   2HB   LYS  13          2HB       LYS  13  -4.825 -10.573   5.481
  100   1HG   LYS  13          1HG       LYS  13  -7.090  -9.279   5.285
  101   2HG   LYS  13          2HG       LYS  13  -7.724 -10.750   4.574
  102   1HD   LYS  13          1HD       LYS  13  -7.912 -11.732   6.611
  103   2HD   LYS  13          2HD       LYS  13  -6.224 -11.427   6.970
  104   1HE   LYS  13          1HE       LYS  13  -7.966  -9.012   7.116
  105   2HE   LYS  13          2HE       LYS  13  -8.349 -10.251   8.295
  106   1HZ   LYS  13          2HZ       LYS  13  -5.556  -9.578   7.932
  107   2HZ   LYS  13          3HZ       LYS  13  -6.494  -8.494   8.715
  108   3HZ   LYS  13          1HZ       LYS  13  -6.352 -10.016   9.290
  109    H    GLU  14           H        GLU  14  -4.018 -11.874   2.557
  110    HA   GLU  14           HA       GLU  14  -1.425 -11.295   3.049
  111   1HB   GLU  14          1HB       GLU  14  -2.655 -12.829   0.721
  112   2HB   GLU  14          2HB       GLU  14  -0.939 -12.842   1.076
  113   1HG   GLU  14          1HG       GLU  14  -1.906 -13.440   3.560
  114   2HG   GLU  14          2HG       GLU  14  -3.203 -14.103   2.585
  115    H    ALA  15           H        ALA  15  -3.471 -10.240   0.288
  116    HA   ALA  15           HA       ALA  15  -1.530  -9.237  -1.374
  117   1HB   ALA  15          3HB       ALA  15  -4.151  -9.431  -1.550
  118   2HB   ALA  15          1HB       ALA  15  -4.123  -7.765  -0.924
  119   3HB   ALA  15          2HB       ALA  15  -3.294  -8.156  -2.450
  120    H    PHE  16           H        PHE  16  -3.328  -7.481   1.256
  121    HA   PHE  16           HA       PHE  16  -2.007  -5.091   1.030
  122   1HB   PHE  16          1HB       PHE  16  -4.028  -5.778   2.471
  123   2HB   PHE  16          2HB       PHE  16  -2.918  -6.582   3.564
  124    HD1  PHE  16           HD1      PHE  16  -3.856  -3.273   2.194
  125    HD2  PHE  16           HD2      PHE  16  -1.780  -5.373   5.241
  126    HE1  PHE  16           HE1      PHE  16  -3.559  -1.130   3.467
  127    HE2  PHE  16           HE2      PHE  16  -1.483  -3.230   6.515
  128    HZ   PHE  16           HZ       PHE  16  -2.376  -1.135   5.613
  129    H    SER  17           H        SER  17  -0.961  -8.142   2.561
  130    HA   SER  17           HA       SER  17   1.031  -7.134   4.152
  131   1HB   SER  17          1HB       SER  17   1.269  -9.755   2.632
  132   2HB   SER  17          2HB       SER  17   1.888  -9.376   4.227
  133    HG   SER  17           HG       SER  17   0.042 -10.535   4.642
  134    H    LEU  18           H        LEU  18   1.162  -8.298   0.712
  135    HA   LEU  18           HA       LEU  18   3.757  -8.115   0.134
  136   1HB   LEU  18          1HB       LEU  18   1.263  -7.816  -1.305
  137   2HB   LEU  18          2HB       LEU  18   2.517  -6.817  -2.013
  138    HG   LEU  18           HG       LEU  18   3.873  -9.161  -1.702
  139   1HD1  LEU  18          3HD1      LEU  18   1.217  -9.898  -1.208
  140   2HD1  LEU  18          1HD1      LEU  18   1.547 -10.420  -2.878
  141   3HD1  LEU  18          2HD1      LEU  18   2.596 -10.971  -1.549
  142   1HD2  LEU  18          2HD2      LEU  18   2.553  -7.726  -3.890
  143   2HD2  LEU  18          3HD2      LEU  18   4.184  -8.433  -3.791
  144   3HD2  LEU  18          1HD2      LEU  18   2.793  -9.460  -4.213
  145    H    PHE  19           H        PHE  19   1.511  -5.257  -0.015
  146    HA   PHE  19           HA       PHE  19   3.622  -3.435  -0.385
  147   1HB   PHE  19          1HB       PHE  19   0.707  -3.327   0.564
  148   2HB   PHE  19          2HB       PHE  19   1.654  -1.859   0.432
  149    HD1  PHE  19           HD1      PHE  19   0.085  -4.590  -1.451
  150    HD2  PHE  19           HD2      PHE  19   2.206  -0.924  -1.720
  151    HE1  PHE  19           HE1      PHE  19  -0.504  -4.427  -3.885
  152    HE2  PHE  19           HE2      PHE  19   1.616  -0.761  -4.154
  153    HZ   PHE  19           HZ       PHE  19   0.268  -2.515  -5.208
  154    H    ASP  20           H        ASP  20   1.704  -4.458   2.512
  155    HA   ASP  20           HA       ASP  20   3.143  -2.675   4.180
  156   1HB   ASP  20          1HB       ASP  20   0.911  -3.191   4.863
  157   2HB   ASP  20          2HB       ASP  20   1.139  -4.911   4.618
  158    H    LYS  21           H        LYS  21   5.389  -3.250   4.146
  159    HA   LYS  21           HA       LYS  21   6.090  -6.031   4.563
  160   1HB   LYS  21          1HB       LYS  21   8.391  -5.243   4.166
  161   2HB   LYS  21          2HB       LYS  21   7.303  -4.823   2.859
  162   1HG   LYS  21          1HG       LYS  21   7.382  -2.548   3.324
  163   2HG   LYS  21          2HG       LYS  21   7.567  -2.793   5.050
  164   1HD   LYS  21          1HD       LYS  21   9.932  -3.867   4.163
  165   2HD   LYS  21          2HD       LYS  21   9.658  -2.670   2.914
  166   1HE   LYS  21          1HE       LYS  21   9.074  -1.165   5.130
  167   2HE   LYS  21          2HE       LYS  21  10.234  -2.279   5.827
  168   1HZ   LYS  21          3HZ       LYS  21  11.631  -1.702   3.813
  169   2HZ   LYS  21          1HZ       LYS  21  10.631  -0.428   3.601
  170   3HZ   LYS  21          2HZ       LYS  21  11.497  -0.567   4.979
  171    H    ASP  22           H        ASP  22   4.828  -3.869   6.562
  172    HA   ASP  22           HA       ASP  22   6.837  -4.239   8.629
  173   1HB   ASP  22          1HB       ASP  22   4.407  -2.402   8.429
  174   2HB   ASP  22          2HB       ASP  22   5.371  -2.550   9.885
  175    H    GLY  23           H        GLY  23   3.749  -5.291   7.408
  176   1HA   GLY  23          1HA       GLY  23   2.177  -6.705   8.166
  177   2HA   GLY  23          2HA       GLY  23   3.400  -7.342   9.248
  178    H    ASP  24           H        ASP  24   2.835  -3.925   9.607
  179    HA   ASP  24           HA       ASP  24   1.885  -4.339  12.222
  180   1HB   ASP  24          1HB       ASP  24   1.682  -1.817  12.224
  181   2HB   ASP  24          2HB       ASP  24   3.267  -2.406  11.762
  182    H    GLY  25           H        GLY  25   0.508  -3.399   9.034
  183   1HA   GLY  25          1HA       GLY  25  -1.825  -4.208   8.754
  184   2HA   GLY  25          2HA       GLY  25  -2.192  -3.365  10.246
  185    H    THR  26           H        THR  26   0.220  -1.579   8.692
  186    HA   THR  26           HA       THR  26  -1.717  -0.038   7.112
  187    HB   THR  26           HB       THR  26  -0.585   2.029   8.147
  188    HG1  THR  26           HG1      THR  26   1.055   1.486   9.529
  189   1HG2  THR  26          1HG2      THR  26  -2.816   1.033   9.023
  190   2HG2  THR  26          2HG2      THR  26  -1.837   0.227  10.271
  191   3HG2  THR  26          3HG2      THR  26  -1.882   2.004  10.186
  192    H    ILE  27           H        ILE  27  -0.885   1.044   5.305
  193    HA   ILE  27           HA       ILE  27   1.860   0.220   4.654
  194    HB   ILE  27           HB       ILE  27  -0.556   0.541   2.873
  195   1HG1  ILE  27          1HG1      ILE  27   1.128  -1.909   3.466
  196   2HG1  ILE  27          2HG1      ILE  27  -0.399  -1.549   4.247
  197   1HG2  ILE  27          1HG2      ILE  27   1.721   1.369   1.968
  198   2HG2  ILE  27          2HG2      ILE  27   2.155  -0.357   1.925
  199   3HG2  ILE  27          3HG2      ILE  27   0.764   0.234   0.985
  200   1HD1  ILE  27          3HD1      ILE  27  -0.151  -1.656   1.216
  201   2HD1  ILE  27          1HD1      ILE  27  -0.487  -3.107   2.192
  202   3HD1  ILE  27          2HD1      ILE  27  -1.631  -1.744   2.202
  203    H    THR  28           H        THR  28   3.111   1.972   5.142
  204    HA   THR  28           HA       THR  28   2.106   4.633   4.772
  205    HB   THR  28           HB       THR  28   3.647   3.948   6.632
  206    HG1  THR  28           HG1      THR  28   4.187   6.067   6.298
  207   1HG2  THR  28          1HG2      THR  28   5.688   3.685   4.360
  208   2HG2  THR  28          2HG2      THR  28   6.055   3.624   6.101
  209   3HG2  THR  28          3HG2      THR  28   5.088   2.332   5.349
  210    H    THR  29           H        THR  29   4.718   5.714   3.840
  211    HA   THR  29           HA       THR  29   4.130   5.441   1.009
  212    HB   THR  29           HB       THR  29   5.950   7.349   1.032
  213    HG1  THR  29           HG1      THR  29   6.332   8.094   3.183
  214   1HG2  THR  29          1HG2      THR  29   3.235   7.538   2.414
  215   2HG2  THR  29          2HG2      THR  29   4.283   8.963   2.221
  216   3HG2  THR  29          3HG2      THR  29   3.676   8.103   0.785
  217    H    LYS  30           H        LYS  30   6.866   4.887   3.295
  218    HA   LYS  30           HA       LYS  30   8.687   4.089   1.344
  219   1HB   LYS  30          1HB       LYS  30   8.499   4.159   4.240
  220   2HB   LYS  30          2HB       LYS  30   9.290   2.689   3.706
  221   1HG   LYS  30          1HG       LYS  30  11.031   3.857   2.607
  222   2HG   LYS  30          2HG       LYS  30  10.085   5.323   2.444
  223   1HD   LYS  30          1HD       LYS  30  10.807   6.119   4.448
  224   2HD   LYS  30          2HD       LYS  30  10.389   4.628   5.269
  225   1HE   LYS  30          1HE       LYS  30  12.517   3.677   4.935
  226   2HE   LYS  30          2HE       LYS  30  12.845   4.642   3.509
  227   1HZ   LYS  30          3HZ       LYS  30  12.746   6.572   5.185
  228   2HZ   LYS  30          1HZ       LYS  30  13.029   5.418   6.306
  229   3HZ   LYS  30          2HZ       LYS  30  14.098   5.659   5.095
  230    H    GLU  31           H        GLU  31   6.333   2.197   3.340
  231    HA   GLU  31           HA       GLU  31   7.094  -0.262   2.311
  232   1HB   GLU  31          1HB       GLU  31   4.442   0.674   3.490
  233   2HB   GLU  31          2HB       GLU  31   4.820  -1.005   3.161
  234   1HG   GLU  31          1HG       GLU  31   6.706  -0.957   4.727
  235   2HG   GLU  31          2HG       GLU  31   6.547   0.775   4.942
  236    H    LEU  32           H        LEU  32   5.132   2.354   1.008
  237    HA   LEU  32           HA       LEU  32   3.857   0.655  -0.944
  238   1HB   LEU  32          1HB       LEU  32   2.911   2.750   0.237
  239   2HB   LEU  32          2HB       LEU  32   3.861   3.659  -0.923
  240    HG   LEU  32           HG       LEU  32   2.495   1.837  -2.516
  241   1HD1  LEU  32          3HD1      LEU  32   1.079   2.040  -0.037
  242   2HD1  LEU  32          1HD1      LEU  32   0.126   2.831  -1.316
  243   3HD1  LEU  32          2HD1      LEU  32   0.647   1.140  -1.511
  244   1HD2  LEU  32          3HD2      LEU  32   2.602   4.694  -2.056
  245   2HD2  LEU  32          1HD2      LEU  32   2.353   3.788  -3.568
  246   3HD2  LEU  32          2HD2      LEU  32   0.964   4.179  -2.526
  247    H    GLY  33           H        GLY  33   6.594   2.954  -0.690
  248   1HA   GLY  33          1HA       GLY  33   7.125   2.900  -3.524
  249   2HA   GLY  33          2HA       GLY  33   8.082   3.654  -2.264
  250    H    THR  34           H        THR  34   7.298   0.459  -1.332
  251    HA   THR  34           HA       THR  34  10.007  -0.398  -2.004
  252    HB   THR  34           HB       THR  34   8.032  -0.829   0.152
  253    HG1  THR  34           HG1      THR  34  10.851  -1.542  -0.217
  254   1HG2  THR  34          2HG2      THR  34   9.316  -3.180  -1.259
  255   2HG2  THR  34          3HG2      THR  34   9.288  -3.171   0.521
  256   3HG2  THR  34          1HG2      THR  34   7.763  -3.105  -0.393
  257    H    VAL  35           H        VAL  35   6.782  -2.059  -1.926
  258    HA   VAL  35           HA       VAL  35   7.438  -4.123  -3.560
  259    HB   VAL  35           HB       VAL  35   4.926  -2.623  -2.964
  260   1HG1  VAL  35          1HG1      VAL  35   5.137  -4.848  -5.020
  261   2HG1  VAL  35          2HG1      VAL  35   3.618  -4.246  -4.315
  262   3HG1  VAL  35          3HG1      VAL  35   4.625  -3.168  -5.311
  263   1HG2  VAL  35          1HG2      VAL  35   5.836  -4.237  -1.345
  264   2HG2  VAL  35          2HG2      VAL  35   4.262  -4.769  -1.983
  265   3HG2  VAL  35          3HG2      VAL  35   5.762  -5.518  -2.579
  266    H    MET  36           H        MET  36   7.037  -0.725  -4.386
  267    HA   MET  36           HA       MET  36   6.420  -0.989  -7.057
  268   1HB   MET  36          1HB       MET  36   8.058   1.085  -5.504
  269   2HB   MET  36          2HB       MET  36   7.610   1.317  -7.182
  270   1HG   MET  36          1HG       MET  36   5.272   0.519  -5.608
  271   2HG   MET  36          2HG       MET  36   6.038   1.923  -4.892
  272   1HE   MET  36          3HE       MET  36   3.287   1.065  -6.793
  273   2HE   MET  36          1HE       MET  36   3.304   1.877  -8.377
  274   3HE   MET  36          2HE       MET  36   4.317   0.439  -8.104
  275    H    ARG  37           H        ARG  37   9.609  -0.971  -5.360
  276    HA   ARG  37           HA       ARG  37  11.029  -1.103  -7.797
  277   1HB   ARG  37          1HB       ARG  37  12.987  -1.117  -6.440
  278   2HB   ARG  37          2HB       ARG  37  11.836  -0.203  -5.486
  279   1HG   ARG  37          1HG       ARG  37  11.334  -2.851  -4.711
  280   2HG   ARG  37          2HG       ARG  37  13.073  -2.827  -4.924
  281   1HD   ARG  37          1HD       ARG  37  13.411  -1.266  -3.212
  282   2HD   ARG  37          2HD       ARG  37  11.843  -0.515  -3.435
  283    HE   ARG  37           HE       ARG  37  10.843  -2.177  -2.065
  284   1HH1  ARG  37          2HH2      ARG  37  14.232  -2.912  -2.667
  285   2HH1  ARG  37          1HH2      ARG  37  14.318  -4.129  -1.438
  286   1HH2  ARG  37          2HH1      ARG  37  10.957  -3.783  -0.443
  287   2HH2  ARG  37          1HH1      ARG  37  12.443  -4.629  -0.165
  288    H    SER  38           H        SER  38   9.033  -3.310  -6.332
  289    HA   SER  38           HA       SER  38  10.768  -5.580  -6.756
  290   1HB   SER  38          1HB       SER  38   7.903  -5.465  -5.713
  291   2HB   SER  38          2HB       SER  38   8.926  -6.888  -5.726
  292    HG   SER  38           HG       SER  38  10.047  -4.616  -4.472
  293    H    LEU  39           H        LEU  39   8.461  -3.641  -8.416
  294    HA   LEU  39           HA       LEU  39   7.891  -5.847 -10.271
  295   1HB   LEU  39          1HB       LEU  39   6.030  -4.564  -8.938
  296   2HB   LEU  39          2HB       LEU  39   6.279  -3.328 -10.156
  297    HG   LEU  39           HG       LEU  39   6.030  -5.730 -11.599
  298   1HD1  LEU  39          3HD1      LEU  39   4.190  -5.648  -9.219
  299   2HD1  LEU  39          1HD1      LEU  39   3.674  -6.385 -10.755
  300   3HD1  LEU  39          2HD1      LEU  39   5.102  -7.016  -9.900
  301   1HD2  LEU  39          1HD2      LEU  39   5.223  -3.295 -12.001
  302   2HD2  LEU  39          2HD2      LEU  39   4.282  -4.650 -12.668
  303   3HD2  LEU  39          3HD2      LEU  39   3.736  -3.832 -11.184
  304    H    GLY  40           H        GLY  40   9.175  -2.571  -9.791
  305   1HA   GLY  40          1HA       GLY  40  11.040  -2.199 -11.443
  306   2HA   GLY  40          2HA       GLY  40   9.817  -2.446 -12.674
  307    H    GLN  41           H        GLN  41   9.560  -0.728  -9.492
  308    HA   GLN  41           HA       GLN  41   9.204   1.731 -11.001
  309   1HB   GLN  41          1HB       GLN  41   7.265   0.417  -9.126
  310   2HB   GLN  41          2HB       GLN  41   7.408   2.160  -9.020
  311   1HG   GLN  41          1HG       GLN  41   6.883   2.414 -11.402
  312   2HG   GLN  41          2HG       GLN  41   6.944   0.680 -11.650
  313   1HE2  GLN  41          2HE2      GLN  41   3.826  -0.063 -10.115
  314   2HE2  GLN  41          1HE2      GLN  41   5.421  -0.657 -10.436
  315    H    ASN  42           H        ASN  42   9.052   3.659  -9.219
  316    HA   ASN  42           HA       ASN  42  10.255   3.317  -6.784
  317   1HB   ASN  42          1HB       ASN  42  12.228   2.745  -8.451
  318   2HB   ASN  42          2HB       ASN  42  12.276   4.471  -8.750
  319   1HD2  ASN  42          2HD2      ASN  42  14.456   3.153  -5.830
  320   2HD2  ASN  42          1HD2      ASN  42  14.050   2.435  -7.352
  321    HA   PRO  43           HA       PRO  43   8.631   7.416  -8.139
  322   1HB   PRO  43          1HB       PRO  43   6.321   7.460  -6.680
  323   2HB   PRO  43          2HB       PRO  43   6.387   6.951  -8.356
  324   1HG   PRO  43          1HG       PRO  43   6.109   5.293  -5.924
  325   2HG   PRO  43          2HG       PRO  43   5.756   4.869  -7.587
  326   1HD   PRO  43          1HD       PRO  43   8.053   4.074  -6.064
  327   2HD   PRO  43          2HD       PRO  43   7.756   3.748  -7.760
  328    H    THR  44           H        THR  44   8.435   9.465  -7.004
  329    HA   THR  44           HA       THR  44  10.171   9.400  -4.735
  330    HB   THR  44           HB       THR  44   9.766  11.899  -4.865
  331    HG1  THR  44           HG1      THR  44   8.051  12.532  -6.170
  332   1HG2  THR  44          1HG2      THR  44  10.149  10.566  -7.599
  333   2HG2  THR  44          2HG2      THR  44  10.573  12.247  -7.195
  334   3HG2  THR  44          3HG2      THR  44  11.454  10.900  -6.435
  335    H    GLU  45           H        GLU  45   9.502  10.859  -2.757
  336    HA   GLU  45           HA       GLU  45   7.419   9.412  -1.536
  337   1HB   GLU  45          1HB       GLU  45   9.021   9.981   0.028
  338   2HB   GLU  45          2HB       GLU  45   9.389  11.514  -0.737
  339   1HG   GLU  45          1HG       GLU  45   7.406  12.561   0.188
  340   2HG   GLU  45          2HG       GLU  45   6.747  11.020   0.701
  341    H    ALA  46           H        ALA  46   7.531  12.235  -3.521
  342    HA   ALA  46           HA       ALA  46   5.277  13.550  -2.341
  343   1HB   ALA  46          1HB       ALA  46   6.772  13.892  -4.970
  344   2HB   ALA  46          2HB       ALA  46   5.471  14.967  -4.405
  345   3HB   ALA  46          3HB       ALA  46   6.987  14.843  -3.481
  346    H    GLU  47           H        GLU  47   5.926  11.448  -5.212
  347    HA   GLU  47           HA       GLU  47   3.379  11.579  -6.249
  348   1HB   GLU  47          1HB       GLU  47   5.308  10.671  -7.484
  349   2HB   GLU  47          2HB       GLU  47   5.430   9.325  -6.368
  350   1HG   GLU  47          1HG       GLU  47   4.011   8.170  -7.707
  351   2HG   GLU  47          2HG       GLU  47   2.737   9.270  -7.219
  352    H    LEU  48           H        LEU  48   4.842   8.943  -4.202
  353    HA   LEU  48           HA       LEU  48   2.684   7.370  -3.868
  354   1HB   LEU  48          1HB       LEU  48   4.705   8.153  -1.763
  355   2HB   LEU  48          2HB       LEU  48   3.644   6.760  -1.681
  356    HG   LEU  48           HG       LEU  48   5.460   7.044  -4.049
  357   1HD1  LEU  48          3HD1      LEU  48   6.346   6.752  -1.258
  358   2HD1  LEU  48          1HD1      LEU  48   6.971   5.511  -2.370
  359   3HD1  LEU  48          2HD1      LEU  48   7.249   7.235  -2.713
  360   1HD2  LEU  48          3HD2      LEU  48   3.689   5.248  -3.808
  361   2HD2  LEU  48          1HD2      LEU  48   5.344   4.684  -4.140
  362   3HD2  LEU  48          2HD2      LEU  48   4.680   4.573  -2.493
  363    H    GLN  49           H        GLN  49   3.509  10.173  -1.701
  364    HA   GLN  49           HA       GLN  49   1.400  10.106  -0.082
  365   1HB   GLN  49          1HB       GLN  49   3.399  11.902  -0.578
  366   2HB   GLN  49          2HB       GLN  49   2.026  12.825  -1.154
  367   1HG   GLN  49          1HG       GLN  49   1.974  13.421   1.094
  368   2HG   GLN  49          2HG       GLN  49   0.912  12.027   1.139
  369   1HE2  GLN  49          2HE2      GLN  49   2.794  10.584   3.651
  370   2HE2  GLN  49          1HE2      GLN  49   1.265  11.092   3.015
  371    H    ASP  50           H        ASP  50   1.455  11.380  -3.453
  372    HA   ASP  50           HA       ASP  50  -1.123  12.420  -3.371
  373   1HB   ASP  50          1HB       ASP  50   0.999  12.002  -5.310
  374   2HB   ASP  50          2HB       ASP  50  -0.521  11.505  -6.028
  375    H    MET  51           H        MET  51   0.306   9.222  -4.223
  376    HA   MET  51           HA       MET  51  -2.059   8.154  -5.283
  377   1HB   MET  51          1HB       MET  51   0.338   6.727  -4.002
  378   2HB   MET  51          2HB       MET  51  -0.806   5.996  -5.110
  379   1HG   MET  51          1HG       MET  51  -0.040   7.332  -6.962
  380   2HG   MET  51          2HG       MET  51   0.805   8.452  -5.912
  381   1HE   MET  51          1HE       MET  51   1.767   7.174  -8.411
  382   2HE   MET  51          2HE       MET  51   3.175   6.101  -8.227
  383   3HE   MET  51          3HE       MET  51   1.533   5.415  -8.279
  384    H    ILE  52           H        ILE  52  -0.372   7.635  -2.099
  385    HA   ILE  52           HA       ILE  52  -2.129   5.944  -0.932
  386    HB   ILE  52           HB       ILE  52  -0.465   8.191   0.165
  387   1HG1  ILE  52          1HG1      ILE  52  -0.212   5.195  -0.035
  388   2HG1  ILE  52          2HG1      ILE  52   0.882   6.434  -0.618
  389   1HG2  ILE  52          1HG2      ILE  52  -2.671   6.925   1.502
  390   2HG2  ILE  52          2HG2      ILE  52  -1.143   6.449   2.281
  391   3HG2  ILE  52          3HG2      ILE  52  -1.549   8.172   2.098
  392   1HD1  ILE  52          3HD1      ILE  52   0.863   7.046   2.053
  393   2HD1  ILE  52          1HD1      ILE  52   0.600   5.287   2.118
  394   3HD1  ILE  52          2HD1      ILE  52   2.039   5.942   1.301
  395    H    ASN  53           H        ASN  53  -2.403   9.541  -1.176
  396    HA   ASN  53           HA       ASN  53  -4.578   9.907   0.367
  397   1HB   ASN  53          1HB       ASN  53  -3.366  11.259  -1.989
  398   2HB   ASN  53          2HB       ASN  53  -5.077  11.595  -1.814
  399   1HD2  ASN  53          2HD2      ASN  53  -2.711  13.894   0.176
  400   2HD2  ASN  53          1HD2      ASN  53  -2.577  13.194  -1.403
  401    H    GLU  54           H        GLU  54  -4.353   8.790  -3.064
  402    HA   GLU  54           HA       GLU  54  -7.023   8.892  -3.684
  403   1HB   GLU  54          1HB       GLU  54  -4.993   6.834  -4.656
  404   2HB   GLU  54          2HB       GLU  54  -6.475   7.287  -5.475
  405   1HG   GLU  54          1HG       GLU  54  -5.424   9.756  -5.272
  406   2HG   GLU  54          2HG       GLU  54  -3.921   8.862  -5.158
  407    H    VAL  55           H        VAL  55  -5.139   6.501  -1.820
  408    HA   VAL  55           HA       VAL  55  -7.604   4.936  -1.492
  409    HB   VAL  55           HB       VAL  55  -5.593   3.353  -0.561
  410   1HG1  VAL  55          3HG1      VAL  55  -7.270   3.528  -2.949
  411   2HG1  VAL  55          1HG1      VAL  55  -5.740   2.668  -3.251
  412   3HG1  VAL  55          2HG1      VAL  55  -6.831   2.115  -1.958
  413   1HG2  VAL  55          3HG2      VAL  55  -3.926   5.075  -1.357
  414   2HG2  VAL  55          1HG2      VAL  55  -3.696   3.436  -2.014
  415   3HG2  VAL  55          2HG2      VAL  55  -4.441   4.702  -3.020
  416    H    ASP  56           H        ASP  56  -6.939   7.485  -0.129
  417    HA   ASP  56           HA       ASP  56  -7.244   6.458   2.526
  418   1HB   ASP  56          1HB       ASP  56  -4.898   6.702   2.686
  419   2HB   ASP  56          2HB       ASP  56  -4.867   8.085   1.611
  420    H    ALA  57           H        ALA  57  -9.259   7.490   2.799
  421    HA   ALA  57           HA       ALA  57  -9.500  10.259   1.912
  422   1HB   ALA  57          1HB       ALA  57 -11.185   8.440   1.317
  423   2HB   ALA  57          2HB       ALA  57 -11.643   8.423   3.037
  424   3HB   ALA  57          3HB       ALA  57 -11.863   9.903   2.072
  425    H    ASP  58           H        ASP  58  -8.656   8.426   4.670
  426    HA   ASP  58           HA       ASP  58  -9.931  10.059   6.587
  427   1HB   ASP  58          1HB       ASP  58  -9.151   8.485   8.039
  428   2HB   ASP  58          2HB       ASP  58  -8.651   7.605   6.608
  429    H    GLY  59           H        GLY  59  -6.695   9.826   5.007
  430   1HA   GLY  59          1HA       GLY  59  -5.188  11.506   4.656
  431   2HA   GLY  59          2HA       GLY  59  -6.118  12.579   5.683
  432    H    ASN  60           H        ASN  60  -5.113   9.280   6.660
  433    HA   ASN  60           HA       ASN  60  -3.864  10.394   8.953
  434   1HB   ASN  60          1HB       ASN  60  -3.538   8.041   9.626
  435   2HB   ASN  60          2HB       ASN  60  -5.165   8.239   9.005
  436   1HD2  ASN  60          2HD2      ASN  60  -3.350   5.203   7.597
  437   2HD2  ASN  60          1HD2      ASN  60  -3.503   5.862   9.192
  438    H    GLY  61           H        GLY  61  -2.968   9.495   5.713
  439   1HA   GLY  61          1HA       GLY  61  -0.884  10.043   4.804
  440   2HA   GLY  61          2HA       GLY  61  -0.128   9.835   6.371
  441    H    THR  62           H        THR  62  -1.647   7.267   6.916
  442    HA   THR  62           HA       THR  62   0.039   5.555   5.226
  443    HB   THR  62           HB       THR  62  -1.346   4.686   7.779
  444    HG1  THR  62           HG1      THR  62  -0.097   6.171   8.846
  445   1HG2  THR  62          1HG2      THR  62   1.452   4.223   6.618
  446   2HG2  THR  62          2HG2      THR  62   0.803   3.476   8.097
  447   3HG2  THR  62          3HG2      THR  62   0.104   3.066   6.512
  448    H    ILE  63           H        ILE  63  -0.917   3.294   4.831
  449    HA   ILE  63           HA       ILE  63  -3.721   3.678   4.039
  450    HB   ILE  63           HB       ILE  63  -1.460   2.237   2.663
  451   1HG1  ILE  63          1HG1      ILE  63  -2.252   4.856   2.481
  452   2HG1  ILE  63          2HG1      ILE  63  -1.375   3.968   1.251
  453   1HG2  ILE  63          2HG2      ILE  63  -4.437   2.011   2.245
  454   2HG2  ILE  63          3HG2      ILE  63  -3.276   1.716   0.928
  455   3HG2  ILE  63          1HG2      ILE  63  -3.222   0.720   2.403
  456   1HD1  ILE  63          1HD1      ILE  63  -4.397   3.793   1.341
  457   2HD1  ILE  63          2HD1      ILE  63  -3.606   5.205   0.600
  458   3HD1  ILE  63          3HD1      ILE  63  -3.302   3.574  -0.046
  459    H    ASP  64           H        ASP  64  -5.208   2.216   4.768
  460    HA   ASP  64           HA       ASP  64  -4.109   0.116   6.442
  461   1HB   ASP  64          1HB       ASP  64  -6.977   1.149   6.254
  462   2HB   ASP  64          2HB       ASP  64  -6.364   0.035   7.460
  463    H    PHE  65           H        PHE  65  -5.974  -1.836   6.505
  464    HA   PHE  65           HA       PHE  65  -5.815  -3.033   3.973
  465   1HB   PHE  65          1HB       PHE  65  -5.934  -4.167   6.244
  466   2HB   PHE  65          2HB       PHE  65  -7.569  -3.568   6.447
  467    HD1  PHE  65           HD2      PHE  65  -5.866  -5.211   3.555
  468    HD2  PHE  65           HD1      PHE  65  -9.017  -5.361   6.393
  469    HE1  PHE  65           HE2      PHE  65  -6.761  -7.281   2.452
  470    HE2  PHE  65           HE1      PHE  65  -9.912  -7.430   5.291
  471    HZ   PHE  65           HZ       PHE  65  -8.773  -8.366   3.334
  472    HA   PRO  66           HA       PRO  66 -10.416  -1.880   3.770
  473   1HB   PRO  66          1HB       PRO  66 -11.386   0.056   5.436
  474   2HB   PRO  66          2HB       PRO  66 -11.535  -1.658   5.770
  475   1HG   PRO  66          1HG       PRO  66  -9.715   0.319   7.003
  476   2HG   PRO  66          2HG       PRO  66 -10.179  -1.264   7.594
  477   1HD   PRO  66          1HD       PRO  66  -7.693  -0.559   6.349
  478   2HD   PRO  66          2HD       PRO  66  -8.204  -2.163   6.835
  479    H    GLU  67           H        GLU  67  -7.821   0.200   3.972
  480    HA   GLU  67           HA       GLU  67  -9.211   2.162   2.349
  481   1HB   GLU  67          1HB       GLU  67  -6.369   2.399   3.393
  482   2HB   GLU  67          2HB       GLU  67  -7.443   3.687   2.886
  483   1HG   GLU  67          1HG       GLU  67  -8.427   1.944   5.123
  484   2HG   GLU  67          2HG       GLU  67  -7.074   2.994   5.497
  485    H    PHE  68           H        PHE  68  -6.752  -0.380   2.283
  486    HA   PHE  68           HA       PHE  68  -5.806   0.456  -0.322
  487   1HB   PHE  68          1HB       PHE  68  -4.047  -0.469   0.955
  488   2HB   PHE  68          2HB       PHE  68  -5.132  -1.482   1.885
  489    HD1  PHE  68           HD2      PHE  68  -6.122  -3.544   0.688
  490    HD2  PHE  68           HD1      PHE  68  -2.758  -1.396  -0.754
  491    HE1  PHE  68           HE2      PHE  68  -5.439  -5.534  -0.681
  492    HE2  PHE  68           HE1      PHE  68  -2.074  -3.386  -2.123
  493    HZ   PHE  68           HZ       PHE  68  -3.423  -5.431  -2.070
  494    H    LEU  69           H        LEU  69  -7.946  -1.963   1.200
  495    HA   LEU  69           HA       LEU  69  -8.143  -3.890  -0.659
  496   1HB   LEU  69          1HB       LEU  69 -10.088  -2.575   1.171
  497   2HB   LEU  69          2HB       LEU  69 -10.726  -3.668  -0.042
  498    HG   LEU  69           HG       LEU  69  -8.496  -4.500   1.816
  499   1HD1  LEU  69          3HD1      LEU  69 -10.963  -3.696   2.744
  500   2HD1  LEU  69          1HD1      LEU  69 -11.165  -5.454   2.546
  501   3HD1  LEU  69          2HD1      LEU  69  -9.849  -4.818   3.562
  502   1HD2  LEU  69          2HD2      LEU  69  -9.083  -5.789  -0.313
  503   2HD2  LEU  69          3HD2      LEU  69  -9.027  -6.705   1.213
  504   3HD2  LEU  69          1HD2      LEU  69 -10.595  -6.234   0.514
  505    H    THR  70           H        THR  70  -9.613  -0.598  -0.828
  506    HA   THR  70           HA       THR  70 -11.091  -0.941  -3.136
  507    HB   THR  70           HB       THR  70 -11.233   1.039  -1.672
  508    HG1  THR  70           HG1      THR  70 -10.013   1.666  -4.267
  509   1HG2  THR  70          2HG2      THR  70  -8.532   1.047  -1.464
  510   2HG2  THR  70          3HG2      THR  70  -8.689   2.157  -2.846
  511   3HG2  THR  70          1HG2      THR  70  -9.480   2.545  -1.300
  512    H    MET  71           H        MET  71  -7.601  -0.076  -2.792
  513    HA   MET  71           HA       MET  71  -7.037   0.458  -5.363
  514   1HB   MET  71          1HB       MET  71  -5.626  -0.157  -2.984
  515   2HB   MET  71          2HB       MET  71  -5.031  -1.344  -4.129
  516   1HG   MET  71          1HG       MET  71  -5.168   1.224  -5.468
  517   2HG   MET  71          2HG       MET  71  -4.331   1.441  -3.944
  518   1HE   MET  71          1HE       MET  71  -2.546   2.200  -4.964
  519   2HE   MET  71          2HE       MET  71  -1.128   1.126  -5.019
  520   3HE   MET  71          3HE       MET  71  -1.928   1.622  -6.529
  521    H    MET  72           H        MET  72  -7.010  -2.837  -3.825
  522    HA   MET  72           HA       MET  72  -6.261  -4.237  -6.039
  523   1HB   MET  72          1HB       MET  72  -8.158  -4.940  -3.736
  524   2HB   MET  72          2HB       MET  72  -7.589  -6.141  -4.879
  525   1HG   MET  72          1HG       MET  72  -5.365  -4.531  -3.810
  526   2HG   MET  72          2HG       MET  72  -6.269  -5.312  -2.527
  527   1HE   MET  72          3HE       MET  72  -4.347  -5.780  -5.875
  528   2HE   MET  72          1HE       MET  72  -3.280  -5.679  -4.454
  529   3HE   MET  72          2HE       MET  72  -3.364  -7.185  -5.399
  530    H    ALA  73           H        ALA  73  -9.619  -3.419  -4.927
  531    HA   ALA  73           HA       ALA  73 -11.087  -4.737  -6.774
  532   1HB   ALA  73          1HB       ALA  73 -11.478  -2.726  -4.874
  533   2HB   ALA  73          2HB       ALA  73 -12.027  -1.988  -6.398
  534   3HB   ALA  73          3HB       ALA  73 -12.742  -3.521  -5.843
  535    H    ARG  74           H        ARG  74  -9.545  -1.476  -7.177
  536    HA   ARG  74           HA       ARG  74 -10.250  -1.584  -9.962
  537   1HB   ARG  74          1HB       ARG  74  -8.732   0.582  -8.422
  538   2HB   ARG  74          2HB       ARG  74  -9.406   0.748 -10.031
  539   1HG   ARG  74          1HG       ARG  74 -11.695   0.454  -9.155
  540   2HG   ARG  74          2HG       ARG  74 -11.074   0.128  -7.549
  541   1HD   ARG  74          1HD       ARG  74 -10.612   2.752  -9.049
  542   2HD   ARG  74          2HD       ARG  74 -11.896   2.509  -7.881
  543    HE   ARG  74           HE       ARG  74 -10.297   2.471  -6.122
  544   1HH1  ARG  74          2HH2      ARG  74  -8.719   2.609  -9.264
  545   2HH1  ARG  74          1HH2      ARG  74  -7.167   3.012  -8.609
  546   1HH2  ARG  74          2HH1      ARG  74  -8.250   3.003  -5.257
  547   2HH2  ARG  74          1HH1      ARG  74  -6.898   3.237  -6.315
  548    H    LYS  75           H        LYS  75  -8.528  -3.656  -9.457
  549    HA   LYS  75           HA       LYS  75  -5.847  -3.246  -9.364
  550   1HB   LYS  75          1HB       LYS  75  -7.592  -5.374  -9.913
  551   2HB   LYS  75          2HB       LYS  75  -6.517  -5.313 -11.295
  552   1HG   LYS  75          1HG       LYS  75  -4.785  -4.904  -9.124
  553   2HG   LYS  75          2HG       LYS  75  -5.934  -6.073  -8.502
  554   1HD   LYS  75          1HD       LYS  75  -4.298  -7.442  -9.517
  555   2HD   LYS  75          2HD       LYS  75  -5.550  -7.365 -10.741
  556   1HE   LYS  75          1HE       LYS  75  -4.273  -5.386 -11.773
  557   2HE   LYS  75          2HE       LYS  75  -2.968  -5.740 -10.658
  558   1HZ   LYS  75          3HZ       LYS  75  -4.073  -7.799 -12.423
  559   2HZ   LYS  75          1HZ       LYS  75  -2.866  -6.810 -12.904
  560   3HZ   LYS  75          2HZ       LYS  75  -2.644  -7.811 -11.632
   
  No H/Q in entry =         560
  Start of MODEL    9
    1    H    MET   0           H        MET   0 -30.558 -19.890   4.364
    2    HA   MET   0           HA       MET   0 -28.365 -21.587   4.932
    3   1HB   MET   0          1HB       MET   0 -29.379 -21.200   2.086
    4   2HB   MET   0          2HB       MET   0 -27.658 -21.394   2.358
    5   1HG   MET   0          1HG       MET   0 -28.273 -23.523   3.723
    6   2HG   MET   0          2HG       MET   0 -29.878 -23.369   3.037
    7   1HE   MET   0          1HE       MET   0 -26.149 -23.629   2.430
    8   2HE   MET   0          2HE       MET   0 -25.976 -24.096   0.721
    9   3HE   MET   0          3HE       MET   0 -26.416 -22.425   1.147
   10    H    ALA   1           H        ALA   1 -28.436 -19.381   2.120
   11    HA   ALA   1           HA       ALA   1 -28.081 -16.949   3.206
   12   1HB   ALA   1          2HB       ALA   1 -25.620 -18.652   3.539
   13   2HB   ALA   1          3HB       ALA   1 -25.434 -16.920   3.173
   14   3HB   ALA   1          1HB       ALA   1 -26.312 -17.431   4.634
   15    H    ASP   2           H        ASP   2 -26.489 -15.531   1.720
   16    HA   ASP   2           HA       ASP   2 -25.936 -16.666  -0.798
   17   1HB   ASP   2          1HB       ASP   2 -28.525 -15.282  -0.345
   18   2HB   ASP   2          2HB       ASP   2 -27.613 -14.623  -1.688
   19    H    GLN   3           H        GLN   3 -23.923 -15.613   0.195
   20    HA   GLN   3           HA       GLN   3 -23.268 -13.304  -1.035
   21   1HB   GLN   3          1HB       GLN   3 -24.998 -12.679   1.116
   22   2HB   GLN   3          2HB       GLN   3 -23.397 -12.273   1.701
   23   1HG   GLN   3          1HG       GLN   3 -23.187 -11.183  -0.767
   24   2HG   GLN   3          2HG       GLN   3 -24.931 -11.104  -0.611
   25   1HE2  GLN   3          2HE2      GLN   3 -22.583  -9.130   2.195
   26   2HE2  GLN   3          1HE2      GLN   3 -22.111 -10.657   1.529
   27    H    LEU   4           H        LEU   4 -21.032 -12.893  -0.775
   28    HA   LEU   4           HA       LEU   4 -19.619 -14.932   0.629
   29   1HB   LEU   4          1HB       LEU   4 -17.628 -13.599  -0.211
   30   2HB   LEU   4          2HB       LEU   4 -18.679 -14.347  -1.396
   31    HG   LEU   4           HG       LEU   4 -19.517 -11.618  -0.815
   32   1HD1  LEU   4          1HD1      LEU   4 -16.629 -12.120  -1.319
   33   2HD1  LEU   4          2HD1      LEU   4 -17.402 -10.806  -2.237
   34   3HD1  LEU   4          3HD1      LEU   4 -17.437 -10.788  -0.458
   35   1HD2  LEU   4          2HD2      LEU   4 -19.608 -13.439  -2.924
   36   2HD2  LEU   4          3HD2      LEU   4 -20.184 -11.755  -2.931
   37   3HD2  LEU   4          1HD2      LEU   4 -18.541 -12.136  -3.499
   38    H    THR   5           H        THR   5 -17.448 -13.883   1.818
   39    HA   THR   5           HA       THR   5 -18.192 -11.704   3.555
   40    HB   THR   5           HB       THR   5 -18.567 -12.933   5.499
   41    HG1  THR   5           HG1      THR   5 -16.909 -14.925   4.118
   42   1HG2  THR   5          3HG2      THR   5 -19.074 -15.092   3.383
   43   2HG2  THR   5          1HG2      THR   5 -19.677 -15.131   5.057
   44   3HG2  THR   5          2HG2      THR   5 -20.265 -13.887   3.928
   45    H    GLU   6           H        GLU   6 -16.261 -12.155   5.561
   46    HA   GLU   6           HA       GLU   6 -14.090 -11.029   4.496
   47   1HB   GLU   6          1HB       GLU   6 -14.217 -12.988   6.828
   48   2HB   GLU   6          2HB       GLU   6 -12.827 -11.977   6.487
   49   1HG   GLU   6          1HG       GLU   6 -14.368  -9.946   6.615
   50   2HG   GLU   6          2HG       GLU   6 -15.652 -11.017   7.140
   51    H    GLU   7           H        GLU   7 -14.951 -14.488   4.462
   52    HA   GLU   7           HA       GLU   7 -12.681 -15.751   4.020
   53   1HB   GLU   7          1HB       GLU   7 -15.370 -16.016   2.656
   54   2HB   GLU   7          2HB       GLU   7 -14.056 -17.080   2.195
   55   1HG   GLU   7          1HG       GLU   7 -14.270 -16.876   5.117
   56   2HG   GLU   7          2HG       GLU   7 -15.789 -17.389   4.410
   57    H    GLN   8           H        GLN   8 -14.294 -13.517   1.726
   58    HA   GLN   8           HA       GLN   8 -12.525 -14.143  -0.388
   59   1HB   GLN   8          1HB       GLN   8 -14.884 -12.495   0.041
   60   2HB   GLN   8          2HB       GLN   8 -13.670 -11.570  -0.820
   61   1HG   GLN   8          1HG       GLN   8 -14.650 -12.629  -2.633
   62   2HG   GLN   8          2HG       GLN   8 -13.441 -13.837  -2.245
   63   1HE2  GLN   8          2HE2      GLN   8 -15.721 -16.113  -0.642
   64   2HE2  GLN   8          1HE2      GLN   8 -14.136 -15.431  -0.499
   65    H    ILE   9           H        ILE   9 -12.815 -11.482   2.045
   66    HA   ILE   9           HA       ILE   9 -10.763  -9.893   1.091
   67    HB   ILE   9           HB       ILE   9 -12.570  -9.733   3.074
   68   1HG1  ILE   9          1HG1      ILE   9 -10.849  -7.760   3.831
   69   2HG1  ILE   9          2HG1      ILE   9 -10.206  -8.152   2.248
   70   1HG2  ILE   9          1HG2      ILE   9 -11.088 -11.297   4.449
   71   2HG2  ILE   9          2HG2      ILE   9  -9.972  -9.919   4.598
   72   3HG2  ILE   9          3HG2      ILE   9 -11.632  -9.790   5.225
   73   1HD1  ILE   9          3HD1      ILE   9 -13.196  -7.822   2.573
   74   2HD1  ILE   9          1HD1      ILE   9 -12.156  -6.381   2.471
   75   3HD1  ILE   9          2HD1      ILE   9 -12.185  -7.554   1.133
   76    H    ALA  10           H        ALA  10 -10.713 -12.815   3.176
   77    HA   ALA  10           HA       ALA  10  -8.216 -12.779   4.172
   78   1HB   ALA  10          3HB       ALA  10 -10.229 -14.625   3.901
   79   2HB   ALA  10          1HB       ALA  10  -8.954 -15.347   2.891
   80   3HB   ALA  10          2HB       ALA  10  -8.629 -14.972   4.600
   81    H    GLU  11           H        GLU  11  -9.187 -13.445   0.772
   82    HA   GLU  11           HA       GLU  11  -6.635 -14.219  -0.049
   83   1HB   GLU  11          1HB       GLU  11  -9.015 -13.099  -1.588
   84   2HB   GLU  11          2HB       GLU  11  -7.567 -13.701  -2.369
   85   1HG   GLU  11          1HG       GLU  11  -7.903 -15.916  -1.185
   86   2HG   GLU  11          2HG       GLU  11  -9.408 -15.301  -0.530
   87    H    PHE  12           H        PHE  12  -8.358 -11.057   0.060
   88    HA   PHE  12           HA       PHE  12  -6.419  -9.617  -1.356
   89   1HB   PHE  12          1HB       PHE  12  -8.535  -8.995   0.777
   90   2HB   PHE  12          2HB       PHE  12  -7.581  -7.711   0.062
   91    HD1  PHE  12           HD1      PHE  12 -10.005 -10.395  -0.731
   92    HD2  PHE  12           HD2      PHE  12  -8.140  -6.819  -2.049
   93    HE1  PHE  12           HE1      PHE  12 -11.628 -10.253  -2.641
   94    HE2  PHE  12           HE2      PHE  12  -9.763  -6.676  -3.959
   95    HZ   PHE  12           HZ       PHE  12 -11.487  -8.395  -4.232
   96    H    LYS  13           H        LYS  13  -6.741 -10.573   2.076
   97    HA   LYS  13           HA       LYS  13  -5.139  -8.853   3.363
   98   1HB   LYS  13          1HB       LYS  13  -5.307 -11.864   3.630
   99   2HB   LYS  13          2HB       LYS  13  -4.442 -10.850   4.767
  100   1HG   LYS  13          1HG       LYS  13  -6.699  -9.464   4.853
  101   2HG   LYS  13          2HG       LYS  13  -7.416 -10.915   4.180
  102   1HD   LYS  13          1HD       LYS  13  -7.222 -12.075   6.145
  103   2HD   LYS  13          2HD       LYS  13  -5.600 -11.485   6.446
  104   1HE   LYS  13          1HE       LYS  13  -6.860  -9.178   6.938
  105   2HE   LYS  13          2HE       LYS  13  -8.246 -10.221   7.191
  106   1HZ   LYS  13          2HZ       LYS  13  -5.689 -10.782   8.494
  107   2HZ   LYS  13          3HZ       LYS  13  -6.762  -9.742   9.152
  108   3HZ   LYS  13          1HZ       LYS  13  -7.178 -11.303   8.916
  109    H    GLU  14           H        GLU  14  -3.858 -11.878   1.797
  110    HA   GLU  14           HA       GLU  14  -1.248 -11.383   2.111
  111   1HB   GLU  14          1HB       GLU  14  -2.693 -12.627  -0.263
  112   2HB   GLU  14          2HB       GLU  14  -0.950 -12.677  -0.088
  113   1HG   GLU  14          1HG       GLU  14  -1.683 -13.553   2.401
  114   2HG   GLU  14          2HG       GLU  14  -3.059 -14.120   1.474
  115    H    ALA  15           H        ALA  15  -3.454  -9.946  -0.329
  116    HA   ALA  15           HA       ALA  15  -1.534  -8.770  -1.954
  117   1HB   ALA  15          1HB       ALA  15  -4.138  -9.034  -2.158
  118   2HB   ALA  15          2HB       ALA  15  -4.180  -7.459  -1.331
  119   3HB   ALA  15          3HB       ALA  15  -3.341  -7.622  -2.892
  120    H    PHE  16           H        PHE  16  -3.366  -7.364   0.857
  121    HA   PHE  16           HA       PHE  16  -2.056  -4.931   0.860
  122   1HB   PHE  16          1HB       PHE  16  -4.149  -5.728   2.137
  123   2HB   PHE  16          2HB       PHE  16  -3.095  -6.623   3.213
  124    HD1  PHE  16           HD1      PHE  16  -3.440  -3.140   1.894
  125    HD2  PHE  16           HD2      PHE  16  -2.564  -5.628   5.218
  126    HE1  PHE  16           HE1      PHE  16  -3.205  -1.110   3.351
  127    HE2  PHE  16           HE2      PHE  16  -2.329  -3.598   6.676
  128    HZ   PHE  16           HZ       PHE  16  -2.653  -1.364   5.725
  129    H    SER  17           H        SER  17  -1.082  -8.115   2.133
  130    HA   SER  17           HA       SER  17   0.854  -7.219   3.891
  131   1HB   SER  17          1HB       SER  17   0.477  -9.462   4.212
  132   2HB   SER  17          2HB       SER  17   0.170  -9.766   2.514
  133    HG   SER  17           HG       SER  17   2.638  -9.755   3.939
  134    H    LEU  18           H        LEU  18   1.036  -8.183   0.398
  135    HA   LEU  18           HA       LEU  18   3.685  -8.047  -0.056
  136   1HB   LEU  18          1HB       LEU  18   1.246  -7.687  -1.598
  137   2HB   LEU  18          2HB       LEU  18   2.569  -6.738  -2.245
  138    HG   LEU  18           HG       LEU  18   3.827  -9.122  -1.879
  139   1HD1  LEU  18          3HD1      LEU  18   1.635 -10.117  -1.117
  140   2HD1  LEU  18          1HD1      LEU  18   1.050  -9.906  -2.785
  141   3HD1  LEU  18          2HD1      LEU  18   2.446 -10.961  -2.458
  142   1HD2  LEU  18          1HD2      LEU  18   2.338  -7.991  -4.242
  143   2HD2  LEU  18          2HD2      LEU  18   4.086  -7.993  -3.905
  144   3HD2  LEU  18          3HD2      LEU  18   3.265  -9.506  -4.359
  145    H    PHE  19           H        PHE  19   1.503  -5.170  -0.512
  146    HA   PHE  19           HA       PHE  19   3.552  -3.340  -0.738
  147   1HB   PHE  19          1HB       PHE  19   0.645  -3.333   0.202
  148   2HB   PHE  19          2HB       PHE  19   1.554  -1.836   0.262
  149    HD1  PHE  19           HD1      PHE  19   2.391  -0.813  -1.839
  150    HD2  PHE  19           HD2      PHE  19  -0.138  -4.221  -1.875
  151    HE1  PHE  19           HE1      PHE  19   1.863  -0.396  -4.257
  152    HE2  PHE  19           HE2      PHE  19  -0.666  -3.804  -4.294
  153    HZ   PHE  19           HZ       PHE  19   0.341  -1.896  -5.456
  154    H    ASP  20           H        ASP  20   1.701  -4.388   2.198
  155    HA   ASP  20           HA       ASP  20   3.016  -2.606   3.890
  156   1HB   ASP  20          1HB       ASP  20   0.992  -3.467   4.736
  157   2HB   ASP  20          2HB       ASP  20   1.353  -5.103   4.223
  158    H    LYS  21           H        LYS  21   4.346  -3.570   5.896
  159    HA   LYS  21           HA       LYS  21   5.729  -5.959   5.666
  160   1HB   LYS  21          1HB       LYS  21   6.614  -4.325   3.673
  161   2HB   LYS  21          2HB       LYS  21   7.717  -3.880   4.959
  162   1HG   LYS  21          1HG       LYS  21   7.311  -6.798   4.816
  163   2HG   LYS  21          2HG       LYS  21   7.917  -6.147   3.306
  164   1HD   LYS  21          1HD       LYS  21   9.991  -6.018   4.207
  165   2HD   LYS  21          2HD       LYS  21   9.403  -4.846   5.369
  166   1HE   LYS  21          1HE       LYS  21   8.813  -6.598   6.961
  167   2HE   LYS  21          2HE       LYS  21   9.092  -7.855   5.773
  168   1HZ   LYS  21          2HZ       LYS  21  11.424  -6.557   5.789
  169   2HZ   LYS  21          3HZ       LYS  21  10.982  -6.419   7.355
  170   3HZ   LYS  21          1HZ       LYS  21  11.107  -7.896   6.669
  171    H    ASP  22           H        ASP  22   4.329  -4.375   7.608
  172    HA   ASP  22           HA       ASP  22   6.546  -3.998   9.447
  173   1HB   ASP  22          1HB       ASP  22   4.197  -2.242   9.918
  174   2HB   ASP  22          2HB       ASP  22   5.905  -1.877  10.064
  175    H    GLY  23           H        GLY  23   4.080  -5.902   8.640
  176   1HA   GLY  23          1HA       GLY  23   2.392  -7.020   9.674
  177   2HA   GLY  23          2HA       GLY  23   3.627  -7.246  10.897
  178    H    ASP  24           H        ASP  24   2.328  -4.015  10.116
  179    HA   ASP  24           HA       ASP  24   1.295  -3.930  12.817
  180   1HB   ASP  24          1HB       ASP  24   1.419  -1.542  12.631
  181   2HB   ASP  24          2HB       ASP  24   2.884  -2.156  11.891
  182    H    GLY  25           H        GLY  25   0.422  -3.683   9.355
  183   1HA   GLY  25          1HA       GLY  25  -1.762  -4.370   8.677
  184   2HA   GLY  25          2HA       GLY  25  -2.429  -3.632  10.119
  185    H    THR  26           H        THR  26   0.175  -1.926   8.463
  186    HA   THR  26           HA       THR  26  -1.779  -0.219   7.092
  187    HB   THR  26           HB       THR  26  -0.787   0.496   9.530
  188    HG1  THR  26           HG1      THR  26  -0.990   2.131   7.098
  189   1HG2  THR  26          1HG2      THR  26   1.606   0.471   8.556
  190   2HG2  THR  26          2HG2      THR  26   1.087   1.808   7.501
  191   3HG2  THR  26          3HG2      THR  26   1.086   2.018   9.269
  192    H    ILE  27           H        ILE  27  -0.774   1.190   5.427
  193    HA   ILE  27           HA       ILE  27   1.732   0.026   4.446
  194    HB   ILE  27           HB       ILE  27  -0.809   0.500   2.890
  195   1HG1  ILE  27          1HG1      ILE  27   0.823  -2.000   3.420
  196   2HG1  ILE  27          2HG1      ILE  27  -0.738  -1.616   4.117
  197   1HG2  ILE  27          3HG2      ILE  27   1.284   1.313   1.725
  198   2HG2  ILE  27          1HG2      ILE  27   1.845  -0.376   1.740
  199   3HG2  ILE  27          2HG2      ILE  27   0.351   0.057   0.875
  200   1HD1  ILE  27          1HD1      ILE  27  -0.232  -1.868   1.117
  201   2HD1  ILE  27          2HD1      ILE  27  -0.885  -3.169   2.142
  202   3HD1  ILE  27          3HD1      ILE  27  -1.810  -1.665   1.916
  203    H    THR  28           H        THR  28   2.872   1.829   5.314
  204    HA   THR  28           HA       THR  28   2.072   4.490   4.842
  205    HB   THR  28           HB       THR  28   3.617   3.722   6.661
  206    HG1  THR  28           HG1      THR  28   4.021   5.875   6.186
  207   1HG2  THR  28          1HG2      THR  28   4.902   2.148   4.897
  208   2HG2  THR  28          2HG2      THR  28   5.851   3.629   4.623
  209   3HG2  THR  28          3HG2      THR  28   5.782   2.904   6.247
  210    H    THR  29           H        THR  29   4.678   5.499   3.865
  211    HA   THR  29           HA       THR  29   4.050   5.219   1.036
  212    HB   THR  29           HB       THR  29   5.818   7.160   1.015
  213    HG1  THR  29           HG1      THR  29   5.032   7.373   3.774
  214   1HG2  THR  29          2HG2      THR  29   3.233   7.426   2.640
  215   2HG2  THR  29          3HG2      THR  29   4.198   8.802   2.051
  216   3HG2  THR  29          1HG2      THR  29   3.406   7.708   0.891
  217    H    LYS  30           H        LYS  30   7.004   5.066   3.142
  218    HA   LYS  30           HA       LYS  30   8.752   4.187   1.255
  219   1HB   LYS  30          1HB       LYS  30   9.034   4.774   3.784
  220   2HB   LYS  30          2HB       LYS  30   8.795   3.059   4.046
  221   1HG   LYS  30          1HG       LYS  30  10.669   2.536   2.498
  222   2HG   LYS  30          2HG       LYS  30  10.885   4.241   2.157
  223   1HD   LYS  30          1HD       LYS  30  12.239   4.437   3.962
  224   2HD   LYS  30          2HD       LYS  30  10.915   3.971   5.011
  225   1HE   LYS  30          1HE       LYS  30  11.731   1.532   3.867
  226   2HE   LYS  30          2HE       LYS  30  13.239   2.388   4.121
  227   1HZ   LYS  30          1HZ       LYS  30  11.749   2.807   6.376
  228   2HZ   LYS  30          2HZ       LYS  30  11.548   1.224   6.027
  229   3HZ   LYS  30          3HZ       LYS  30  13.051   1.831   6.228
  230    H    GLU  31           H        GLU  31   6.136   2.396   2.879
  231    HA   GLU  31           HA       GLU  31   7.075  -0.112   1.949
  232   1HB   GLU  31          1HB       GLU  31   4.439   0.793   3.178
  233   2HB   GLU  31          2HB       GLU  31   4.756  -0.872   2.734
  234   1HG   GLU  31          1HG       GLU  31   6.505  -1.103   4.342
  235   2HG   GLU  31          2HG       GLU  31   6.712   0.629   4.506
  236    H    LEU  32           H        LEU  32   4.824   2.421   0.829
  237    HA   LEU  32           HA       LEU  32   3.631   0.806  -1.182
  238   1HB   LEU  32          1HB       LEU  32   2.860   3.016   0.030
  239   2HB   LEU  32          2HB       LEU  32   3.705   3.791  -1.296
  240    HG   LEU  32           HG       LEU  32   2.231   2.111  -2.751
  241   1HD1  LEU  32          2HD1      LEU  32   1.227   0.984  -0.820
  242   2HD1  LEU  32          3HD1      LEU  32   0.531   2.529  -0.276
  243   3HD1  LEU  32          1HD1      LEU  32   0.000   1.806  -1.813
  244   1HD2  LEU  32          2HD2      LEU  32   1.915   4.864  -1.817
  245   2HD2  LEU  32          3HD2      LEU  32   1.761   4.176  -3.451
  246   3HD2  LEU  32          1HD2      LEU  32   0.382   4.117  -2.328
  247    H    GLY  33           H        GLY  33   6.598   2.687  -0.861
  248   1HA   GLY  33          1HA       GLY  33   7.051   2.664  -3.751
  249   2HA   GLY  33          2HA       GLY  33   8.012   3.470  -2.526
  250    H    THR  34           H        THR  34   7.364   0.486  -1.190
  251    HA   THR  34           HA       THR  34  10.003  -0.476  -1.883
  252    HB   THR  34           HB       THR  34   7.926  -0.888   0.226
  253    HG1  THR  34           HG1      THR  34  10.841  -1.134  -0.039
  254   1HG2  THR  34          3HG2      THR  34   9.876  -3.092  -0.629
  255   2HG2  THR  34          1HG2      THR  34   9.033  -3.041   0.938
  256   3HG2  THR  34          2HG2      THR  34   8.103  -3.231  -0.568
  257    H    VAL  35           H        VAL  35   6.670  -1.921  -1.920
  258    HA   VAL  35           HA       VAL  35   7.317  -4.182  -3.309
  259    HB   VAL  35           HB       VAL  35   4.886  -2.508  -2.943
  260   1HG1  VAL  35          1HG1      VAL  35   5.231  -4.534  -5.140
  261   2HG1  VAL  35          2HG1      VAL  35   3.660  -4.372  -4.318
  262   3HG1  VAL  35          3HG1      VAL  35   4.374  -2.973  -5.156
  263   1HG2  VAL  35          2HG2      VAL  35   5.636  -5.396  -2.397
  264   2HG2  VAL  35          3HG2      VAL  35   5.413  -4.082  -1.217
  265   3HG2  VAL  35          1HG2      VAL  35   4.013  -4.723  -2.110
  266    H    MET  36           H        MET  36   7.112  -0.838  -4.434
  267    HA   MET  36           HA       MET  36   6.778  -1.417  -7.140
  268   1HB   MET  36          1HB       MET  36   8.109   0.944  -5.698
  269   2HB   MET  36          2HB       MET  36   7.698   0.956  -7.402
  270   1HG   MET  36          1HG       MET  36   5.382   0.114  -5.832
  271   2HG   MET  36          2HG       MET  36   6.001   1.631  -5.211
  272   1HE   MET  36          3HE       MET  36   3.317   0.900  -6.473
  273   2HE   MET  36          1HE       MET  36   3.362   2.670  -6.294
  274   3HE   MET  36          2HE       MET  36   2.913   1.945  -7.856
  275    H    ARG  37           H        ARG  37   9.698  -0.948  -5.066
  276    HA   ARG  37           HA       ARG  37  11.560  -0.900  -7.050
  277   1HB   ARG  37          1HB       ARG  37  11.775  -2.160  -4.269
  278   2HB   ARG  37          2HB       ARG  37  13.149  -1.757  -5.279
  279   1HG   ARG  37          1HG       ARG  37  12.806   0.572  -5.064
  280   2HG   ARG  37          2HG       ARG  37  11.108   0.392  -4.671
  281   1HD   ARG  37          1HD       ARG  37  12.169  -0.950  -2.551
  282   2HD   ARG  37          2HD       ARG  37  13.510   0.128  -2.885
  283    HE   ARG  37           HE       ARG  37  11.020   1.598  -2.895
  284   1HH1  ARG  37          2HH2      ARG  37  13.355   0.108  -0.724
  285   2HH1  ARG  37          1HH2      ARG  37  12.982   1.156   0.603
  286   1HH2  ARG  37          2HH1      ARG  37  10.527   2.981  -1.144
  287   2HH2  ARG  37          1HH1      ARG  37  11.363   2.802   0.363
  288    H    SER  38           H        SER  38   9.516  -3.515  -5.971
  289    HA   SER  38           HA       SER  38  11.284  -5.569  -6.863
  290   1HB   SER  38          1HB       SER  38   9.492  -5.697  -4.976
  291   2HB   SER  38          2HB       SER  38   8.321  -5.883  -6.267
  292    HG   SER  38           HG       SER  38  10.660  -7.564  -6.124
  293    H    LEU  39           H        LEU  39   9.319  -3.283  -8.385
  294    HA   LEU  39           HA       LEU  39   8.835  -5.093 -10.649
  295   1HB   LEU  39          1HB       LEU  39   7.030  -3.497  -9.208
  296   2HB   LEU  39          2HB       LEU  39   7.294  -2.651 -10.720
  297    HG   LEU  39           HG       LEU  39   6.913  -5.193 -11.634
  298   1HD1  LEU  39          3HD1      LEU  39   5.624  -4.998  -8.960
  299   2HD1  LEU  39          1HD1      LEU  39   4.672  -5.727 -10.275
  300   3HD1  LEU  39          2HD1      LEU  39   6.255  -6.412  -9.838
  301   1HD2  LEU  39          1HD2      LEU  39   5.837  -2.914 -12.223
  302   2HD2  LEU  39          2HD2      LEU  39   4.922  -4.409 -12.537
  303   3HD2  LEU  39          3HD2      LEU  39   4.542  -3.416 -11.110
  304    H    GLY  40           H        GLY  40  11.127  -3.133  -9.571
  305   1HA   GLY  40          1HA       GLY  40  12.810  -2.109 -10.696
  306   2HA   GLY  40          2HA       GLY  40  11.954  -2.346 -12.206
  307    H    GLN  41           H        GLN  41  10.235  -0.863  -9.491
  308    HA   GLN  41           HA       GLN  41  10.393   1.660 -10.942
  309   1HB   GLN  41          1HB       GLN  41   8.188   0.262  -9.462
  310   2HB   GLN  41          2HB       GLN  41   8.214   2.012  -9.374
  311   1HG   GLN  41          1HG       GLN  41   7.958   2.269 -11.723
  312   2HG   GLN  41          2HG       GLN  41   8.523   0.646 -12.063
  313   1HE2  GLN  41          2HE2      GLN  41   5.452  -0.969 -11.722
  314   2HE2  GLN  41          1HE2      GLN  41   7.169  -1.087 -11.922
  315    H    ASN  42           H        ASN  42   9.650   3.546  -9.176
  316    HA   ASN  42           HA       ASN  42  10.461   3.265  -6.578
  317   1HB   ASN  42          1HB       ASN  42  12.751   2.892  -7.527
  318   2HB   ASN  42          2HB       ASN  42  12.649   4.412  -8.393
  319   1HD2  ASN  42          2HD2      ASN  42  14.036   4.283  -4.647
  320   2HD2  ASN  42          1HD2      ASN  42  13.829   2.939  -5.720
  321    HA   PRO  43           HA       PRO  43   8.561   7.177  -8.023
  322   1HB   PRO  43          1HB       PRO  43   6.208   6.992  -6.645
  323   2HB   PRO  43          2HB       PRO  43   6.392   6.459  -8.304
  324   1HG   PRO  43          1HG       PRO  43   6.211   4.830  -5.844
  325   2HG   PRO  43          2HG       PRO  43   5.969   4.336  -7.508
  326   1HD   PRO  43          1HD       PRO  43   8.282   3.833  -5.889
  327   2HD   PRO  43          2HD       PRO  43   8.086   3.442  -7.585
  328    H    THR  44           H        THR  44   8.761   9.184  -7.133
  329    HA   THR  44           HA       THR  44  10.138   9.295  -4.701
  330    HB   THR  44           HB       THR  44   9.845  11.737  -5.015
  331    HG1  THR  44           HG1      THR  44   8.041  12.392  -6.167
  332   1HG2  THR  44          1HG2      THR  44  11.123  10.196  -6.847
  333   2HG2  THR  44          2HG2      THR  44   9.802  10.796  -7.878
  334   3HG2  THR  44          3HG2      THR  44  10.906  11.946  -7.086
  335    H    GLU  45           H        GLU  45   9.466  10.457  -2.703
  336    HA   GLU  45           HA       GLU  45   7.299   9.156  -1.603
  337   1HB   GLU  45          1HB       GLU  45   9.342  11.031  -0.762
  338   2HB   GLU  45          2HB       GLU  45   7.804  11.529  -0.086
  339   1HG   GLU  45          1HG       GLU  45   7.469   9.098   0.676
  340   2HG   GLU  45          2HG       GLU  45   9.127   8.794   0.195
  341    H    ALA  46           H        ALA  46   7.489  12.028  -3.575
  342    HA   ALA  46           HA       ALA  46   5.129  13.278  -2.604
  343   1HB   ALA  46          2HB       ALA  46   6.929  14.497  -3.763
  344   2HB   ALA  46          3HB       ALA  46   6.637  13.543  -5.237
  345   3HB   ALA  46          1HB       ALA  46   5.388  14.662  -4.639
  346    H    GLU  47           H        GLU  47   5.938  11.050  -5.334
  347    HA   GLU  47           HA       GLU  47   3.441  11.081  -6.491
  348   1HB   GLU  47          1HB       GLU  47   5.453  10.140  -7.571
  349   2HB   GLU  47          2HB       GLU  47   5.514   8.845  -6.392
  350   1HG   GLU  47          1HG       GLU  47   4.201   7.635  -7.794
  351   2HG   GLU  47          2HG       GLU  47   2.882   8.707  -7.367
  352    H    LEU  48           H        LEU  48   4.846   8.594  -4.228
  353    HA   LEU  48           HA       LEU  48   2.651   7.032  -3.917
  354   1HB   LEU  48          1HB       LEU  48   4.628   7.836  -1.777
  355   2HB   LEU  48          2HB       LEU  48   3.575   6.436  -1.729
  356    HG   LEU  48           HG       LEU  48   5.473   6.738  -4.032
  357   1HD1  LEU  48          1HD1      LEU  48   6.532   7.069  -1.593
  358   2HD1  LEU  48          2HD1      LEU  48   6.491   5.290  -1.645
  359   3HD1  LEU  48          3HD1      LEU  48   7.362   6.198  -2.904
  360   1HD2  LEU  48          1HD2      LEU  48   3.681   4.742  -3.047
  361   2HD2  LEU  48          2HD2      LEU  48   4.691   4.721  -4.512
  362   3HD2  LEU  48          3HD2      LEU  48   5.341   4.105  -2.974
  363    H    GLN  49           H        GLN  49   3.500   9.879  -1.816
  364    HA   GLN  49           HA       GLN  49   1.393   9.909  -0.211
  365   1HB   GLN  49          1HB       GLN  49   3.391  11.699  -0.870
  366   2HB   GLN  49          2HB       GLN  49   1.964  12.591  -1.360
  367   1HG   GLN  49          1HG       GLN  49   2.157  13.203   0.901
  368   2HG   GLN  49          2HG       GLN  49   0.992  11.896   0.983
  369   1HE2  GLN  49          1HE2      GLN  49   1.358  10.934   2.847
  370   2HE2  GLN  49          2HE2      GLN  49   2.869  10.293   3.402
  371    H    ASP  50           H        ASP  50   1.448  11.114  -3.617
  372    HA   ASP  50           HA       ASP  50  -1.119  12.145  -3.587
  373   1HB   ASP  50          1HB       ASP  50   0.992  11.650  -5.494
  374   2HB   ASP  50          2HB       ASP  50  -0.500  11.048  -6.190
  375    H    MET  51           H        MET  51   0.261   8.900  -4.397
  376    HA   MET  51           HA       MET  51  -2.128   7.814  -5.342
  377   1HB   MET  51          1HB       MET  51   0.271   6.422  -4.025
  378   2HB   MET  51          2HB       MET  51  -0.902   5.645  -5.070
  379   1HG   MET  51          1HG       MET  51  -0.150   6.841  -7.008
  380   2HG   MET  51          2HG       MET  51   0.690   8.044  -6.050
  381   1HE   MET  51          3HE       MET  51   0.768   5.505  -8.197
  382   2HE   MET  51          1HE       MET  51   2.486   5.868  -8.488
  383   3HE   MET  51          2HE       MET  51   2.010   4.286  -7.824
  384    H    ILE  52           H        ILE  52  -0.408   7.358  -2.164
  385    HA   ILE  52           HA       ILE  52  -2.189   5.765  -0.910
  386    HB   ILE  52           HB       ILE  52  -0.461   8.013   0.077
  387   1HG1  ILE  52          1HG1      ILE  52  -0.288   5.002   0.023
  388   2HG1  ILE  52          2HG1      ILE  52   0.819   6.177  -0.658
  389   1HG2  ILE  52          1HG2      ILE  52  -2.665   6.791   1.501
  390   2HG2  ILE  52          2HG2      ILE  52  -1.112   6.430   2.293
  391   3HG2  ILE  52          3HG2      ILE  52  -1.585   8.119   1.989
  392   1HD1  ILE  52          1HD1      ILE  52   0.951   6.965   1.932
  393   2HD1  ILE  52          2HD1      ILE  52   0.534   5.252   2.177
  394   3HD1  ILE  52          3HD1      ILE  52   1.999   5.689   1.266
  395    H    ASN  53           H        ASN  53  -2.376   9.365  -1.232
  396    HA   ASN  53           HA       ASN  53  -4.520   9.839   0.303
  397   1HB   ASN  53          1HB       ASN  53  -3.361  11.049  -2.167
  398   2HB   ASN  53          2HB       ASN  53  -5.045  11.457  -1.905
  399   1HD2  ASN  53          2HD2      ASN  53  -2.502  13.752  -0.158
  400   2HD2  ASN  53          1HD2      ASN  53  -2.499  12.998  -1.718
  401    H    GLU  54           H        GLU  54  -4.421   8.688  -3.137
  402    HA   GLU  54           HA       GLU  54  -7.086   8.781  -3.685
  403   1HB   GLU  54          1HB       GLU  54  -5.065   6.687  -4.605
  404   2HB   GLU  54          2HB       GLU  54  -6.601   7.014  -5.383
  405   1HG   GLU  54          1HG       GLU  54  -5.642   9.540  -5.384
  406   2HG   GLU  54          2HG       GLU  54  -4.105   8.700  -5.319
  407    H    VAL  55           H        VAL  55  -5.217   6.383  -1.801
  408    HA   VAL  55           HA       VAL  55  -7.725   4.925  -1.334
  409    HB   VAL  55           HB       VAL  55  -5.765   3.283  -0.427
  410   1HG1  VAL  55          3HG1      VAL  55  -7.450   3.495  -2.813
  411   2HG1  VAL  55          1HG1      VAL  55  -5.972   2.543  -3.090
  412   3HG1  VAL  55          2HG1      VAL  55  -7.092   2.088  -1.783
  413   1HG2  VAL  55          1HG2      VAL  55  -4.048   4.937  -1.288
  414   2HG2  VAL  55          2HG2      VAL  55  -3.878   3.268  -1.881
  415   3HG2  VAL  55          3HG2      VAL  55  -4.587   4.517  -2.932
  416    H    ASP  56           H        ASP  56  -7.037   7.468  -0.067
  417    HA   ASP  56           HA       ASP  56  -7.229   6.533   2.625
  418   1HB   ASP  56          1HB       ASP  56  -4.895   6.748   2.758
  419   2HB   ASP  56          2HB       ASP  56  -4.838   8.026   1.560
  420    H    ALA  57           H        ALA  57  -9.271   7.580   2.788
  421    HA   ALA  57           HA       ALA  57  -9.452  10.348   1.900
  422   1HB   ALA  57          3HB       ALA  57 -11.362   8.126   2.564
  423   2HB   ALA  57          1HB       ALA  57 -11.924   9.806   2.732
  424   3HB   ALA  57          2HB       ALA  57 -11.331   9.219   1.160
  425    H    ASP  58           H        ASP  58  -8.628   8.538   4.678
  426    HA   ASP  58           HA       ASP  58  -9.868  10.230   6.574
  427   1HB   ASP  58          1HB       ASP  58  -9.139   8.654   8.049
  428   2HB   ASP  58          2HB       ASP  58  -8.666   7.739   6.632
  429    H    GLY  59           H        GLY  59  -6.692   9.937   4.916
  430   1HA   GLY  59          1HA       GLY  59  -5.101  11.522   4.585
  431   2HA   GLY  59          2HA       GLY  59  -6.019  12.659   5.553
  432    H    ASN  60           H        ASN  60  -5.092   9.371   6.653
  433    HA   ASN  60           HA       ASN  60  -3.905  10.511   8.955
  434   1HB   ASN  60          1HB       ASN  60  -3.522   8.146   9.620
  435   2HB   ASN  60          2HB       ASN  60  -5.157   8.349   9.022
  436   1HD2  ASN  60          2HD2      ASN  60  -3.680   5.272   7.542
  437   2HD2  ASN  60          1HD2      ASN  60  -3.983   5.890   9.132
  438    H    GLY  61           H        GLY  61  -2.895   9.503   5.756
  439   1HA   GLY  61          1HA       GLY  61  -0.781  10.144   4.921
  440   2HA   GLY  61          2HA       GLY  61  -0.076   9.907   6.507
  441    H    THR  62           H        THR  62  -1.643   7.326   6.926
  442    HA   THR  62           HA       THR  62   0.068   5.649   5.217
  443    HB   THR  62           HB       THR  62   0.185   4.152   7.084
  444    HG1  THR  62           HG1      THR  62  -1.743   3.949   8.147
  445   1HG2  THR  62          3HG2      THR  62   0.901   6.808   7.533
  446   2HG2  THR  62          1HG2      THR  62  -0.217   6.487   8.880
  447   3HG2  THR  62          2HG2      THR  62   1.226   5.469   8.660
  448    H    ILE  63           H        ILE  63  -0.899   3.355   4.893
  449    HA   ILE  63           HA       ILE  63  -3.707   3.747   4.122
  450    HB   ILE  63           HB       ILE  63  -1.463   2.268   2.762
  451   1HG1  ILE  63          1HG1      ILE  63  -2.281   4.871   2.509
  452   2HG1  ILE  63          2HG1      ILE  63  -1.417   3.953   1.292
  453   1HG2  ILE  63          3HG2      ILE  63  -4.438   1.963   2.444
  454   2HG2  ILE  63          1HG2      ILE  63  -3.341   1.720   1.064
  455   3HG2  ILE  63          2HG2      ILE  63  -3.171   0.715   2.524
  456   1HD1  ILE  63          1HD1      ILE  63  -4.430   3.727   1.428
  457   2HD1  ILE  63          2HD1      ILE  63  -3.689   5.155   0.667
  458   3HD1  ILE  63          3HD1      ILE  63  -3.350   3.529   0.027
  459    H    ASP  64           H        ASP  64  -5.206   2.182   4.703
  460    HA   ASP  64           HA       ASP  64  -4.133   0.198   6.537
  461   1HB   ASP  64          1HB       ASP  64  -7.007   1.170   6.182
  462   2HB   ASP  64          2HB       ASP  64  -6.445   0.084   7.437
  463    H    PHE  65           H        PHE  65  -6.321  -1.614   6.562
  464    HA   PHE  65           HA       PHE  65  -5.910  -2.951   4.068
  465   1HB   PHE  65          1HB       PHE  65  -6.094  -3.943   6.455
  466   2HB   PHE  65          2HB       PHE  65  -7.795  -3.524   6.431
  467    HD1  PHE  65           HD2      PHE  65  -5.701  -4.989   3.720
  468    HD2  PHE  65           HD1      PHE  65  -8.909  -5.563   6.439
  469    HE1  PHE  65           HE2      PHE  65  -6.228  -7.189   2.633
  470    HE2  PHE  65           HE1      PHE  65  -9.435  -7.764   5.352
  471    HZ   PHE  65           HZ       PHE  65  -8.089  -8.550   3.462
  472    HA   PRO  66           HA       PRO  66 -10.528  -1.895   3.760
  473   1HB   PRO  66          1HB       PRO  66 -11.562   0.064   5.360
  474   2HB   PRO  66          2HB       PRO  66 -11.685  -1.643   5.734
  475   1HG   PRO  66          1HG       PRO  66  -9.923   0.397   6.946
  476   2HG   PRO  66          2HG       PRO  66 -10.368  -1.179   7.570
  477   1HD   PRO  66          1HD       PRO  66  -7.875  -0.458   6.349
  478   2HD   PRO  66          2HD       PRO  66  -8.364  -2.059   6.867
  479    H    GLU  67           H        GLU  67  -8.021   0.326   4.055
  480    HA   GLU  67           HA       GLU  67  -9.404   2.203   2.345
  481   1HB   GLU  67          1HB       GLU  67  -6.574   2.453   3.432
  482   2HB   GLU  67          2HB       GLU  67  -7.606   3.736   2.833
  483   1HG   GLU  67          1HG       GLU  67  -9.032   3.659   4.741
  484   2HG   GLU  67          2HG       GLU  67  -8.504   2.050   5.191
  485    H    PHE  68           H        PHE  68  -7.039  -0.393   2.275
  486    HA   PHE  68           HA       PHE  68  -6.052   0.439  -0.327
  487   1HB   PHE  68          1HB       PHE  68  -4.305  -0.462   0.999
  488   2HB   PHE  68          2HB       PHE  68  -5.393  -1.512   1.884
  489    HD1  PHE  68           HD2      PHE  68  -3.361  -1.167  -1.141
  490    HD2  PHE  68           HD1      PHE  68  -5.937  -3.725   1.056
  491    HE1  PHE  68           HE2      PHE  68  -2.621  -3.115  -2.540
  492    HE2  PHE  68           HE1      PHE  68  -5.198  -5.672  -0.343
  493    HZ   PHE  68           HZ       PHE  68  -3.548  -5.344  -2.125
  494    H    LEU  69           H        LEU  69  -8.124  -2.028   1.241
  495    HA   LEU  69           HA       LEU  69  -8.338  -3.930  -0.643
  496   1HB   LEU  69          1HB       LEU  69 -10.298  -2.678   1.231
  497   2HB   LEU  69          2HB       LEU  69 -10.879  -3.846   0.060
  498    HG   LEU  69           HG       LEU  69  -8.552  -4.504   1.857
  499   1HD1  LEU  69          2HD1      LEU  69 -11.459  -4.390   2.578
  500   2HD1  LEU  69          3HD1      LEU  69 -10.430  -5.672   3.263
  501   3HD1  LEU  69          1HD1      LEU  69 -10.023  -3.961   3.539
  502   1HD2  LEU  69          1HD2      LEU  69  -9.183  -5.913  -0.160
  503   2HD2  LEU  69          2HD2      LEU  69  -9.079  -6.759   1.403
  504   3HD2  LEU  69          3HD2      LEU  69 -10.669  -6.336   0.724
  505    H    THR  70           H        THR  70  -9.695  -0.613  -0.766
  506    HA   THR  70           HA       THR  70 -11.312  -0.968  -3.014
  507    HB   THR  70           HB       THR  70 -11.489   0.990  -1.556
  508    HG1  THR  70           HG1      THR  70 -10.191   1.703  -4.089
  509   1HG2  THR  70          3HG2      THR  70  -8.731   0.972  -1.397
  510   2HG2  THR  70          1HG2      THR  70  -8.992   2.258  -2.600
  511   3HG2  THR  70          2HG2      THR  70  -9.733   2.385  -0.987
  512    H    MET  71           H        MET  71  -7.821  -0.104  -2.737
  513    HA   MET  71           HA       MET  71  -7.311   0.519  -5.296
  514   1HB   MET  71          1HB       MET  71  -5.849  -0.187  -2.983
  515   2HB   MET  71          2HB       MET  71  -5.307  -1.359  -4.168
  516   1HG   MET  71          1HG       MET  71  -5.408   1.209  -5.479
  517   2HG   MET  71          2HG       MET  71  -4.583   1.432  -3.949
  518   1HE   MET  71          2HE       MET  71  -4.221   1.354  -7.085
  519   2HE   MET  71          3HE       MET  71  -2.456   1.149  -7.178
  520   3HE   MET  71          1HE       MET  71  -3.534  -0.148  -7.747
  521    H    MET  72           H        MET  72  -7.381  -2.827  -3.889
  522    HA   MET  72           HA       MET  72  -6.717  -4.108  -6.248
  523   1HB   MET  72          1HB       MET  72  -8.423  -5.031  -3.868
  524   2HB   MET  72          2HB       MET  72  -7.759  -6.117  -5.073
  525   1HG   MET  72          1HG       MET  72  -5.638  -4.393  -4.064
  526   2HG   MET  72          2HG       MET  72  -6.472  -5.136  -2.713
  527   1HE   MET  72          3HE       MET  72  -4.539  -5.493  -5.909
  528   2HE   MET  72          1HE       MET  72  -3.372  -5.689  -4.579
  529   3HE   MET  72          2HE       MET  72  -3.682  -7.039  -5.697
  530    H    ALA  73           H        ALA  73  -9.910  -3.187  -4.838
  531    HA   ALA  73           HA       ALA  73 -11.566  -4.535  -6.555
  532   1HB   ALA  73          1HB       ALA  73 -11.872  -2.803  -4.488
  533   2HB   ALA  73          2HB       ALA  73 -12.314  -1.739  -5.845
  534   3HB   ALA  73          3HB       ALA  73 -13.198  -3.262  -5.584
  535    H    ARG  74           H        ARG  74  -9.904  -1.356  -6.997
  536    HA   ARG  74           HA       ARG  74 -10.946  -1.302  -9.690
  537   1HB   ARG  74          1HB       ARG  74  -9.729   0.719  -7.812
  538   2HB   ARG  74          2HB       ARG  74  -9.520   1.002  -9.529
  539   1HG   ARG  74          1HG       ARG  74 -11.706   1.590  -9.812
  540   2HG   ARG  74          2HG       ARG  74 -12.284   0.215  -8.891
  541   1HD   ARG  74          1HD       ARG  74 -12.901   2.343  -7.772
  542   2HD   ARG  74          2HD       ARG  74 -11.819   1.405  -6.762
  543    HE   ARG  74           HE       ARG  74 -10.210   3.089  -6.973
  544   1HH1  ARG  74          2HH2      ARG  74 -12.574   3.439  -9.556
  545   2HH1  ARG  74          1HH2      ARG  74 -11.920   4.939 -10.125
  546   1HH2  ARG  74          2HH1      ARG  74  -9.346   5.067  -7.723
  547   2HH2  ARG  74          1HH1      ARG  74 -10.071   5.870  -9.075
  548    H    LYS  75           H        LYS  75  -9.203  -3.400  -9.444
  549    HA   LYS  75           HA       LYS  75  -6.512  -2.950  -9.617
  550   1HB   LYS  75          1HB       LYS  75  -8.386  -5.086 -10.293
  551   2HB   LYS  75          2HB       LYS  75  -7.004  -5.063 -11.369
  552   1HG   LYS  75          1HG       LYS  75  -5.445  -5.148  -9.479
  553   2HG   LYS  75          2HG       LYS  75  -6.750  -4.938  -8.329
  554   1HD   LYS  75          1HD       LYS  75  -6.627  -7.237  -8.217
  555   2HD   LYS  75          2HD       LYS  75  -7.697  -7.138  -9.601
  556   1HE   LYS  75          1HE       LYS  75  -5.529  -7.084 -11.053
  557   2HE   LYS  75          2HE       LYS  75  -4.686  -7.591  -9.603
  558   1HZ   LYS  75          3HZ       LYS  75  -7.041  -9.036 -10.566
  559   2HZ   LYS  75          1HZ       LYS  75  -5.546  -9.373 -11.130
  560   3HZ   LYS  75          2HZ       LYS  75  -5.880  -9.560  -9.543
   
  No H/Q in entry =         560
  Start of MODEL   10
    1    H    MET   0           H        MET   0 -30.268 -20.382   5.439
    2    HA   MET   0           HA       MET   0 -29.072 -20.931   2.877
    3   1HB   MET   0          1HB       MET   0 -31.855 -20.474   3.984
    4   2HB   MET   0          2HB       MET   0 -31.610 -20.165   2.277
    5   1HG   MET   0          1HG       MET   0 -30.314 -22.662   2.847
    6   2HG   MET   0          2HG       MET   0 -31.879 -22.720   3.635
    7   1HE   MET   0          2HE       MET   0 -29.871 -22.712   0.447
    8   2HE   MET   0          3HE       MET   0 -31.026 -22.336  -0.854
    9   3HE   MET   0          1HE       MET   0 -30.494 -21.055   0.262
   10    H    ALA   1           H        ALA   1 -27.989 -19.332   1.816
   11    HA   ALA   1           HA       ALA   1 -29.229 -16.800   1.429
   12   1HB   ALA   1          3HB       ALA   1 -27.521 -17.110   3.715
   13   2HB   ALA   1          1HB       ALA   1 -26.678 -16.094   2.521
   14   3HB   ALA   1          2HB       ALA   1 -28.296 -15.629   3.101
   15    H    ASP   2           H        ASP   2 -27.272 -15.303   0.364
   16    HA   ASP   2           HA       ASP   2 -25.497 -16.986  -1.124
   17   1HB   ASP   2          1HB       ASP   2 -27.967 -16.525  -2.247
   18   2HB   ASP   2          2HB       ASP   2 -27.092 -15.129  -2.843
   19    H    GLN   3           H        GLN   3 -23.607 -15.798  -0.786
   20    HA   GLN   3           HA       GLN   3 -22.994 -13.503  -1.920
   21   1HB   GLN   3          1HB       GLN   3 -24.740 -12.944   0.396
   22   2HB   GLN   3          2HB       GLN   3 -23.221 -12.072   0.466
   23   1HG   GLN   3          1HG       GLN   3 -24.304 -12.002  -2.251
   24   2HG   GLN   3          2HG       GLN   3 -25.501 -11.429  -1.106
   25   1HE2  GLN   3          1HE2      GLN   3 -25.398  -9.322  -1.738
   26   2HE2  GLN   3          2HE2      GLN   3 -24.052  -8.275  -1.432
   27    H    LEU   4           H        LEU   4 -20.784 -13.393  -1.740
   28    HA   LEU   4           HA       LEU   4 -19.421 -15.144  -0.074
   29   1HB   LEU   4          1HB       LEU   4 -17.420 -13.793  -0.766
   30   2HB   LEU   4          2HB       LEU   4 -18.384 -14.489  -2.053
   31    HG   LEU   4           HG       LEU   4 -19.287 -11.798  -1.445
   32   1HD1  LEU   4          2HD1      LEU   4 -16.376 -12.237  -1.535
   33   2HD1  LEU   4          3HD1      LEU   4 -16.981 -10.997  -2.660
   34   3HD1  LEU   4          1HD1      LEU   4 -17.320 -10.859  -0.918
   35   1HD2  LEU   4          2HD2      LEU   4 -19.737 -13.144  -3.505
   36   2HD2  LEU   4          3HD2      LEU   4 -19.118 -11.504  -3.813
   37   3HD2  LEU   4          1HD2      LEU   4 -18.035 -12.908  -3.968
   38    H    THR   5           H        THR   5 -17.439 -14.069   1.332
   39    HA   THR   5           HA       THR   5 -18.403 -11.891   2.968
   40    HB   THR   5           HB       THR   5 -18.888 -13.129   4.889
   41    HG1  THR   5           HG1      THR   5 -17.255 -15.250   3.689
   42   1HG2  THR   5          3HG2      THR   5 -19.183 -15.327   2.773
   43   2HG2  THR   5          1HG2      THR   5 -19.977 -15.292   4.365
   44   3HG2  THR   5          2HG2      THR   5 -20.418 -14.094   3.125
   45    H    GLU   6           H        GLU   6 -16.648 -12.282   5.147
   46    HA   GLU   6           HA       GLU   6 -14.426 -11.083   4.274
   47   1HB   GLU   6          1HB       GLU   6 -14.824 -12.970   6.625
   48   2HB   GLU   6          2HB       GLU   6 -13.321 -12.102   6.384
   49   1HG   GLU   6          1HG       GLU   6 -14.797  -9.955   6.215
   50   2HG   GLU   6          2HG       GLU   6 -16.089 -10.937   6.877
   51    H    GLU   7           H        GLU   7 -15.161 -14.573   4.218
   52    HA   GLU   7           HA       GLU   7 -12.822 -15.761   3.997
   53   1HB   GLU   7          1HB       GLU   7 -15.299 -16.143   2.274
   54   2HB   GLU   7          2HB       GLU   7 -13.929 -17.233   2.178
   55   1HG   GLU   7          1HG       GLU   7 -14.430 -16.952   4.955
   56   2HG   GLU   7          2HG       GLU   7 -16.020 -17.065   4.227
   57    H    GLN   8           H        GLN   8 -14.307 -13.638   1.512
   58    HA   GLN   8           HA       GLN   8 -12.344 -14.218  -0.424
   59   1HB   GLN   8          1HB       GLN   8 -14.774 -12.658  -0.224
   60   2HB   GLN   8          2HB       GLN   8 -13.521 -11.653  -0.925
   61   1HG   GLN   8          1HG       GLN   8 -14.039 -12.684  -2.893
   62   2HG   GLN   8          2HG       GLN   8 -13.110 -14.036  -2.275
   63   1HE2  GLN   8          2HE2      GLN   8 -16.034 -15.842  -1.068
   64   2HE2  GLN   8          1HE2      GLN   8 -14.476 -15.316  -0.524
   65    H    ILE   9           H        ILE   9 -12.881 -11.550   1.958
   66    HA   ILE   9           HA       ILE   9 -10.788  -9.928   1.166
   67    HB   ILE   9           HB       ILE   9 -12.752  -9.833   3.026
   68   1HG1  ILE   9          1HG1      ILE   9 -11.255  -7.736   3.825
   69   2HG1  ILE   9          2HG1      ILE   9 -10.398  -8.141   2.351
   70   1HG2  ILE   9          3HG2      ILE   9 -11.461 -11.256   4.585
   71   2HG2  ILE   9          1HG2      ILE   9 -10.176 -10.024   4.610
   72   3HG2  ILE   9          2HG2      ILE   9 -11.796  -9.634   5.237
   73   1HD1  ILE   9          3HD1      ILE   9 -13.419  -8.002   2.295
   74   2HD1  ILE   9          1HD1      ILE   9 -12.468  -6.497   2.260
   75   3HD1  ILE   9          2HD1      ILE   9 -12.256  -7.714   0.979
   76    H    ALA  10           H        ALA  10 -10.857 -12.793   3.346
   77    HA   ALA  10           HA       ALA  10  -8.394 -12.668   4.457
   78   1HB   ALA  10          3HB       ALA  10 -10.357 -14.463   4.473
   79   2HB   ALA  10          1HB       ALA  10  -9.312 -15.279   3.286
   80   3HB   ALA  10          2HB       ALA  10  -8.694 -14.918   4.916
   81    H    GLU  11           H        GLU  11  -9.257 -13.544   1.083
   82    HA   GLU  11           HA       GLU  11  -6.701 -14.435   0.404
   83   1HB   GLU  11          1HB       GLU  11  -8.966 -13.329  -1.312
   84   2HB   GLU  11          2HB       GLU  11  -7.527 -14.083  -1.968
   85   1HG   GLU  11          1HG       GLU  11  -8.052 -16.169  -0.654
   86   2HG   GLU  11          2HG       GLU  11  -9.521 -15.411  -0.072
   87    H    PHE  12           H        PHE  12  -8.294 -11.224   0.407
   88    HA   PHE  12           HA       PHE  12  -6.226  -9.943  -1.048
   89   1HB   PHE  12          1HB       PHE  12  -8.513  -9.111   0.820
   90   2HB   PHE  12          2HB       PHE  12  -7.465  -7.908   0.095
   91    HD1  PHE  12           HD2      PHE  12  -7.125  -9.239  -2.613
   92    HD2  PHE  12           HD1      PHE  12 -10.556  -8.551  -0.211
   93    HE1  PHE  12           HE2      PHE  12  -8.563  -9.227  -4.670
   94    HE2  PHE  12           HE1      PHE  12 -11.993  -8.539  -2.269
   95    HZ   PHE  12           HZ       PHE  12 -10.980  -8.877  -4.474
   96    H    LYS  13           H        LYS  13  -6.898 -10.603   2.405
   97    HA   LYS  13           HA       LYS  13  -5.409  -8.832   3.725
   98   1HB   LYS  13          1HB       LYS  13  -5.769 -11.795   4.104
   99   2HB   LYS  13          2HB       LYS  13  -4.738 -10.892   5.194
  100   1HG   LYS  13          1HG       LYS  13  -6.921  -9.231   5.128
  101   2HG   LYS  13          2HG       LYS  13  -7.708 -10.771   4.852
  102   1HD   LYS  13          1HD       LYS  13  -5.665 -10.559   7.073
  103   2HD   LYS  13          2HD       LYS  13  -7.265  -9.893   7.333
  104   1HE   LYS  13          1HE       LYS  13  -7.296 -12.610   6.131
  105   2HE   LYS  13          2HE       LYS  13  -6.555 -12.556   7.719
  106   1HZ   LYS  13          3HZ       LYS  13  -8.676 -11.080   8.156
  107   2HZ   LYS  13          1HZ       LYS  13  -9.283 -12.021   6.967
  108   3HZ   LYS  13          2HZ       LYS  13  -8.692 -12.704   8.327
  109    H    GLU  14           H        GLU  14  -4.051 -11.810   2.146
  110    HA   GLU  14           HA       GLU  14  -1.440 -11.298   2.757
  111   1HB   GLU  14          1HB       GLU  14  -2.612 -12.653   0.288
  112   2HB   GLU  14          2HB       GLU  14  -0.925 -12.749   0.754
  113   1HG   GLU  14          1HG       GLU  14  -2.043 -13.491   3.118
  114   2HG   GLU  14          2HG       GLU  14  -3.330 -14.006   2.046
  115    H    ALA  15           H        ALA  15  -3.419 -10.166  -0.043
  116    HA   ALA  15           HA       ALA  15  -1.462  -9.028  -1.572
  117   1HB   ALA  15          1HB       ALA  15  -4.049  -9.259  -1.877
  118   2HB   ALA  15          2HB       ALA  15  -4.115  -7.659  -1.100
  119   3HB   ALA  15          3HB       ALA  15  -3.215  -7.873  -2.621
  120    H    PHE  16           H        PHE  16  -3.356  -7.440   1.097
  121    HA   PHE  16           HA       PHE  16  -2.096  -5.014   1.032
  122   1HB   PHE  16          1HB       PHE  16  -4.106  -5.828   2.414
  123   2HB   PHE  16          2HB       PHE  16  -2.990  -6.683   3.460
  124    HD1  PHE  16           HD1      PHE  16  -3.735  -3.259   2.196
  125    HD2  PHE  16           HD2      PHE  16  -2.131  -5.617   5.337
  126    HE1  PHE  16           HE1      PHE  16  -3.488  -1.202   3.613
  127    HE2  PHE  16           HE2      PHE  16  -1.884  -3.561   6.755
  128    HZ   PHE  16           HZ       PHE  16  -2.565  -1.378   5.876
  129    H    SER  17           H        SER  17  -0.969  -8.118   2.388
  130    HA   SER  17           HA       SER  17   1.002  -7.109   4.030
  131   1HB   SER  17          1HB       SER  17   0.075  -9.545   3.701
  132   2HB   SER  17          2HB       SER  17   1.319  -9.694   2.475
  133    HG   SER  17           HG       SER  17   2.874  -9.729   3.983
  134    H    LEU  18           H        LEU  18   1.160  -8.251   0.581
  135    HA   LEU  18           HA       LEU  18   3.750  -7.998   0.012
  136   1HB   LEU  18          1HB       LEU  18   1.260  -7.805  -1.431
  137   2HB   LEU  18          2HB       LEU  18   2.447  -6.722  -2.128
  138    HG   LEU  18           HG       LEU  18   3.923  -9.017  -1.819
  139   1HD1  LEU  18          3HD1      LEU  18   1.718 -10.131  -1.131
  140   2HD1  LEU  18          1HD1      LEU  18   1.262  -9.992  -2.846
  141   3HD1  LEU  18          2HD1      LEU  18   2.701 -10.931  -2.380
  142   1HD2  LEU  18          2HD2      LEU  18   2.289  -8.150  -4.220
  143   2HD2  LEU  18          3HD2      LEU  18   3.921  -7.589  -3.781
  144   3HD2  LEU  18          1HD2      LEU  18   3.660  -9.285  -4.253
  145    H    PHE  19           H        PHE  19   1.426  -5.203  -0.130
  146    HA   PHE  19           HA       PHE  19   3.467  -3.317  -0.520
  147   1HB   PHE  19          1HB       PHE  19   0.562  -3.351   0.435
  148   2HB   PHE  19          2HB       PHE  19   1.444  -1.836   0.428
  149    HD1  PHE  19           HD2      PHE  19   2.552  -1.163  -1.830
  150    HD2  PHE  19           HD1      PHE  19  -0.544  -4.045  -1.487
  151    HE1  PHE  19           HE2      PHE  19   1.989  -0.847  -4.255
  152    HE2  PHE  19           HE1      PHE  19  -1.106  -3.729  -3.913
  153    HZ   PHE  19           HZ       PHE  19   0.167  -2.134  -5.268
  154    H    ASP  20           H        ASP  20   1.726  -4.511   2.411
  155    HA   ASP  20           HA       ASP  20   3.063  -2.651   4.076
  156   1HB   ASP  20          1HB       ASP  20   0.948  -3.352   4.882
  157   2HB   ASP  20          2HB       ASP  20   1.242  -5.032   4.480
  158    H    LYS  21           H        LYS  21   5.354  -3.042   3.853
  159    HA   LYS  21           HA       LYS  21   6.270  -5.762   4.371
  160   1HB   LYS  21          1HB       LYS  21   8.313  -5.135   3.385
  161   2HB   LYS  21          2HB       LYS  21   7.074  -4.410   2.381
  162   1HG   LYS  21          1HG       LYS  21   7.967  -2.360   2.737
  163   2HG   LYS  21          2HG       LYS  21   7.666  -2.517   4.456
  164   1HD   LYS  21          1HD       LYS  21   9.871  -4.034   4.383
  165   2HD   LYS  21          2HD       LYS  21  10.185  -3.144   2.906
  166   1HE   LYS  21          1HE       LYS  21  10.370  -1.074   4.021
  167   2HE   LYS  21          2HE       LYS  21   9.383  -1.592   5.374
  168   1HZ   LYS  21          1HZ       LYS  21  11.817  -3.071   4.988
  169   2HZ   LYS  21          2HZ       LYS  21  12.014  -1.513   5.437
  170   3HZ   LYS  21          3HZ       LYS  21  11.135  -2.526   6.369
  171    H    ASP  22           H        ASP  22   5.020  -3.841   6.399
  172    HA   ASP  22           HA       ASP  22   7.338  -3.749   8.168
  173   1HB   ASP  22          1HB       ASP  22   6.586  -1.499   7.880
  174   2HB   ASP  22          2HB       ASP  22   4.897  -1.965   7.905
  175    H    GLY  23           H        GLY  23   4.439  -5.322   7.376
  176   1HA   GLY  23          1HA       GLY  23   2.906  -6.552   8.501
  177   2HA   GLY  23          2HA       GLY  23   4.317  -7.123   9.370
  178    H    ASP  24           H        ASP  24   1.911  -4.410   9.320
  179    HA   ASP  24           HA       ASP  24   1.956  -4.551  12.220
  180   1HB   ASP  24          1HB       ASP  24   1.775  -2.055  12.312
  181   2HB   ASP  24          2HB       ASP  24   3.306  -2.595  11.652
  182    H    GLY  25           H        GLY  25   0.415  -3.389   9.158
  183   1HA   GLY  25          1HA       GLY  25  -1.958  -4.332   9.062
  184   2HA   GLY  25          2HA       GLY  25  -2.212  -3.360  10.497
  185    H    THR  26           H        THR  26   0.073  -1.584   8.942
  186    HA   THR  26           HA       THR  26  -1.909  -0.177   7.276
  187    HB   THR  26           HB       THR  26  -1.138   1.900   8.196
  188    HG1  THR  26           HG1      THR  26   1.134   1.457   8.121
  189   1HG2  THR  26          3HG2      THR  26  -0.923  -0.131  10.482
  190   2HG2  THR  26          1HG2      THR  26  -1.136   1.626  10.676
  191   3HG2  THR  26          2HG2      THR  26  -2.430   0.648   9.943
  192    H    ILE  27           H        ILE  27  -0.841   1.307   5.631
  193    HA   ILE  27           HA       ILE  27   1.686   0.137   4.724
  194    HB   ILE  27           HB       ILE  27  -0.842   0.489   3.121
  195   1HG1  ILE  27          1HG1      ILE  27   0.917  -1.935   3.595
  196   2HG1  ILE  27          2HG1      ILE  27  -0.590  -1.609   4.426
  197   1HG2  ILE  27          3HG2      ILE  27   1.180   1.401   1.939
  198   2HG2  ILE  27          1HG2      ILE  27   1.882  -0.233   2.019
  199   3HG2  ILE  27          2HG2      ILE  27   0.371   0.043   1.120
  200   1HD1  ILE  27          2HD1      ILE  27  -0.294  -1.905   1.400
  201   2HD1  ILE  27          3HD1      ILE  27  -0.919  -3.154   2.503
  202   3HD1  ILE  27          1HD1      ILE  27  -1.821  -1.637   2.276
  203    H    THR  28           H        THR  28   2.928   1.906   5.338
  204    HA   THR  28           HA       THR  28   2.047   4.573   4.857
  205    HB   THR  28           HB       THR  28   3.588   3.868   6.712
  206    HG1  THR  28           HG1      THR  28   3.864   6.033   6.111
  207   1HG2  THR  28          3HG2      THR  28   4.917   2.280   4.997
  208   2HG2  THR  28          1HG2      THR  28   5.834   3.773   4.687
  209   3HG2  THR  28          2HG2      THR  28   5.775   3.090   6.330
  210    H    THR  29           H        THR  29   4.649   5.574   3.865
  211    HA   THR  29           HA       THR  29   4.036   5.222   1.047
  212    HB   THR  29           HB       THR  29   5.781   7.138   0.937
  213    HG1  THR  29           HG1      THR  29   6.290   7.956   3.083
  214   1HG2  THR  29          1HG2      THR  29   3.425   7.563   2.850
  215   2HG2  THR  29          2HG2      THR  29   4.283   8.831   1.942
  216   3HG2  THR  29          3HG2      THR  29   3.302   7.625   1.076
  217    H    LYS  30           H        LYS  30   6.882   4.869   3.259
  218    HA   LYS  30           HA       LYS  30   8.632   3.938   1.333
  219   1HB   LYS  30          1HB       LYS  30   8.539   4.221   4.192
  220   2HB   LYS  30          2HB       LYS  30   9.210   2.650   3.802
  221   1HG   LYS  30          1HG       LYS  30  10.187   4.995   2.188
  222   2HG   LYS  30          2HG       LYS  30  10.718   4.898   3.855
  223   1HD   LYS  30          1HD       LYS  30  11.101   2.286   3.025
  224   2HD   LYS  30          2HD       LYS  30  11.421   3.160   1.540
  225   1HE   LYS  30          1HE       LYS  30  12.688   4.072   4.146
  226   2HE   LYS  30          2HE       LYS  30  13.394   2.748   3.242
  227   1HZ   LYS  30          2HZ       LYS  30  12.864   4.723   1.418
  228   2HZ   LYS  30          3HZ       LYS  30  13.522   5.489   2.701
  229   3HZ   LYS  30          1HZ       LYS  30  14.328   4.267   1.978
  230    H    GLU  31           H        GLU  31   6.049   2.280   3.169
  231    HA   GLU  31           HA       GLU  31   6.886  -0.281   2.289
  232   1HB   GLU  31          1HB       GLU  31   4.280   0.668   3.558
  233   2HB   GLU  31          2HB       GLU  31   4.687  -1.014   3.284
  234   1HG   GLU  31          1HG       GLU  31   6.693  -0.791   4.735
  235   2HG   GLU  31          2HG       GLU  31   6.358   0.914   4.967
  236    H    LEU  32           H        LEU  32   4.994   2.347   0.977
  237    HA   LEU  32           HA       LEU  32   3.512   0.654  -0.825
  238   1HB   LEU  32          1HB       LEU  32   2.734   2.834   0.272
  239   2HB   LEU  32          2HB       LEU  32   3.740   3.654  -0.906
  240    HG   LEU  32           HG       LEU  32   2.344   2.113  -2.599
  241   1HD1  LEU  32          1HD1      LEU  32   0.497   2.489  -0.227
  242   2HD1  LEU  32          2HD1      LEU  32  -0.029   2.034  -1.866
  243   3HD1  LEU  32          3HD1      LEU  32   1.041   0.952  -0.942
  244   1HD2  LEU  32          1HD2      LEU  32   2.181   4.844  -1.635
  245   2HD2  LEU  32          2HD2      LEU  32   2.011   4.200  -3.285
  246   3HD2  LEU  32          3HD2      LEU  32   0.600   4.255  -2.201
  247    H    GLY  33           H        GLY  33   6.548   2.459  -0.713
  248   1HA   GLY  33          1HA       GLY  33   6.898   2.372  -3.596
  249   2HA   GLY  33          2HA       GLY  33   7.995   3.034  -2.400
  250    H    THR  34           H        THR  34   8.075   0.713  -0.617
  251    HA   THR  34           HA       THR  34  10.225  -0.644  -1.534
  252    HB   THR  34           HB       THR  34   8.122  -0.980   0.520
  253    HG1  THR  34           HG1      THR  34  10.271  -0.223   0.957
  254   1HG2  THR  34          3HG2      THR  34   9.535  -3.392  -0.696
  255   2HG2  THR  34          1HG2      THR  34   9.134  -3.342   1.037
  256   3HG2  THR  34          2HG2      THR  34   7.837  -3.256  -0.179
  257    H    VAL  35           H        VAL  35   6.856  -1.988  -1.733
  258    HA   VAL  35           HA       VAL  35   7.445  -4.186  -3.214
  259    HB   VAL  35           HB       VAL  35   5.082  -2.392  -2.929
  260   1HG1  VAL  35          1HG1      VAL  35   5.060  -2.975  -5.324
  261   2HG1  VAL  35          2HG1      VAL  35   5.171  -4.700  -4.902
  262   3HG1  VAL  35          3HG1      VAL  35   3.731  -3.762  -4.440
  263   1HG2  VAL  35          1HG2      VAL  35   5.654  -5.319  -2.372
  264   2HG2  VAL  35          2HG2      VAL  35   5.457  -4.002  -1.190
  265   3HG2  VAL  35          3HG2      VAL  35   4.062  -4.555  -2.147
  266    H    MET  36           H        MET  36   7.021  -0.791  -4.326
  267    HA   MET  36           HA       MET  36   7.111  -1.434  -7.043
  268   1HB   MET  36          1HB       MET  36   7.962   1.171  -5.664
  269   2HB   MET  36          2HB       MET  36   7.423   1.013  -7.323
  270   1HG   MET  36          1HG       MET  36   5.373  -0.159  -5.697
  271   2HG   MET  36          2HG       MET  36   5.822   1.345  -4.918
  272   1HE   MET  36          2HE       MET  36   3.273   0.699  -5.743
  273   2HE   MET  36          3HE       MET  36   2.637   2.105  -6.629
  274   3HE   MET  36          1HE       MET  36   2.893   0.560  -7.476
  275    H    ARG  37           H        ARG  37   9.616  -0.563  -4.612
  276    HA   ARG  37           HA       ARG  37  11.701  -0.018  -6.192
  277   1HB   ARG  37          1HB       ARG  37  11.690  -1.748  -3.668
  278   2HB   ARG  37          2HB       ARG  37  13.136  -1.036  -4.356
  279   1HG   ARG  37          1HG       ARG  37  10.732   0.691  -3.659
  280   2HG   ARG  37          2HG       ARG  37  11.904   0.249  -2.433
  281   1HD   ARG  37          1HD       ARG  37  13.483   1.694  -3.249
  282   2HD   ARG  37          2HD       ARG  37  13.186   1.228  -4.912
  283    HE   ARG  37           HE       ARG  37  10.935   2.681  -4.346
  284   1HH1  ARG  37          2HH2      ARG  37  14.352   3.353  -3.842
  285   2HH1  ARG  37          1HH2      ARG  37  14.168   5.069  -3.989
  286   1HH2  ARG  37          2HH1      ARG  37  10.691   4.945  -4.540
  287   2HH2  ARG  37          1HH1      ARG  37  12.071   5.981  -4.388
  288    H    SER  38           H        SER  38  10.180  -3.188  -5.572
  289    HA   SER  38           HA       SER  38  12.191  -4.388  -7.309
  290   1HB   SER  38          1HB       SER  38  10.574  -5.462  -4.996
  291   2HB   SER  38          2HB       SER  38  11.090  -6.572  -6.250
  292    HG   SER  38           HG       SER  38  12.532  -5.926  -4.207
  293    H    LEU  39           H        LEU  39  10.149  -2.850  -8.489
  294    HA   LEU  39           HA       LEU  39   8.745  -4.930  -9.933
  295   1HB   LEU  39          1HB       LEU  39   7.425  -3.796  -7.861
  296   2HB   LEU  39          2HB       LEU  39   7.022  -2.663  -9.136
  297    HG   LEU  39           HG       LEU  39   6.612  -5.646  -9.422
  298   1HD1  LEU  39          1HD1      LEU  39   5.376  -4.450  -7.453
  299   2HD1  LEU  39          2HD1      LEU  39   4.363  -3.776  -8.752
  300   3HD1  LEU  39          3HD1      LEU  39   4.484  -5.540  -8.542
  301   1HD2  LEU  39          3HD2      LEU  39   6.716  -4.126 -11.462
  302   2HD2  LEU  39          1HD2      LEU  39   5.265  -5.141 -11.285
  303   3HD2  LEU  39          2HD2      LEU  39   5.195  -3.410 -10.876
  304    H    GLY  40           H        GLY  40  11.033  -3.278 -10.535
  305   1HA   GLY  40          1HA       GLY  40  11.812  -1.956 -12.175
  306   2HA   GLY  40          2HA       GLY  40  10.352  -2.347 -13.062
  307    H    GLN  41           H        GLN  41   9.826  -0.898  -9.926
  308    HA   GLN  41           HA       GLN  41   9.391   1.660 -11.262
  309   1HB   GLN  41          1HB       GLN  41   7.673   0.126  -9.307
  310   2HB   GLN  41          2HB       GLN  41   7.593   1.877  -9.311
  311   1HG   GLN  41          1HG       GLN  41   7.199   1.754 -11.845
  312   2HG   GLN  41          2HG       GLN  41   7.048   0.017 -11.668
  313   1HE2  GLN  41          2HE2      GLN  41   3.936   0.033  -9.975
  314   2HE2  GLN  41          1HE2      GLN  41   5.425  -0.821 -10.212
  315    H    ASN  42           H        ASN  42   9.098   3.463  -9.360
  316    HA   ASN  42           HA       ASN  42  10.430   3.099  -6.990
  317   1HB   ASN  42          1HB       ASN  42  12.218   3.446  -9.278
  318   2HB   ASN  42          2HB       ASN  42  12.372   4.825  -8.208
  319   1HD2  ASN  42          2HD2      ASN  42  14.430   3.186  -5.984
  320   2HD2  ASN  42          1HD2      ASN  42  13.908   4.630  -6.787
  321    HA   PRO  43           HA       PRO  43   8.281   7.056  -7.980
  322   1HB   PRO  43          1HB       PRO  43   6.066   6.734  -6.412
  323   2HB   PRO  43          2HB       PRO  43   6.097   6.341  -8.119
  324   1HG   PRO  43          1HG       PRO  43   6.148   4.514  -5.796
  325   2HG   PRO  43          2HG       PRO  43   5.755   4.156  -7.466
  326   1HD   PRO  43          1HD       PRO  43   8.209   3.546  -6.112
  327   2HD   PRO  43          2HD       PRO  43   7.858   3.293  -7.810
  328    H    THR  44           H        THR  44   9.031   8.853  -7.059
  329    HA   THR  44           HA       THR  44  10.411   8.750  -4.680
  330    HB   THR  44           HB       THR  44  10.155  11.274  -4.809
  331    HG1  THR  44           HG1      THR  44   8.165  11.703  -5.711
  332   1HG2  THR  44          3HG2      THR  44  11.597   9.770  -6.526
  333   2HG2  THR  44          1HG2      THR  44  10.380  10.364  -7.680
  334   3HG2  THR  44          2HG2      THR  44  11.395  11.520  -6.784
  335    H    GLU  45           H        GLU  45   9.784  10.329  -2.739
  336    HA   GLU  45           HA       GLU  45   7.664   8.978  -1.484
  337   1HB   GLU  45          1HB       GLU  45   9.232   9.587   0.088
  338   2HB   GLU  45          2HB       GLU  45   9.676  11.056  -0.758
  339   1HG   GLU  45          1HG       GLU  45   7.684  12.216   0.046
  340   2HG   GLU  45          2HG       GLU  45   7.011  10.733   0.691
  341    H    ALA  46           H        ALA  46   7.803  11.667  -3.621
  342    HA   ALA  46           HA       ALA  46   5.541  13.051  -2.503
  343   1HB   ALA  46          2HB       ALA  46   7.551  14.038  -3.802
  344   2HB   ALA  46          3HB       ALA  46   6.737  13.426  -5.261
  345   3HB   ALA  46          1HB       ALA  46   5.926  14.625  -4.226
  346    H    GLU  47           H        GLU  47   6.275  10.887  -5.306
  347    HA   GLU  47           HA       GLU  47   3.766  11.006  -6.431
  348   1HB   GLU  47          1HB       GLU  47   5.767  10.058  -7.549
  349   2HB   GLU  47          2HB       GLU  47   5.773   8.709  -6.430
  350   1HG   GLU  47          1HG       GLU  47   4.298   7.594  -7.738
  351   2HG   GLU  47          2HG       GLU  47   3.121   8.875  -7.527
  352    H    LEU  48           H        LEU  48   5.150   8.458  -4.227
  353    HA   LEU  48           HA       LEU  48   2.977   6.881  -3.946
  354   1HB   LEU  48          1HB       LEU  48   4.954   7.722  -1.823
  355   2HB   LEU  48          2HB       LEU  48   3.854   6.365  -1.682
  356    HG   LEU  48           HG       LEU  48   5.712   6.467  -4.032
  357   1HD1  LEU  48          3HD1      LEU  48   6.520   5.792  -1.197
  358   2HD1  LEU  48          1HD1      LEU  48   7.407   5.224  -2.631
  359   3HD1  LEU  48          2HD1      LEU  48   7.261   6.968  -2.308
  360   1HD2  LEU  48          2HD2      LEU  48   3.981   4.523  -2.711
  361   2HD2  LEU  48          3HD2      LEU  48   4.659   4.530  -4.357
  362   3HD2  LEU  48          1HD2      LEU  48   5.624   3.901  -2.999
  363    H    GLN  49           H        GLN  49   3.730   9.738  -1.824
  364    HA   GLN  49           HA       GLN  49   1.578   9.727  -0.274
  365   1HB   GLN  49          1HB       GLN  49   3.576  11.498  -0.722
  366   2HB   GLN  49          2HB       GLN  49   2.268  12.393  -1.469
  367   1HG   GLN  49          1HG       GLN  49   1.943  13.139   0.687
  368   2HG   GLN  49          2HG       GLN  49   0.995  11.671   0.813
  369   1HE2  GLN  49          2HE2      GLN  49   2.831  10.681   3.572
  370   2HE2  GLN  49          1HE2      GLN  49   1.306  11.019   2.823
  371    H    ASP  50           H        ASP  50   1.719  11.000  -3.656
  372    HA   ASP  50           HA       ASP  50  -0.837  12.013  -3.713
  373   1HB   ASP  50          1HB       ASP  50   1.310  11.474  -5.560
  374   2HB   ASP  50          2HB       ASP  50  -0.162  10.853  -6.279
  375    H    MET  51           H        MET  51   0.519   8.737  -4.423
  376    HA   MET  51           HA       MET  51  -1.839   7.652  -5.424
  377   1HB   MET  51          1HB       MET  51   0.477   6.276  -3.951
  378   2HB   MET  51          2HB       MET  51  -0.663   5.474  -5.013
  379   1HG   MET  51          1HG       MET  51   0.165   6.650  -6.960
  380   2HG   MET  51          2HG       MET  51   1.060   7.795  -5.981
  381   1HE   MET  51          1HE       MET  51   2.333   6.395  -8.339
  382   2HE   MET  51          2HE       MET  51   3.236   4.889  -8.048
  383   3HE   MET  51          3HE       MET  51   1.463   4.849  -8.198
  384    H    ILE  52           H        ILE  52  -0.353   7.585  -2.116
  385    HA   ILE  52           HA       ILE  52  -2.338   6.001  -0.957
  386    HB   ILE  52           HB       ILE  52  -0.290   7.930   0.085
  387   1HG1  ILE  52          1HG1      ILE  52  -0.568   4.981  -0.228
  388   2HG1  ILE  52          2HG1      ILE  52   0.829   6.013  -0.458
  389   1HG2  ILE  52          2HG2      ILE  52  -2.358   6.433   1.714
  390   2HG2  ILE  52          3HG2      ILE  52  -0.878   7.162   2.381
  391   3HG2  ILE  52          1HG2      ILE  52  -2.115   8.193   1.624
  392   1HD1  ILE  52          1HD1      ILE  52   0.985   6.327   2.032
  393   2HD1  ILE  52          2HD1      ILE  52  -0.377   5.197   2.225
  394   3HD1  ILE  52          3HD1      ILE  52   1.162   4.627   1.537
  395    H    ASN  53           H        ASN  53  -2.253   9.380  -1.932
  396    HA   ASN  53           HA       ASN  53  -4.403  10.104  -0.217
  397   1HB   ASN  53          1HB       ASN  53  -2.738  11.428  -2.348
  398   2HB   ASN  53          2HB       ASN  53  -4.328  12.112  -2.075
  399   1HD2  ASN  53          2HD2      ASN  53  -1.649  13.656   0.124
  400   2HD2  ASN  53          1HD2      ASN  53  -1.743  13.275  -1.563
  401    H    GLU  54           H        GLU  54  -4.311   7.992  -2.694
  402    HA   GLU  54           HA       GLU  54  -6.665   9.048  -4.038
  403   1HB   GLU  54          1HB       GLU  54  -4.734   6.831  -4.851
  404   2HB   GLU  54          2HB       GLU  54  -6.157   7.283  -5.769
  405   1HG   GLU  54          1HG       GLU  54  -4.885   9.743  -5.343
  406   2HG   GLU  54          2HG       GLU  54  -3.539   8.644  -5.574
  407    H    VAL  55           H        VAL  55  -5.512   6.666  -1.767
  408    HA   VAL  55           HA       VAL  55  -8.054   5.214  -2.013
  409    HB   VAL  55           HB       VAL  55  -6.425   3.671  -0.443
  410   1HG1  VAL  55          2HG1      VAL  55  -7.902   3.192  -2.537
  411   2HG1  VAL  55          3HG1      VAL  55  -6.378   3.364  -3.439
  412   3HG1  VAL  55          1HG1      VAL  55  -6.528   2.120  -2.176
  413   1HG2  VAL  55          1HG2      VAL  55  -4.489   5.132  -0.867
  414   2HG2  VAL  55          2HG2      VAL  55  -4.252   3.510  -1.561
  415   3HG2  VAL  55          3HG2      VAL  55  -4.681   4.877  -2.618
  416    H    ASP  56           H        ASP  56  -5.652   6.694   0.240
  417    HA   ASP  56           HA       ASP  56  -7.299   6.247   2.482
  418   1HB   ASP  56          1HB       ASP  56  -4.886   6.492   2.753
  419   2HB   ASP  56          2HB       ASP  56  -4.902   8.059   1.967
  420    H    ALA  57           H        ALA  57  -9.298   7.318   2.550
  421    HA   ALA  57           HA       ALA  57  -9.451  10.016   1.466
  422   1HB   ALA  57          2HB       ALA  57 -11.110   7.889   1.219
  423   2HB   ALA  57          3HB       ALA  57 -11.824   8.656   2.658
  424   3HB   ALA  57          1HB       ALA  57 -11.674   9.575   1.141
  425    H    ASP  58           H        ASP  58  -8.877   8.370   4.430
  426    HA   ASP  58           HA       ASP  58 -10.227  10.187   6.108
  427   1HB   ASP  58          1HB       ASP  58  -9.577   8.739   7.748
  428   2HB   ASP  58          2HB       ASP  58  -9.042   7.718   6.427
  429    H    GLY  59           H        GLY  59  -6.947   9.830   4.686
  430   1HA   GLY  59          1HA       GLY  59  -5.374  11.439   4.342
  431   2HA   GLY  59          2HA       GLY  59  -6.337  12.594   5.242
  432    H    ASN  60           H        ASN  60  -5.458   9.352   6.494
  433    HA   ASN  60           HA       ASN  60  -4.331  10.585   8.783
  434   1HB   ASN  60          1HB       ASN  60  -4.027   8.258   9.582
  435   2HB   ASN  60          2HB       ASN  60  -5.629   8.444   8.896
  436   1HD2  ASN  60          2HD2      ASN  60  -3.797   5.330   7.691
  437   2HD2  ASN  60          1HD2      ASN  60  -3.996   6.063   9.248
  438    H    GLY  61           H        GLY  61  -3.241   9.441   5.664
  439   1HA   GLY  61          1HA       GLY  61  -1.087  10.009   4.879
  440   2HA   GLY  61          2HA       GLY  61  -0.439   9.803   6.494
  441    H    THR  62           H        THR  62  -1.821   7.292   7.131
  442    HA   THR  62           HA       THR  62  -0.183   5.523   5.468
  443    HB   THR  62           HB       THR  62  -1.592   4.778   8.055
  444    HG1  THR  62           HG1      THR  62  -0.429   6.496   8.855
  445   1HG2  THR  62          2HG2      THR  62   1.180   4.147   6.913
  446   2HG2  THR  62          3HG2      THR  62   0.476   3.462   8.397
  447   3HG2  THR  62          1HG2      THR  62  -0.222   3.056   6.811
  448    H    ILE  63           H        ILE  63  -1.116   3.288   5.052
  449    HA   ILE  63           HA       ILE  63  -3.932   3.631   4.286
  450    HB   ILE  63           HB       ILE  63  -1.671   2.200   2.896
  451   1HG1  ILE  63          1HG1      ILE  63  -2.292   4.804   2.724
  452   2HG1  ILE  63          2HG1      ILE  63  -1.664   3.874   1.378
  453   1HG2  ILE  63          3HG2      ILE  63  -4.647   1.959   2.536
  454   2HG2  ILE  63          1HG2      ILE  63  -3.538   1.745   1.160
  455   3HG2  ILE  63          2HG2      ILE  63  -3.403   0.687   2.585
  456   1HD1  ILE  63          3HD1      ILE  63  -4.654   4.044   1.893
  457   2HD1  ILE  63          1HD1      ILE  63  -3.797   5.298   0.965
  458   3HD1  ILE  63          2HD1      ILE  63  -3.813   3.615   0.384
  459    H    ASP  64           H        ASP  64  -5.394   2.036   4.856
  460    HA   ASP  64           HA       ASP  64  -4.252  -0.024   6.566
  461   1HB   ASP  64          1HB       ASP  64  -7.085   1.115   6.444
  462   2HB   ASP  64          2HB       ASP  64  -6.579  -0.163   7.531
  463    H    PHE  65           H        PHE  65  -6.478  -1.792   6.640
  464    HA   PHE  65           HA       PHE  65  -6.213  -3.072   4.118
  465   1HB   PHE  65          1HB       PHE  65  -6.500  -4.031   6.542
  466   2HB   PHE  65          2HB       PHE  65  -8.191  -3.591   6.411
  467    HD1  PHE  65           HD1      PHE  65  -6.037  -5.019   3.744
  468    HD2  PHE  65           HD2      PHE  65  -9.242  -5.683   6.444
  469    HE1  PHE  65           HE1      PHE  65  -6.522  -7.214   2.628
  470    HE2  PHE  65           HE2      PHE  65  -9.727  -7.878   5.328
  471    HZ   PHE  65           HZ       PHE  65  -8.361  -8.618   3.434
  472    HA   PRO  66           HA       PRO  66 -10.750  -1.705   3.823
  473   1HB   PRO  66          1HB       PRO  66 -11.651   0.298   5.450
  474   2HB   PRO  66          2HB       PRO  66 -11.890  -1.403   5.800
  475   1HG   PRO  66          1HG       PRO  66  -9.995   0.497   7.041
  476   2HG   PRO  66          2HG       PRO  66 -10.547  -1.054   7.643
  477   1HD   PRO  66          1HD       PRO  66  -8.009  -0.487   6.433
  478   2HD   PRO  66          2HD       PRO  66  -8.606  -2.058   6.929
  479    H    GLU  67           H        GLU  67  -8.072   0.279   4.082
  480    HA   GLU  67           HA       GLU  67  -9.334   2.265   2.386
  481   1HB   GLU  67          1HB       GLU  67  -6.514   2.417   3.498
  482   2HB   GLU  67          2HB       GLU  67  -7.540   3.734   2.967
  483   1HG   GLU  67          1HG       GLU  67  -8.949   3.581   4.890
  484   2HG   GLU  67          2HG       GLU  67  -8.401   1.962   5.278
  485    H    PHE  68           H        PHE  68  -7.205  -0.495   2.342
  486    HA   PHE  68           HA       PHE  68  -6.082   0.303  -0.227
  487   1HB   PHE  68          1HB       PHE  68  -4.388  -0.641   1.136
  488   2HB   PHE  68          2HB       PHE  68  -5.526  -1.640   2.019
  489    HD1  PHE  68           HD1      PHE  68  -6.464  -3.704   0.842
  490    HD2  PHE  68           HD2      PHE  68  -3.108  -1.548  -0.606
  491    HE1  PHE  68           HE1      PHE  68  -5.771  -5.696  -0.519
  492    HE2  PHE  68           HE2      PHE  68  -2.415  -3.540  -1.967
  493    HZ   PHE  68           HZ       PHE  68  -3.755  -5.591  -1.907
  494    H    LEU  69           H        LEU  69  -8.335  -1.992   1.320
  495    HA   LEU  69           HA       LEU  69  -8.555  -3.927  -0.571
  496   1HB   LEU  69          1HB       LEU  69 -10.483  -2.640   1.317
  497   2HB   LEU  69          2HB       LEU  69 -11.085  -3.797   0.147
  498    HG   LEU  69           HG       LEU  69  -8.782  -4.471   1.977
  499   1HD1  LEU  69          2HD1      LEU  69 -11.739  -4.590   2.580
  500   2HD1  LEU  69          3HD1      LEU  69 -10.544  -5.612   3.414
  501   3HD1  LEU  69          1HD1      LEU  69 -10.436  -3.839   3.533
  502   1HD2  LEU  69          1HD2      LEU  69  -9.286  -5.873  -0.054
  503   2HD2  LEU  69          2HD2      LEU  69  -9.314  -6.738   1.501
  504   3HD2  LEU  69          3HD2      LEU  69 -10.841  -6.286   0.706
  505    H    THR  70           H        THR  70  -9.537  -0.528  -0.764
  506    HA   THR  70           HA       THR  70 -11.262  -0.845  -2.996
  507    HB   THR  70           HB       THR  70 -11.548   1.113  -1.653
  508    HG1  THR  70           HG1      THR  70  -9.742   1.912  -3.815
  509   1HG2  THR  70          3HG2      THR  70  -8.518   1.358  -1.893
  510   2HG2  THR  70          1HG2      THR  70  -9.528   2.771  -1.503
  511   3HG2  THR  70          2HG2      THR  70  -9.508   1.363  -0.414
  512    H    MET  71           H        MET  71  -7.747  -0.259  -2.604
  513    HA   MET  71           HA       MET  71  -7.212   0.442  -5.195
  514   1HB   MET  71          1HB       MET  71  -5.789  -0.312  -2.814
  515   2HB   MET  71          2HB       MET  71  -5.138  -1.314  -4.096
  516   1HG   MET  71          1HG       MET  71  -5.430   1.361  -5.144
  517   2HG   MET  71          2HG       MET  71  -4.638   1.486  -3.587
  518   1HE   MET  71          1HE       MET  71  -2.994   2.557  -4.795
  519   2HE   MET  71          2HE       MET  71  -1.457   1.690  -5.030
  520   3HE   MET  71          3HE       MET  71  -2.501   2.045  -6.427
  521    H    MET  72           H        MET  72  -7.589  -2.815  -3.705
  522    HA   MET  72           HA       MET  72  -6.740  -4.186  -6.003
  523   1HB   MET  72          1HB       MET  72  -8.494  -5.037  -3.631
  524   2HB   MET  72          2HB       MET  72  -7.807  -6.159  -4.789
  525   1HG   MET  72          1HG       MET  72  -5.737  -4.367  -3.738
  526   2HG   MET  72          2HG       MET  72  -6.573  -5.179  -2.429
  527   1HE   MET  72          1HE       MET  72  -3.947  -5.015  -4.522
  528   2HE   MET  72          2HE       MET  72  -3.179  -6.620  -4.552
  529   3HE   MET  72          3HE       MET  72  -4.299  -6.145  -5.851
  530    H    ALA  73           H        ALA  73  -9.941  -3.152  -4.715
  531    HA   ALA  73           HA       ALA  73 -11.529  -4.572  -6.501
  532   1HB   ALA  73          2HB       ALA  73 -12.205  -3.333  -4.389
  533   2HB   ALA  73          3HB       ALA  73 -12.103  -1.826  -5.330
  534   3HB   ALA  73          1HB       ALA  73 -13.276  -3.084  -5.788
  535    H    ARG  74           H        ARG  74  -9.981  -1.314  -6.726
  536    HA   ARG  74           HA       ARG  74 -10.764  -1.337  -9.529
  537   1HB   ARG  74          1HB       ARG  74 -10.444   1.168  -9.424
  538   2HB   ARG  74          2HB       ARG  74 -11.711   0.593  -8.360
  539   1HG   ARG  74          1HG       ARG  74 -10.609   1.301  -6.496
  540   2HG   ARG  74          2HG       ARG  74  -9.107   0.558  -7.006
  541   1HD   ARG  74          1HD       ARG  74  -8.271   2.579  -7.615
  542   2HD   ARG  74          2HD       ARG  74  -9.601   2.826  -8.730
  543    HE   ARG  74           HE       ARG  74 -10.494   3.307  -6.030
  544   1HH1  ARG  74          2HH2      ARG  74  -8.550   4.747  -8.586
  545   2HH1  ARG  74          1HH2      ARG  74  -8.811   6.372  -8.044
  546   1HH2  ARG  74          2HH1      ARG  74 -10.838   5.450  -5.315
  547   2HH2  ARG  74          1HH1      ARG  74 -10.121   6.774  -6.171
  548    H    LYS  75           H        LYS  75  -8.719  -2.885  -9.476
  549    HA   LYS  75           HA       LYS  75  -6.200  -2.148  -8.916
  550   1HB   LYS  75          1HB       LYS  75  -7.486  -3.951 -10.856
  551   2HB   LYS  75          2HB       LYS  75  -5.876  -3.445 -11.325
  552   1HG   LYS  75          1HG       LYS  75  -4.885  -4.315  -9.328
  553   2HG   LYS  75          2HG       LYS  75  -6.424  -4.399  -8.492
  554   1HD   LYS  75          1HD       LYS  75  -5.790  -6.073 -10.964
  555   2HD   LYS  75          2HD       LYS  75  -5.490  -6.636  -9.332
  556   1HE   LYS  75          1HE       LYS  75  -7.947  -6.222  -8.806
  557   2HE   LYS  75          2HE       LYS  75  -8.199  -5.836 -10.496
  558   1HZ   LYS  75          2HZ       LYS  75  -7.157  -8.082 -10.923
  559   2HZ   LYS  75          3HZ       LYS  75  -7.403  -8.399  -9.340
  560   3HZ   LYS  75          1HZ       LYS  75  -8.672  -8.073 -10.314
   
  No H/Q in entry =         560
  Start of MODEL   11
    1    H    MET   0           H        MET   0 -26.241 -15.532   7.413
    2    HA   MET   0           HA       MET   0 -27.888 -16.845   6.331
    3   1HB   MET   0          1HB       MET   0 -29.248 -16.300   8.816
    4   2HB   MET   0          2HB       MET   0 -30.253 -15.632   7.545
    5   1HG   MET   0          1HG       MET   0 -30.894 -17.972   7.931
    6   2HG   MET   0          2HG       MET   0 -30.180 -17.830   6.337
    7   1HE   MET   0          2HE       MET   0 -29.817 -20.075   6.039
    8   2HE   MET   0          3HE       MET   0 -28.144 -19.623   5.633
    9   3HE   MET   0          1HE       MET   0 -28.458 -21.030   6.677
   10    H    ALA   1           H        ALA   1 -27.355 -15.575   4.539
   11    HA   ALA   1           HA       ALA   1 -29.189 -13.647   3.725
   12   1HB   ALA   1          1HB       ALA   1 -27.426 -12.580   5.592
   13   2HB   ALA   1          2HB       ALA   1 -26.686 -12.138   4.035
   14   3HB   ALA   1          3HB       ALA   1 -28.361 -11.654   4.393
   15    H    ASP   2           H        ASP   2 -28.153 -12.392   1.702
   16    HA   ASP   2           HA       ASP   2 -26.563 -14.424   0.353
   17   1HB   ASP   2          1HB       ASP   2 -28.732 -14.112  -0.704
   18   2HB   ASP   2          2HB       ASP   2 -28.567 -12.368  -0.668
   19    H    GLN   3           H        GLN   3 -24.415 -13.676   0.573
   20    HA   GLN   3           HA       GLN   3 -23.439 -11.717  -0.959
   21   1HB   GLN   3          1HB       GLN   3 -24.762 -10.535   1.337
   22   2HB   GLN   3          2HB       GLN   3 -23.044 -10.203   1.435
   23   1HG   GLN   3          1HG       GLN   3 -23.023  -8.943  -0.527
   24   2HG   GLN   3          2HG       GLN   3 -24.335  -9.848  -1.257
   25   1HE2  GLN   3          2HE2      GLN   3 -25.147  -6.297   0.133
   26   2HE2  GLN   3          1HE2      GLN   3 -23.680  -6.916  -0.550
   27    H    LEU   4           H        LEU   4 -21.204 -11.940  -0.982
   28    HA   LEU   4           HA       LEU   4 -20.032 -13.975   0.447
   29   1HB   LEU   4          1HB       LEU   4 -17.887 -12.945  -0.310
   30   2HB   LEU   4          2HB       LEU   4 -19.059 -13.290  -1.566
   31    HG   LEU   4           HG       LEU   4 -19.520 -10.611  -0.746
   32   1HD1  LEU   4          3HD1      LEU   4 -16.586 -11.253  -1.103
   33   2HD1  LEU   4          1HD1      LEU   4 -17.273  -9.624  -1.309
   34   3HD1  LEU   4          2HD1      LEU   4 -17.377 -10.441   0.269
   35   1HD2  LEU   4          2HD2      LEU   4 -19.510 -12.016  -3.057
   36   2HD2  LEU   4          3HD2      LEU   4 -19.543 -10.239  -2.967
   37   3HD2  LEU   4          1HD2      LEU   4 -18.003 -11.088  -3.240
   38    H    THR   5           H        THR   5 -17.743 -13.276   1.704
   39    HA   THR   5           HA       THR   5 -18.289 -11.199   3.641
   40    HB   THR   5           HB       THR   5 -18.688 -12.590   5.477
   41    HG1  THR   5           HG1      THR   5 -17.388 -14.660   3.850
   42   1HG2  THR   5          1HG2      THR   5 -19.464 -14.484   3.196
   43   2HG2  THR   5          2HG2      THR   5 -20.059 -14.568   4.872
   44   3HG2  THR   5          3HG2      THR   5 -20.506 -13.191   3.837
   45    H    GLU   6           H        GLU   6 -16.362 -12.052   5.557
   46    HA   GLU   6           HA       GLU   6 -14.123 -10.973   4.511
   47   1HB   GLU   6          1HB       GLU   6 -14.416 -13.011   6.757
   48   2HB   GLU   6          2HB       GLU   6 -12.922 -12.154   6.433
   49   1HG   GLU   6          1HG       GLU   6 -14.245  -9.966   6.644
   50   2HG   GLU   6          2HG       GLU   6 -15.606 -10.920   7.198
   51    H    GLU   7           H        GLU   7 -15.282 -14.328   4.281
   52    HA   GLU   7           HA       GLU   7 -13.144 -15.776   3.771
   53   1HB   GLU   7          1HB       GLU   7 -15.807 -15.685   2.323
   54   2HB   GLU   7          2HB       GLU   7 -14.597 -16.873   1.880
   55   1HG   GLU   7          1HG       GLU   7 -14.778 -16.861   4.756
   56   2HG   GLU   7          2HG       GLU   7 -16.413 -16.915   4.128
   57    H    GLN   8           H        GLN   8 -14.554 -13.325   1.544
   58    HA   GLN   8           HA       GLN   8 -12.728 -13.962  -0.525
   59   1HB   GLN   8          1HB       GLN   8 -15.116 -12.476  -0.276
   60   2HB   GLN   8          2HB       GLN   8 -13.903 -11.283  -0.695
   61   1HG   GLN   8          1HG       GLN   8 -13.378 -12.333  -2.749
   62   2HG   GLN   8          2HG       GLN   8 -13.978 -13.894  -2.225
   63   1HE2  GLN   8          1HE2      GLN   8 -16.343 -13.975  -1.684
   64   2HE2  GLN   8          2HE2      GLN   8 -17.445 -13.153  -2.737
   65    H    ILE   9           H        ILE   9 -13.059 -11.306   1.918
   66    HA   ILE   9           HA       ILE   9 -10.901  -9.792   1.111
   67    HB   ILE   9           HB       ILE   9 -12.797  -9.620   3.021
   68   1HG1  ILE   9          1HG1      ILE   9 -11.064  -7.688   3.858
   69   2HG1  ILE   9          2HG1      ILE   9 -10.380  -8.075   2.292
   70   1HG2  ILE   9          1HG2      ILE   9 -10.211 -10.237   4.472
   71   2HG2  ILE   9          2HG2      ILE   9 -11.626  -9.454   5.214
   72   3HG2  ILE   9          3HG2      ILE   9 -11.756 -11.114   4.585
   73   1HD1  ILE   9          2HD1      ILE   9 -13.369  -7.646   2.580
   74   2HD1  ILE   9          3HD1      ILE   9 -12.263  -6.261   2.421
   75   3HD1  ILE   9          1HD1      ILE   9 -12.354  -7.480   1.127
   76    H    ALA  10           H        ALA  10 -11.048 -12.670   3.280
   77    HA   ALA  10           HA       ALA  10  -8.574 -12.730   4.315
   78   1HB   ALA  10          1HB       ALA  10 -10.592 -14.438   4.304
   79   2HB   ALA  10          2HB       ALA  10  -9.648 -15.227   3.017
   80   3HB   ALA  10          3HB       ALA  10  -8.937 -15.005   4.633
   81    H    GLU  11           H        GLU  11  -9.504 -13.404   0.911
   82    HA   GLU  11           HA       GLU  11  -6.979 -14.345   0.169
   83   1HB   GLU  11          1HB       GLU  11  -9.238 -13.124  -1.475
   84   2HB   GLU  11          2HB       GLU  11  -7.824 -13.884  -2.178
   85   1HG   GLU  11          1HG       GLU  11  -8.377 -16.011  -0.961
   86   2HG   GLU  11          2HG       GLU  11  -9.806 -15.247  -0.293
   87    H    PHE  12           H        PHE  12  -8.554 -11.099   0.100
   88    HA   PHE  12           HA       PHE  12  -6.526  -9.793  -1.295
   89   1HB   PHE  12          1HB       PHE  12  -8.627  -9.022   0.802
   90   2HB   PHE  12          2HB       PHE  12  -7.595  -7.800   0.086
   91    HD1  PHE  12           HD2      PHE  12 -10.189 -10.320  -0.673
   92    HD2  PHE  12           HD1      PHE  12  -8.032  -6.948  -2.082
   93    HE1  PHE  12           HE2      PHE  12 -11.774 -10.116  -2.609
   94    HE2  PHE  12           HE1      PHE  12  -9.617  -6.744  -4.018
   95    HZ   PHE  12           HZ       PHE  12 -11.469  -8.330  -4.258
   96    H    LYS  13           H        LYS  13  -6.903 -10.679   2.147
   97    HA   LYS  13           HA       LYS  13  -5.244  -9.017   3.429
   98   1HB   LYS  13          1HB       LYS  13  -5.495 -12.023   3.707
   99   2HB   LYS  13          2HB       LYS  13  -4.622 -11.021   4.848
  100   1HG   LYS  13          1HG       LYS  13  -6.823  -9.588   4.950
  101   2HG   LYS  13          2HG       LYS  13  -7.590 -10.974   4.200
  102   1HD   LYS  13          1HD       LYS  13  -7.121 -12.401   6.053
  103   2HD   LYS  13          2HD       LYS  13  -5.866 -11.345   6.671
  104   1HE   LYS  13          1HE       LYS  13  -8.570 -10.091   6.469
  105   2HE   LYS  13          2HE       LYS  13  -8.452 -11.404   7.625
  106   1HZ   LYS  13          3HZ       LYS  13  -6.230 -10.011   8.116
  107   2HZ   LYS  13          1HZ       LYS  13  -7.264  -8.812   7.715
  108   3HZ   LYS  13          2HZ       LYS  13  -7.631  -9.833   8.936
  109    H    GLU  14           H        GLU  14  -4.074 -12.069   1.828
  110    HA   GLU  14           HA       GLU  14  -1.440 -11.653   2.162
  111   1HB   GLU  14          1HB       GLU  14  -2.910 -12.875  -0.210
  112   2HB   GLU  14          2HB       GLU  14  -1.173 -12.988  -0.007
  113   1HG   GLU  14          1HG       GLU  14  -1.959 -13.815   2.474
  114   2HG   GLU  14          2HG       GLU  14  -3.361 -14.321   1.552
  115    H    ALA  15           H        ALA  15  -3.607 -10.192  -0.302
  116    HA   ALA  15           HA       ALA  15  -1.652  -9.083  -1.933
  117   1HB   ALA  15          3HB       ALA  15  -4.429  -9.165  -1.796
  118   2HB   ALA  15          1HB       ALA  15  -4.061  -7.439  -1.569
  119   3HB   ALA  15          2HB       ALA  15  -3.471  -8.292  -3.015
  120    H    PHE  16           H        PHE  16  -3.480  -7.575   0.829
  121    HA   PHE  16           HA       PHE  16  -2.214  -5.162   0.838
  122   1HB   PHE  16          1HB       PHE  16  -4.169  -6.108   2.259
  123   2HB   PHE  16          2HB       PHE  16  -2.970  -6.902   3.260
  124    HD1  PHE  16           HD1      PHE  16  -3.458  -3.460   1.870
  125    HD2  PHE  16           HD2      PHE  16  -2.581  -5.853   5.263
  126    HE1  PHE  16           HE1      PHE  16  -3.265  -1.392   3.279
  127    HE2  PHE  16           HE2      PHE  16  -2.388  -3.785   6.672
  128    HZ   PHE  16           HZ       PHE  16  -2.732  -1.579   5.663
  129    H    SER  17           H        SER  17  -1.027  -8.318   2.001
  130    HA   SER  17           HA       SER  17   1.010  -7.351   3.604
  131   1HB   SER  17          1HB       SER  17   0.042  -9.780   3.243
  132   2HB   SER  17          2HB       SER  17   1.268  -9.907   1.998
  133    HG   SER  17           HG       SER  17   2.836 -10.000   3.484
  134    H    LEU  18           H        LEU  18   1.023  -8.457   0.137
  135    HA   LEU  18           HA       LEU  18   3.571  -8.224  -0.557
  136   1HB   LEU  18          1HB       LEU  18   1.026  -7.952  -1.865
  137   2HB   LEU  18          2HB       LEU  18   2.169  -6.828  -2.574
  138    HG   LEU  18           HG       LEU  18   3.662  -9.137  -2.446
  139   1HD1  LEU  18          1HD1      LEU  18   0.768  -9.879  -2.852
  140   2HD1  LEU  18          2HD1      LEU  18   2.094 -10.838  -3.553
  141   3HD1  LEU  18          3HD1      LEU  18   1.983 -10.629  -1.789
  142   1HD2  LEU  18          2HD2      LEU  18   3.563  -7.588  -4.323
  143   2HD2  LEU  18          3HD2      LEU  18   3.317  -9.264  -4.872
  144   3HD2  LEU  18          1HD2      LEU  18   1.927  -8.160  -4.732
  145    H    PHE  19           H        PHE  19   1.324  -5.428  -0.091
  146    HA   PHE  19           HA       PHE  19   3.473  -3.579  -0.575
  147   1HB   PHE  19          1HB       PHE  19   0.523  -3.503   0.242
  148   2HB   PHE  19          2HB       PHE  19   1.474  -2.032   0.289
  149    HD1  PHE  19           HD1      PHE  19   2.364  -1.063  -1.801
  150    HD2  PHE  19           HD2      PHE  19  -0.187  -4.454  -1.845
  151    HE1  PHE  19           HE1      PHE  19   1.919  -0.697  -4.244
  152    HE2  PHE  19           HE2      PHE  19  -0.631  -4.088  -4.288
  153    HZ   PHE  19           HZ       PHE  19   0.427  -2.214  -5.458
  154    H    ASP  20           H        ASP  20   1.398  -4.596   2.224
  155    HA   ASP  20           HA       ASP  20   2.765  -2.911   4.007
  156   1HB   ASP  20          1HB       ASP  20   0.592  -3.505   4.700
  157   2HB   ASP  20          2HB       ASP  20   0.785  -5.179   4.221
  158    H    LYS  21           H        LYS  21   4.912  -3.296   4.582
  159    HA   LYS  21           HA       LYS  21   5.617  -5.990   5.400
  160   1HB   LYS  21          1HB       LYS  21   7.559  -6.144   4.011
  161   2HB   LYS  21          2HB       LYS  21   6.174  -5.854   2.978
  162   1HG   LYS  21          1HG       LYS  21   7.102  -3.947   2.177
  163   2HG   LYS  21          2HG       LYS  21   7.261  -3.294   3.796
  164   1HD   LYS  21          1HD       LYS  21   9.475  -3.452   2.699
  165   2HD   LYS  21          2HD       LYS  21   9.408  -4.494   4.106
  166   1HE   LYS  21          1HE       LYS  21   8.628  -6.343   2.363
  167   2HE   LYS  21          2HE       LYS  21   9.341  -5.268   1.176
  168   1HZ   LYS  21          1HZ       LYS  21  11.257  -5.324   2.973
  169   2HZ   LYS  21          2HZ       LYS  21  10.628  -6.808   3.237
  170   3HZ   LYS  21          3HZ       LYS  21  11.165  -6.401   1.749
  171    H    ASP  22           H        ASP  22   5.130  -4.379   7.329
  172    HA   ASP  22           HA       ASP  22   7.747  -3.501   8.161
  173   1HB   ASP  22          1HB       ASP  22   7.110  -1.303   8.735
  174   2HB   ASP  22          2HB       ASP  22   6.336  -1.539   7.181
  175    H    GLY  23           H        GLY  23   4.207  -3.847   8.896
  176   1HA   GLY  23          1HA       GLY  23   3.534  -5.427  10.570
  177   2HA   GLY  23          2HA       GLY  23   4.938  -4.988  11.522
  178    H    ASP  24           H        ASP  24   1.668  -4.061  10.521
  179    HA   ASP  24           HA       ASP  24   1.040  -2.804  12.808
  180   1HB   ASP  24          1HB       ASP  24   1.062  -0.351  12.066
  181   2HB   ASP  24          2HB       ASP  24   2.619  -1.034  12.489
  182    H    GLY  25           H        GLY  25   0.186  -4.355  10.315
  183   1HA   GLY  25          1HA       GLY  25  -1.496  -4.463   8.799
  184   2HA   GLY  25          2HA       GLY  25  -2.446  -3.864  10.144
  185    H    THR  26           H        THR  26   0.158  -2.102   8.367
  186    HA   THR  26           HA       THR  26  -1.853  -0.453   7.052
  187    HB   THR  26           HB       THR  26  -0.824   0.312   9.524
  188    HG1  THR  26           HG1      THR  26  -1.996   2.134   8.869
  189   1HG2  THR  26          3HG2      THR  26   0.775   1.633   7.269
  190   2HG2  THR  26          1HG2      THR  26   0.621   2.305   8.910
  191   3HG2  THR  26          2HG2      THR  26   1.445   0.748   8.660
  192    H    ILE  27           H        ILE  27  -0.961   0.893   5.329
  193    HA   ILE  27           HA       ILE  27   1.638  -0.141   4.430
  194    HB   ILE  27           HB       ILE  27  -0.878   0.326   2.831
  195   1HG1  ILE  27          1HG1      ILE  27   0.769  -2.173   3.324
  196   2HG1  ILE  27          2HG1      ILE  27  -0.780  -1.807   4.056
  197   1HG2  ILE  27          3HG2      ILE  27   1.277   1.156   1.747
  198   2HG2  ILE  27          1HG2      ILE  27   1.780  -0.551   1.699
  199   3HG2  ILE  27          2HG2      ILE  27   0.313  -0.030   0.836
  200   1HD1  ILE  27          1HD1      ILE  27  -0.353  -1.958   1.039
  201   2HD1  ILE  27          2HD1      ILE  27  -0.913  -3.327   2.030
  202   3HD1  ILE  27          3HD1      ILE  27  -1.907  -1.856   1.901
  203    H    THR  28           H        THR  28   2.579   1.728   5.526
  204    HA   THR  28           HA       THR  28   1.789   4.355   4.993
  205    HB   THR  28           HB       THR  28   3.264   3.587   6.874
  206    HG1  THR  28           HG1      THR  28   4.713   5.435   6.530
  207   1HG2  THR  28          2HG2      THR  28   5.098   2.969   4.537
  208   2HG2  THR  28          3HG2      THR  28   5.804   3.547   6.066
  209   3HG2  THR  28          1HG2      THR  28   4.851   2.044   6.037
  210    H    THR  29           H        THR  29   4.442   5.414   4.165
  211    HA   THR  29           HA       THR  29   3.922   5.262   1.317
  212    HB   THR  29           HB       THR  29   5.887   7.057   1.506
  213    HG1  THR  29           HG1      THR  29   4.780   7.317   4.137
  214   1HG2  THR  29          3HG2      THR  29   3.011   7.273   2.400
  215   2HG2  THR  29          1HG2      THR  29   4.095   8.637   2.766
  216   3HG2  THR  29          2HG2      THR  29   3.845   8.126   1.079
  217    H    LYS  30           H        LYS  30   6.878   4.940   3.404
  218    HA   LYS  30           HA       LYS  30   8.609   4.034   1.572
  219   1HB   LYS  30          1HB       LYS  30   8.442   4.095   4.372
  220   2HB   LYS  30          2HB       LYS  30   8.814   2.428   3.986
  221   1HG   LYS  30          1HG       LYS  30  10.853   2.967   2.951
  222   2HG   LYS  30          2HG       LYS  30  10.335   4.586   2.525
  223   1HD   LYS  30          1HD       LYS  30  11.032   5.470   4.519
  224   2HD   LYS  30          2HD       LYS  30  10.383   4.134   5.450
  225   1HE   LYS  30          1HE       LYS  30  12.400   2.762   4.425
  226   2HE   LYS  30          2HE       LYS  30  13.081   4.338   4.074
  227   1HZ   LYS  30          1HZ       LYS  30  12.197   4.490   6.648
  228   2HZ   LYS  30          2HZ       LYS  30  12.891   3.015   6.547
  229   3HZ   LYS  30          3HZ       LYS  30  13.749   4.350   6.159
  230    H    GLU  31           H        GLU  31   6.268   1.937   3.393
  231    HA   GLU  31           HA       GLU  31   6.963  -0.395   2.131
  232   1HB   GLU  31          1HB       GLU  31   4.296   0.506   3.297
  233   2HB   GLU  31          2HB       GLU  31   4.618  -1.143   2.798
  234   1HG   GLU  31          1HG       GLU  31   6.497  -1.302   4.403
  235   2HG   GLU  31          2HG       GLU  31   6.292   0.380   4.850
  236    H    LEU  32           H        LEU  32   4.592   2.156   1.200
  237    HA   LEU  32           HA       LEU  32   3.537   0.738  -0.991
  238   1HB   LEU  32          1HB       LEU  32   2.654   2.786   0.335
  239   2HB   LEU  32          2HB       LEU  32   3.624   3.731  -0.778
  240    HG   LEU  32           HG       LEU  32   2.253   2.137  -2.524
  241   1HD1  LEU  32          2HD1      LEU  32   0.528   2.517  -0.081
  242   2HD1  LEU  32          3HD1      LEU  32  -0.170   2.357  -1.711
  243   3HD1  LEU  32          1HD1      LEU  32   0.821   1.042  -1.034
  244   1HD2  LEU  32          3HD2      LEU  32   2.358   4.872  -1.784
  245   2HD2  LEU  32          1HD2      LEU  32   1.809   4.157  -3.319
  246   3HD2  LEU  32          2HD2      LEU  32   0.644   4.447  -2.005
  247    H    GLY  33           H        GLY  33   6.528   2.480  -0.433
  248   1HA   GLY  33          1HA       GLY  33   7.051   2.664  -3.319
  249   2HA   GLY  33          2HA       GLY  33   7.946   3.450  -2.033
  250    H    THR  34           H        THR  34   7.020   0.122  -1.437
  251    HA   THR  34           HA       THR  34   9.814  -0.671  -1.904
  252    HB   THR  34           HB       THR  34   7.781  -1.137   0.219
  253    HG1  THR  34           HG1      THR  34   9.719  -0.353   0.982
  254   1HG2  THR  34          1HG2      THR  34   9.552  -3.390  -0.860
  255   2HG2  THR  34          2HG2      THR  34   8.886  -3.368   0.790
  256   3HG2  THR  34          3HG2      THR  34   7.790  -3.444  -0.610
  257    H    VAL  35           H        VAL  35   6.381  -1.671  -2.365
  258    HA   VAL  35           HA       VAL  35   7.062  -4.025  -3.763
  259    HB   VAL  35           HB       VAL  35   4.629  -2.397  -3.232
  260   1HG1  VAL  35          1HG1      VAL  35   4.761  -4.521  -5.399
  261   2HG1  VAL  35          2HG1      VAL  35   3.265  -3.831  -4.725
  262   3HG1  VAL  35          3HG1      VAL  35   4.398  -2.792  -5.622
  263   1HG2  VAL  35          2HG2      VAL  35   5.379  -5.320  -2.917
  264   2HG2  VAL  35          3HG2      VAL  35   5.224  -4.094  -1.635
  265   3HG2  VAL  35          1HG2      VAL  35   3.780  -4.647  -2.517
  266    H    MET  36           H        MET  36   6.891  -0.609  -4.603
  267    HA   MET  36           HA       MET  36   6.528  -1.016  -7.362
  268   1HB   MET  36          1HB       MET  36   7.763   1.324  -5.803
  269   2HB   MET  36          2HB       MET  36   7.240   1.409  -7.474
  270   1HG   MET  36          1HG       MET  36   5.066   0.332  -5.881
  271   2HG   MET  36          2HG       MET  36   5.653   1.791  -5.109
  272   1HE   MET  36          2HE       MET  36   4.737   0.144  -8.422
  273   2HE   MET  36          3HE       MET  36   3.159   0.557  -7.711
  274   3HE   MET  36          1HE       MET  36   3.695   1.353  -9.210
  275    H    ARG  37           H        ARG  37   9.393  -0.582  -5.215
  276    HA   ARG  37           HA       ARG  37  11.167  -0.560  -7.419
  277   1HB   ARG  37          1HB       ARG  37  12.941  -0.633  -5.645
  278   2HB   ARG  37          2HB       ARG  37  11.752   0.616  -5.334
  279   1HG   ARG  37          1HG       ARG  37  10.578  -0.851  -3.721
  280   2HG   ARG  37          2HG       ARG  37  11.669  -2.172  -4.087
  281   1HD   ARG  37          1HD       ARG  37  12.849  -1.383  -2.281
  282   2HD   ARG  37          2HD       ARG  37  13.495  -0.231  -3.432
  283    HE   ARG  37           HE       ARG  37  11.139   0.965  -2.574
  284   1HH1  ARG  37          2HH2      ARG  37  13.991  -0.301  -0.948
  285   2HH1  ARG  37          1HH2      ARG  37  13.875   0.798   0.386
  286   1HH2  ARG  37          2HH1      ARG  37  10.986   2.416  -0.815
  287   2HH2  ARG  37          1HH1      ARG  37  12.155   2.354   0.462
  288    H    SER  38           H        SER  38   9.291  -2.977  -6.093
  289    HA   SER  38           HA       SER  38  11.357  -4.998  -6.267
  290   1HB   SER  38          1HB       SER  38   9.715  -4.921  -4.324
  291   2HB   SER  38          2HB       SER  38   8.436  -5.316  -5.455
  292    HG   SER  38           HG       SER  38  10.179  -7.171  -5.988
  293    H    LEU  39           H        LEU  39   9.736  -3.353  -8.484
  294    HA   LEU  39           HA       LEU  39   9.246  -5.731 -10.123
  295   1HB   LEU  39          1HB       LEU  39   7.145  -4.586  -9.163
  296   2HB   LEU  39          2HB       LEU  39   7.500  -3.288 -10.286
  297    HG   LEU  39           HG       LEU  39   7.543  -5.885 -11.610
  298   1HD1  LEU  39          1HD1      LEU  39   5.211  -5.215  -9.866
  299   2HD1  LEU  39          2HD1      LEU  39   4.906  -5.935 -11.465
  300   3HD1  LEU  39          3HD1      LEU  39   5.920  -6.794 -10.280
  301   1HD2  LEU  39          2HD2      LEU  39   7.206  -3.315 -12.366
  302   2HD2  LEU  39          3HD2      LEU  39   6.668  -4.714 -13.328
  303   3HD2  LEU  39          1HD2      LEU  39   5.508  -3.846 -12.294
  304    H    GLY  40           H        GLY  40   9.113  -2.126 -10.547
  305   1HA   GLY  40          1HA       GLY  40  11.593  -1.924 -11.862
  306   2HA   GLY  40          2HA       GLY  40  10.336  -2.153 -13.062
  307    H    GLN  41           H        GLN  41   9.863  -0.531  -9.890
  308    HA   GLN  41           HA       GLN  41   9.723   1.997 -11.323
  309   1HB   GLN  41          1HB       GLN  41   7.607   0.717  -9.584
  310   2HB   GLN  41          2HB       GLN  41   7.728   2.464  -9.638
  311   1HG   GLN  41          1HG       GLN  41   6.849   2.576 -11.742
  312   2HG   GLN  41          2HG       GLN  41   7.861   1.272 -12.331
  313   1HE2  GLN  41          1HE2      GLN  41   4.808   2.201 -11.062
  314   2HE2  GLN  41          2HE2      GLN  41   3.994   0.675 -11.162
  315    H    ASN  42           H        ASN  42   9.264   3.796  -9.361
  316    HA   ASN  42           HA       ASN  42  10.323   3.297  -6.891
  317   1HB   ASN  42          1HB       ASN  42  12.478   2.862  -8.081
  318   2HB   ASN  42          2HB       ASN  42  12.380   4.427  -8.863
  319   1HD2  ASN  42          2HD2      ASN  42  14.619   4.497  -5.826
  320   2HD2  ASN  42          1HD2      ASN  42  14.484   3.471  -7.215
  321    HA   PRO  43           HA       PRO  43   8.536   7.400  -7.892
  322   1HB   PRO  43          1HB       PRO  43   6.309   7.246  -6.315
  323   2HB   PRO  43          2HB       PRO  43   6.310   6.826  -8.017
  324   1HG   PRO  43          1HG       PRO  43   6.250   5.035  -5.665
  325   2HG   PRO  43          2HG       PRO  43   5.829   4.678  -7.328
  326   1HD   PRO  43          1HD       PRO  43   8.243   3.931  -5.970
  327   2HD   PRO  43          2HD       PRO  43   7.871   3.675  -7.664
  328    H    THR  44           H        THR  44   8.411   9.381  -6.694
  329    HA   THR  44           HA       THR  44  10.146   9.194  -4.403
  330    HB   THR  44           HB       THR  44   9.986  11.697  -4.558
  331    HG1  THR  44           HG1      THR  44   8.415  12.511  -6.021
  332   1HG2  THR  44          3HG2      THR  44  11.510  10.473  -6.192
  333   2HG2  THR  44          1HG2      THR  44  10.155  10.442  -7.346
  334   3HG2  THR  44          2HG2      THR  44  10.855  11.997  -6.837
  335    H    GLU  45           H        GLU  45   9.675  10.078  -2.287
  336    HA   GLU  45           HA       GLU  45   7.462   8.984  -1.178
  337   1HB   GLU  45          1HB       GLU  45   9.680  10.405  -0.281
  338   2HB   GLU  45          2HB       GLU  45   8.356  11.453   0.188
  339   1HG   GLU  45          1HG       GLU  45   7.227   9.318   1.159
  340   2HG   GLU  45          2HG       GLU  45   8.784   8.538   0.960
  341    H    ALA  46           H        ALA  46   7.731  11.931  -3.042
  342    HA   ALA  46           HA       ALA  46   5.420  13.202  -1.961
  343   1HB   ALA  46          1HB       ALA  46   7.103  13.590  -4.462
  344   2HB   ALA  46          2HB       ALA  46   5.711  14.622  -4.055
  345   3HB   ALA  46          3HB       ALA  46   7.120  14.560  -2.970
  346    H    GLU  47           H        GLU  47   6.168  11.148  -4.841
  347    HA   GLU  47           HA       GLU  47   3.684  11.342  -6.004
  348   1HB   GLU  47          1HB       GLU  47   5.534  10.411  -7.239
  349   2HB   GLU  47          2HB       GLU  47   5.794   9.152  -6.049
  350   1HG   GLU  47          1HG       GLU  47   4.314   7.789  -7.094
  351   2HG   GLU  47          2HG       GLU  47   3.047   8.992  -6.952
  352    H    LEU  48           H        LEU  48   4.976   8.668  -3.894
  353    HA   LEU  48           HA       LEU  48   2.767   7.137  -3.697
  354   1HB   LEU  48          1HB       LEU  48   4.687   7.855  -1.477
  355   2HB   LEU  48          2HB       LEU  48   3.595   6.484  -1.470
  356    HG   LEU  48           HG       LEU  48   5.517   6.735  -3.750
  357   1HD1  LEU  48          3HD1      LEU  48   6.310   6.504  -0.929
  358   2HD1  LEU  48          1HD1      LEU  48   6.954   5.220  -1.979
  359   3HD1  LEU  48          2HD1      LEU  48   7.268   6.928  -2.368
  360   1HD2  LEU  48          2HD2      LEU  48   3.670   4.930  -3.354
  361   2HD2  LEU  48          3HD2      LEU  48   5.278   4.451  -3.949
  362   3HD2  LEU  48          1HD2      LEU  48   4.862   4.231  -2.232
  363    H    GLN  49           H        GLN  49   3.535   9.928  -1.495
  364    HA   GLN  49           HA       GLN  49   1.349   9.893   0.026
  365   1HB   GLN  49          1HB       GLN  49   3.403  11.652  -0.369
  366   2HB   GLN  49          2HB       GLN  49   2.077  12.601  -1.010
  367   1HG   GLN  49          1HG       GLN  49   1.815  13.199   1.198
  368   2HG   GLN  49          2HG       GLN  49   0.878  11.719   1.261
  369   1HE2  GLN  49          2HE2      GLN  49   2.818  10.459   3.821
  370   2HE2  GLN  49          1HE2      GLN  49   1.269  10.778   3.115
  371    H    ASP  50           H        ASP  50   1.596  11.185  -3.332
  372    HA   ASP  50           HA       ASP  50  -0.972  12.258  -3.371
  373   1HB   ASP  50          1HB       ASP  50   1.243  11.833  -5.203
  374   2HB   ASP  50          2HB       ASP  50  -0.245  11.369  -6.004
  375    H    MET  51           H        MET  51   0.457   9.043  -4.118
  376    HA   MET  51           HA       MET  51  -1.876   8.021  -5.320
  377   1HB   MET  51          1HB       MET  51   0.447   6.528  -3.982
  378   2HB   MET  51          2HB       MET  51  -0.647   5.861  -5.177
  379   1HG   MET  51          1HG       MET  51   0.235   7.260  -6.930
  380   2HG   MET  51          2HG       MET  51   1.045   8.318  -5.791
  381   1HE   MET  51          3HE       MET  51   0.908   5.519  -7.910
  382   2HE   MET  51          1HE       MET  51   2.530   6.040  -8.426
  383   3HE   MET  51          2HE       MET  51   2.313   4.463  -7.630
  384    H    ILE  52           H        ILE  52  -0.329   7.570  -2.062
  385    HA   ILE  52           HA       ILE  52  -2.095   5.818  -0.973
  386    HB   ILE  52           HB       ILE  52  -0.413   8.031   0.113
  387   1HG1  ILE  52          1HG1      ILE  52  -0.386   5.040   0.047
  388   2HG1  ILE  52          2HG1      ILE  52   0.892   6.181  -0.319
  389   1HG2  ILE  52          2HG2      ILE  52  -2.374   6.401   1.749
  390   2HG2  ILE  52          3HG2      ILE  52  -1.034   7.363   2.420
  391   3HG2  ILE  52          1HG2      ILE  52  -2.353   8.168   1.537
  392   1HD1  ILE  52          1HD1      ILE  52   0.950   6.802   2.150
  393   2HD1  ILE  52          2HD1      ILE  52  -0.183   5.460   2.441
  394   3HD1  ILE  52          3HD1      ILE  52   1.441   5.128   1.793
  395    H    ASN  53           H        ASN  53  -2.428   9.403  -1.267
  396    HA   ASN  53           HA       ASN  53  -4.669   9.740   0.192
  397   1HB   ASN  53          1HB       ASN  53  -3.326  11.124  -2.039
  398   2HB   ASN  53          2HB       ASN  53  -5.061  11.365  -2.103
  399   1HD2  ASN  53          2HD2      ASN  53  -2.903  13.622   0.300
  400   2HD2  ASN  53          1HD2      ASN  53  -2.405  12.794  -1.138
  401    H    GLU  54           H        GLU  54  -4.228   8.320  -3.058
  402    HA   GLU  54           HA       GLU  54  -6.869   8.471  -3.895
  403   1HB   GLU  54          1HB       GLU  54  -4.797   6.356  -4.626
  404   2HB   GLU  54          2HB       GLU  54  -6.218   6.775  -5.561
  405   1HG   GLU  54          1HG       GLU  54  -5.278   9.188  -5.643
  406   2HG   GLU  54          2HG       GLU  54  -3.785   8.526  -5.008
  407    H    VAL  55           H        VAL  55  -5.126   6.214  -1.761
  408    HA   VAL  55           HA       VAL  55  -7.636   4.715  -1.453
  409    HB   VAL  55           HB       VAL  55  -5.794   3.019  -0.496
  410   1HG1  VAL  55          1HG1      VAL  55  -7.299   3.331  -2.952
  411   2HG1  VAL  55          2HG1      VAL  55  -5.763   2.486  -3.257
  412   3HG1  VAL  55          3HG1      VAL  55  -6.901   1.853  -2.044
  413   1HG2  VAL  55          3HG2      VAL  55  -4.002   4.746  -1.185
  414   2HG2  VAL  55          1HG2      VAL  55  -3.745   3.043  -1.637
  415   3HG2  VAL  55          2HG2      VAL  55  -4.325   4.208  -2.851
  416    H    ASP  56           H        ASP  56  -6.966   7.254  -0.162
  417    HA   ASP  56           HA       ASP  56  -7.250   6.313   2.524
  418   1HB   ASP  56          1HB       ASP  56  -4.885   6.533   2.622
  419   2HB   ASP  56          2HB       ASP  56  -4.874   7.926   1.559
  420    H    ALA  57           H        ALA  57  -9.269   7.367   2.730
  421    HA   ALA  57           HA       ALA  57  -9.456  10.128   1.802
  422   1HB   ALA  57          2HB       ALA  57 -11.367   7.890   2.398
  423   2HB   ALA  57          3HB       ALA  57 -11.946   9.563   2.580
  424   3HB   ALA  57          1HB       ALA  57 -11.315   9.006   1.012
  425    H    ASP  58           H        ASP  58  -8.634   8.348   4.579
  426    HA   ASP  58           HA       ASP  58  -9.952  10.008   6.458
  427   1HB   ASP  58          1HB       ASP  58  -9.251   8.420   7.929
  428   2HB   ASP  58          2HB       ASP  58  -8.689   7.534   6.524
  429    H    GLY  59           H        GLY  59  -6.738   9.757   4.867
  430   1HA   GLY  59          1HA       GLY  59  -5.148  11.348   4.580
  431   2HA   GLY  59          2HA       GLY  59  -6.114  12.488   5.496
  432    H    ASN  60           H        ASN  60  -5.146   9.224   6.652
  433    HA   ASN  60           HA       ASN  60  -4.071  10.417   8.988
  434   1HB   ASN  60          1HB       ASN  60  -3.655   8.058   9.685
  435   2HB   ASN  60          2HB       ASN  60  -5.283   8.242   9.064
  436   1HD2  ASN  60          2HD2      ASN  60  -4.023   5.163   7.563
  437   2HD2  ASN  60          1HD2      ASN  60  -4.491   5.789   9.109
  438    H    GLY  61           H        GLY  61  -2.936   9.403   5.837
  439   1HA   GLY  61          1HA       GLY  61  -0.798  10.088   5.085
  440   2HA   GLY  61          2HA       GLY  61  -0.148   9.827   6.692
  441    H    THR  62           H        THR  62  -1.709   7.233   7.018
  442    HA   THR  62           HA       THR  62   0.044   5.593   5.312
  443    HB   THR  62           HB       THR  62   0.510   5.482   7.757
  444    HG1  THR  62           HG1      THR  62  -1.072   3.166   6.953
  445   1HG2  THR  62          3HG2      THR  62  -1.901   5.994   8.494
  446   2HG2  THR  62          1HG2      THR  62  -2.314   4.334   8.002
  447   3HG2  THR  62          2HG2      THR  62  -1.144   4.608   9.315
  448    H    ILE  63           H        ILE  63  -0.917   3.266   5.029
  449    HA   ILE  63           HA       ILE  63  -3.713   3.652   4.212
  450    HB   ILE  63           HB       ILE  63  -1.488   2.084   2.912
  451   1HG1  ILE  63          1HG1      ILE  63  -2.024   4.720   2.647
  452   2HG1  ILE  63          2HG1      ILE  63  -1.336   3.724   1.380
  453   1HG2  ILE  63          1HG2      ILE  63  -3.553   0.771   2.863
  454   2HG2  ILE  63          2HG2      ILE  63  -4.425   2.158   2.168
  455   3HG2  ILE  63          3HG2      ILE  63  -3.123   1.372   1.244
  456   1HD1  ILE  63          1HD1      ILE  63  -4.332   4.182   1.743
  457   2HD1  ILE  63          2HD1      ILE  63  -3.304   5.096   0.613
  458   3HD1  ILE  63          3HD1      ILE  63  -3.541   3.346   0.384
  459    H    ASP  64           H        ASP  64  -5.195   1.948   4.603
  460    HA   ASP  64           HA       ASP  64  -4.156   0.027   6.533
  461   1HB   ASP  64          1HB       ASP  64  -7.021   1.024   6.170
  462   2HB   ASP  64          2HB       ASP  64  -6.475  -0.074   7.422
  463    H    PHE  65           H        PHE  65  -6.344  -1.777   6.549
  464    HA   PHE  65           HA       PHE  65  -5.927  -3.124   4.068
  465   1HB   PHE  65          1HB       PHE  65  -6.172  -4.108   6.447
  466   2HB   PHE  65          2HB       PHE  65  -7.861  -3.642   6.406
  467    HD1  PHE  65           HD2      PHE  65  -5.757  -5.195   3.749
  468    HD2  PHE  65           HD1      PHE  65  -9.059  -5.627   6.380
  469    HE1  PHE  65           HE2      PHE  65  -6.336  -7.383   2.663
  470    HE2  PHE  65           HE1      PHE  65  -9.637  -7.815   5.295
  471    HZ   PHE  65           HZ       PHE  65  -8.269  -8.667   3.449
  472    HA   PRO  66           HA       PRO  66 -10.520  -1.998   3.655
  473   1HB   PRO  66          1HB       PRO  66 -11.567  -0.030   5.237
  474   2HB   PRO  66          2HB       PRO  66 -11.720  -1.737   5.603
  475   1HG   PRO  66          1HG       PRO  66  -9.961   0.277   6.863
  476   2HG   PRO  66          2HG       PRO  66 -10.441  -1.295   7.470
  477   1HD   PRO  66          1HD       PRO  66  -7.910  -0.603   6.311
  478   2HD   PRO  66          2HD       PRO  66  -8.432  -2.199   6.812
  479    H    GLU  67           H        GLU  67  -7.984   0.174   3.998
  480    HA   GLU  67           HA       GLU  67  -9.304   2.091   2.285
  481   1HB   GLU  67          1HB       GLU  67  -6.463   2.304   3.330
  482   2HB   GLU  67          2HB       GLU  67  -7.536   3.599   2.837
  483   1HG   GLU  67          1HG       GLU  67  -8.516   1.851   5.070
  484   2HG   GLU  67          2HG       GLU  67  -7.152   2.885   5.443
  485    H    PHE  68           H        PHE  68  -6.918  -0.511   2.247
  486    HA   PHE  68           HA       PHE  68  -5.921   0.298  -0.351
  487   1HB   PHE  68          1HB       PHE  68  -4.202  -0.649   0.974
  488   2HB   PHE  68          2HB       PHE  68  -5.319  -1.668   1.861
  489    HD1  PHE  68           HD2      PHE  68  -6.269  -3.719   0.649
  490    HD2  PHE  68           HD1      PHE  68  -2.914  -1.539  -0.766
  491    HE1  PHE  68           HE2      PHE  68  -5.572  -5.691  -0.739
  492    HE2  PHE  68           HE1      PHE  68  -2.218  -3.511  -2.154
  493    HZ   PHE  68           HZ       PHE  68  -3.555  -5.563  -2.124
  494    H    LEU  69           H        LEU  69  -8.026  -2.172   1.181
  495    HA   LEU  69           HA       LEU  69  -8.268  -4.052  -0.701
  496   1HB   LEU  69          1HB       LEU  69 -10.244  -2.739   1.115
  497   2HB   LEU  69          2HB       LEU  69 -10.820  -3.906  -0.059
  498    HG   LEU  69           HG       LEU  69  -8.540  -4.621   1.769
  499   1HD1  LEU  69          1HD1      LEU  69 -11.443  -4.386   2.500
  500   2HD1  LEU  69          2HD1      LEU  69 -10.435  -5.661   3.226
  501   3HD1  LEU  69          3HD1      LEU  69  -9.992  -3.949   3.434
  502   1HD2  LEU  69          3HD2      LEU  69  -9.275  -6.031  -0.225
  503   2HD2  LEU  69          1HD2      LEU  69  -9.155  -6.850   1.350
  504   3HD2  LEU  69          2HD2      LEU  69 -10.748  -6.384   0.708
  505    H    THR  70           H        THR  70  -9.713  -0.750  -0.823
  506    HA   THR  70           HA       THR  70 -11.237  -1.051  -3.101
  507    HB   THR  70           HB       THR  70 -11.310   0.930  -1.638
  508    HG1  THR  70           HG1      THR  70 -10.115   1.514  -4.254
  509   1HG2  THR  70          2HG2      THR  70  -8.624   0.877  -1.430
  510   2HG2  THR  70          3HG2      THR  70  -8.735   1.956  -2.841
  511   3HG2  THR  70          1HG2      THR  70  -9.519   2.411  -1.310
  512    H    MET  71           H        MET  71  -7.745  -0.122  -2.867
  513    HA   MET  71           HA       MET  71  -7.221   0.362  -5.430
  514   1HB   MET  71          1HB       MET  71  -5.766  -0.309  -3.092
  515   2HB   MET  71          2HB       MET  71  -5.223  -1.492  -4.265
  516   1HG   MET  71          1HG       MET  71  -5.350   1.115  -5.548
  517   2HG   MET  71          2HG       MET  71  -4.440   1.259  -4.058
  518   1HE   MET  71          1HE       MET  71  -2.824   2.080  -5.584
  519   2HE   MET  71          2HE       MET  71  -1.420   1.059  -5.977
  520   3HE   MET  71          3HE       MET  71  -2.672   1.362  -7.206
  521    H    MET  72           H        MET  72  -7.106  -2.958  -3.939
  522    HA   MET  72           HA       MET  72  -6.513  -4.307  -6.237
  523   1HB   MET  72          1HB       MET  72  -8.218  -5.106  -3.815
  524   2HB   MET  72          2HB       MET  72  -7.662  -6.262  -5.008
  525   1HG   MET  72          1HG       MET  72  -5.470  -4.548  -4.013
  526   2HG   MET  72          2HG       MET  72  -6.250  -5.440  -2.722
  527   1HE   MET  72          2HE       MET  72  -3.560  -5.314  -4.901
  528   2HE   MET  72          3HE       MET  72  -3.204  -6.929  -5.560
  529   3HE   MET  72          1HE       MET  72  -4.446  -5.910  -6.326
  530    H    ALA  73           H        ALA  73  -9.712  -3.276  -4.935
  531    HA   ALA  73           HA       ALA  73 -11.401  -4.674  -6.538
  532   1HB   ALA  73          2HB       ALA  73 -11.868  -2.970  -4.668
  533   2HB   ALA  73          3HB       ALA  73 -11.748  -1.722  -5.932
  534   3HB   ALA  73          1HB       ALA  73 -12.998  -2.984  -6.043
  535    H    ARG  74           H        ARG  74  -9.550  -1.674  -7.329
  536    HA   ARG  74           HA       ARG  74 -10.490  -1.986 -10.056
  537   1HB   ARG  74          1HB       ARG  74  -8.855   0.396  -9.179
  538   2HB   ARG  74          2HB       ARG  74 -10.153   0.324 -10.354
  539   1HG   ARG  74          1HG       ARG  74 -11.437   1.238  -8.699
  540   2HG   ARG  74          2HG       ARG  74 -11.507  -0.392  -8.060
  541   1HD   ARG  74          1HD       ARG  74 -10.780   0.872  -6.194
  542   2HD   ARG  74          2HD       ARG  74  -9.285   0.199  -6.812
  543    HE   ARG  74           HE       ARG  74 -10.187   3.024  -7.105
  544   1HH1  ARG  74          2HH2      ARG  74  -7.725   0.573  -7.665
  545   2HH1  ARG  74          1HH2      ARG  74  -6.484   1.722  -8.041
  546   1HH2  ARG  74          2HH1      ARG  74  -8.551   4.540  -7.601
  547   2HH2  ARG  74          1HH1      ARG  74  -6.958   3.994  -8.004
  548    H    LYS  75           H        LYS  75  -8.815  -3.959  -9.788
  549    HA   LYS  75           HA       LYS  75  -6.160  -3.737  -9.556
  550   1HB   LYS  75          1HB       LYS  75  -7.950  -5.630 -10.539
  551   2HB   LYS  75          2HB       LYS  75  -6.856  -5.365 -11.881
  552   1HG   LYS  75          1HG       LYS  75  -5.239  -5.460  -9.514
  553   2HG   LYS  75          2HG       LYS  75  -6.371  -6.793  -9.400
  554   1HD   LYS  75          1HD       LYS  75  -5.058  -6.374 -12.070
  555   2HD   LYS  75          2HD       LYS  75  -4.030  -6.957 -10.775
  556   1HE   LYS  75          1HE       LYS  75  -5.371  -8.925 -10.441
  557   2HE   LYS  75          2HE       LYS  75  -6.715  -8.267 -11.352
  558   1HZ   LYS  75          2HZ       LYS  75  -5.049  -8.230 -13.260
  559   2HZ   LYS  75          3HZ       LYS  75  -4.171  -9.273 -12.361
  560   3HZ   LYS  75          1HZ       LYS  75  -5.686  -9.670 -12.824
   
  No H/Q in entry =         560
  Start of MODEL   12
    1    H    MET   0           H        MET   0  -8.141 -23.599   2.238
    2    HA   MET   0           HA       MET   0  -8.879 -24.637   0.024
    3   1HB   MET   0          1HB       MET   0  -9.034 -26.890   1.358
    4   2HB   MET   0          2HB       MET   0 -10.523 -26.259   2.032
    5   1HG   MET   0          1HG       MET   0 -10.645 -25.847  -0.815
    6   2HG   MET   0          2HG       MET   0 -10.101 -27.492  -0.555
    7   1HE   MET   0          2HE       MET   0 -12.525 -26.185  -1.823
    8   2HE   MET   0          3HE       MET   0 -14.021 -26.979  -1.275
    9   3HE   MET   0          1HE       MET   0 -13.570 -25.384  -0.625
   10    H    ALA   1           H        ALA   1 -10.163 -23.770   3.240
   11    HA   ALA   1           HA       ALA   1 -12.700 -22.990   2.650
   12   1HB   ALA   1          3HB       ALA   1 -11.152 -22.905   4.830
   13   2HB   ALA   1          1HB       ALA   1 -11.016 -21.194   4.363
   14   3HB   ALA   1          2HB       ALA   1 -12.617 -21.904   4.683
   15    H    ASP   2           H        ASP   2 -13.139 -22.055   0.661
   16    HA   ASP   2           HA       ASP   2 -11.906 -19.443   0.295
   17   1HB   ASP   2          1HB       ASP   2 -12.263 -19.955  -2.242
   18   2HB   ASP   2          2HB       ASP   2 -10.886 -20.678  -1.434
   19    H    GLN   3           H        GLN   3 -13.357 -17.924  -0.979
   20    HA   GLN   3           HA       GLN   3 -15.794 -18.464  -1.941
   21   1HB   GLN   3          1HB       GLN   3 -15.856 -18.835   0.905
   22   2HB   GLN   3          2HB       GLN   3 -16.775 -17.386   0.554
   23   1HG   GLN   3          1HG       GLN   3 -18.049 -18.681  -1.215
   24   2HG   GLN   3          2HG       GLN   3 -17.188 -20.128  -0.729
   25   1HE2  GLN   3          2HE2      GLN   3 -19.463 -20.932   1.731
   26   2HE2  GLN   3          1HE2      GLN   3 -18.337 -21.392   0.498
   27    H    LEU   4           H        LEU   4 -16.838 -16.531  -2.660
   28    HA   LEU   4           HA       LEU   4 -15.180 -14.264  -2.702
   29   1HB   LEU   4          1HB       LEU   4 -17.274 -13.224  -3.740
   30   2HB   LEU   4          2HB       LEU   4 -16.469 -14.534  -4.580
   31    HG   LEU   4           HG       LEU   4 -18.560 -15.527  -2.807
   32   1HD1  LEU   4          3HD1      LEU   4 -19.247 -13.084  -3.798
   33   2HD1  LEU   4          1HD1      LEU   4 -19.837 -14.162  -5.085
   34   3HD1  LEU   4          2HD1      LEU   4 -20.396 -14.387  -3.410
   35   1HD2  LEU   4          3HD2      LEU   4 -17.609 -15.893  -5.601
   36   2HD2  LEU   4          1HD2      LEU   4 -17.968 -17.093  -4.337
   37   3HD2  LEU   4          2HD2      LEU   4 -19.296 -16.334  -5.246
   38    H    THR   5           H        THR   5 -16.747 -12.030  -2.304
   39    HA   THR   5           HA       THR   5 -17.357 -10.601  -0.713
   40    HB   THR   5           HB       THR   5 -19.266 -11.248   0.488
   41    HG1  THR   5           HG1      THR   5 -18.035 -13.900   0.681
   42   1HG2  THR   5          1HG2      THR   5 -19.264 -12.367  -1.929
   43   2HG2  THR   5          2HG2      THR   5 -19.053 -13.878  -1.012
   44   3HG2  THR   5          3HG2      THR   5 -20.489 -12.862  -0.737
   45    H    GLU   6           H        GLU   6 -17.708 -11.304   2.203
   46    HA   GLU   6           HA       GLU   6 -15.448 -10.396   3.191
   47   1HB   GLU   6          1HB       GLU   6 -17.425 -12.402   4.268
   48   2HB   GLU   6          2HB       GLU   6 -15.989 -12.063   5.214
   49   1HG   GLU   6          1HG       GLU   6 -16.677  -9.510   4.678
   50   2HG   GLU   6          2HG       GLU   6 -18.266 -10.225   4.490
   51    H    GLU   7           H        GLU   7 -16.083 -13.982   3.010
   52    HA   GLU   7           HA       GLU   7 -13.747 -14.923   3.796
   53   1HB   GLU   7          1HB       GLU   7 -15.533 -15.834   1.519
   54   2HB   GLU   7          2HB       GLU   7 -14.105 -16.751   1.955
   55   1HG   GLU   7          1HG       GLU   7 -15.578 -16.069   4.370
   56   2HG   GLU   7          2HG       GLU   7 -16.673 -16.806   3.217
   57    H    GLN   8           H        GLN   8 -14.412 -13.381   0.626
   58    HA   GLN   8           HA       GLN   8 -12.016 -14.085  -0.575
   59   1HB   GLN   8          1HB       GLN   8 -14.219 -12.979  -1.524
   60   2HB   GLN   8          2HB       GLN   8 -13.417 -11.465  -1.155
   61   1HG   GLN   8          1HG       GLN   8 -12.400 -11.668  -3.181
   62   2HG   GLN   8          2HG       GLN   8 -11.398 -12.898  -2.436
   63   1HE2  GLN   8          2HE2      GLN   8 -13.147 -15.701  -3.775
   64   2HE2  GLN   8          1HE2      GLN   8 -12.269 -15.123  -2.399
   65    H    ILE   9           H        ILE   9 -12.995 -11.055   1.180
   66    HA   ILE   9           HA       ILE   9 -10.670  -9.658   0.941
   67    HB   ILE   9           HB       ILE   9 -13.028  -9.303   2.192
   68   1HG1  ILE   9          1HG1      ILE   9 -11.592  -7.269   3.287
   69   2HG1  ILE   9          2HG1      ILE   9 -10.467  -7.818   2.060
   70   1HG2  ILE   9          1HG2      ILE   9 -12.428 -10.655   4.128
   71   2HG2  ILE   9          2HG2      ILE   9 -10.997  -9.637   4.417
   72   3HG2  ILE   9          3HG2      ILE   9 -12.630  -8.947   4.586
   73   1HD1  ILE   9          3HD1      ILE   9 -13.406  -7.252   1.475
   74   2HD1  ILE   9          1HD1      ILE   9 -12.116  -6.042   1.281
   75   3HD1  ILE   9          2HD1      ILE   9 -12.103  -7.523   0.294
   76    H    ALA  10           H        ALA  10 -11.495 -12.190   3.393
   77    HA   ALA  10           HA       ALA  10  -9.375 -12.095   5.023
   78   1HB   ALA  10          2HB       ALA  10 -11.247 -14.114   4.061
   79   2HB   ALA  10          3HB       ALA  10  -9.666 -14.833   4.454
   80   3HB   ALA  10          1HB       ALA  10 -10.549 -13.898   5.685
   81    H    GLU  11           H        GLU  11  -9.419 -13.273   1.633
   82    HA   GLU  11           HA       GLU  11  -6.787 -14.267   1.761
   83   1HB   GLU  11          1HB       GLU  11  -8.446 -13.470  -0.672
   84   2HB   GLU  11          2HB       GLU  11  -7.003 -14.463  -0.703
   85   1HG   GLU  11          1HG       GLU  11  -8.093 -16.218   0.606
   86   2HG   GLU  11          2HG       GLU  11  -9.486 -15.200   0.910
   87    H    PHE  12           H        PHE  12  -8.309 -11.216   0.553
   88    HA   PHE  12           HA       PHE  12  -6.110 -10.058  -0.587
   89   1HB   PHE  12          1HB       PHE  12  -8.571  -9.138   0.954
   90   2HB   PHE  12          2HB       PHE  12  -7.395  -7.922   0.498
   91    HD1  PHE  12           HD2      PHE  12  -9.582 -10.574  -0.902
   92    HD2  PHE  12           HD1      PHE  12  -7.383  -7.027  -1.670
   93    HE1  PHE  12           HE2      PHE  12 -10.620 -10.424  -3.182
   94    HE2  PHE  12           HE1      PHE  12  -8.420  -6.877  -3.950
   95    HZ   PHE  12           HZ       PHE  12 -10.026  -8.578  -4.679
   96    H    LYS  13           H        LYS  13  -6.890 -10.517   2.853
   97    HA   LYS  13           HA       LYS  13  -5.476  -8.626   4.115
   98   1HB   LYS  13          1HB       LYS  13  -5.781 -11.572   4.692
   99   2HB   LYS  13          2HB       LYS  13  -4.895 -10.521   5.779
  100   1HG   LYS  13          1HG       LYS  13  -7.110  -8.986   5.460
  101   2HG   LYS  13          2HG       LYS  13  -7.832 -10.548   5.131
  102   1HD   LYS  13          1HD       LYS  13  -6.189 -10.959   7.414
  103   2HD   LYS  13          2HD       LYS  13  -6.973  -9.416   7.689
  104   1HE   LYS  13          1HE       LYS  13  -8.372 -12.049   7.018
  105   2HE   LYS  13          2HE       LYS  13  -8.367 -11.253   8.579
  106   1HZ   LYS  13          3HZ       LYS  13  -9.226  -9.347   6.864
  107   2HZ   LYS  13          1HZ       LYS  13  -9.955 -10.699   6.308
  108   3HZ   LYS  13          2HZ       LYS  13 -10.170 -10.234   7.858
  109    H    GLU  14           H        GLU  14  -4.052 -11.704   2.809
  110    HA   GLU  14           HA       GLU  14  -1.471 -11.146   3.486
  111   1HB   GLU  14          1HB       GLU  14  -2.537 -12.660   1.062
  112   2HB   GLU  14          2HB       GLU  14  -0.873 -12.725   1.608
  113   1HG   GLU  14          1HG       GLU  14  -2.105 -13.309   3.963
  114   2HG   GLU  14          2HG       GLU  14  -3.334 -13.902   2.864
  115    H    ALA  15           H        ALA  15  -3.352 -10.160   0.574
  116    HA   ALA  15           HA       ALA  15  -1.327  -9.133  -0.958
  117   1HB   ALA  15          2HB       ALA  15  -3.864  -9.393  -1.403
  118   2HB   ALA  15          3HB       ALA  15  -4.025  -7.789  -0.648
  119   3HB   ALA  15          1HB       ALA  15  -3.040  -7.986  -2.117
  120    H    PHE  16           H        PHE  16  -3.302  -7.408   1.561
  121    HA   PHE  16           HA       PHE  16  -2.071  -4.976   1.393
  122   1HB   PHE  16          1HB       PHE  16  -4.089  -5.676   2.778
  123   2HB   PHE  16          2HB       PHE  16  -3.027  -6.563   3.853
  124    HD1  PHE  16           HD2      PHE  16  -3.181  -3.104   2.429
  125    HD2  PHE  16           HD1      PHE  16  -2.609  -5.534   5.861
  126    HE1  PHE  16           HE2      PHE  16  -2.889  -1.047   3.837
  127    HE2  PHE  16           HE1      PHE  16  -2.316  -3.477   7.268
  128    HZ   PHE  16           HZ       PHE  16  -2.460  -1.258   6.240
  129    H    SER  17           H        SER  17  -0.933  -7.983   2.953
  130    HA   SER  17           HA       SER  17   1.016  -6.833   4.538
  131   1HB   SER  17          1HB       SER  17   1.304  -9.548   3.209
  132   2HB   SER  17          2HB       SER  17   1.886  -9.052   4.785
  133    HG   SER  17           HG       SER  17   0.050 -10.197   5.257
  134    H    LEU  18           H        LEU  18   1.192  -8.254   1.197
  135    HA   LEU  18           HA       LEU  18   3.772  -8.092   0.605
  136   1HB   LEU  18          1HB       LEU  18   1.284  -7.886  -0.848
  137   2HB   LEU  18          2HB       LEU  18   2.519  -6.900  -1.607
  138    HG   LEU  18           HG       LEU  18   3.927  -9.188  -1.210
  139   1HD1  LEU  18          3HD1      LEU  18   1.630 -10.132  -0.345
  140   2HD1  LEU  18          1HD1      LEU  18   1.295 -10.314  -2.084
  141   3HD1  LEU  18          2HD1      LEU  18   2.705 -11.124  -1.359
  142   1HD2  LEU  18          2HD2      LEU  18   3.263  -7.708  -3.320
  143   2HD2  LEU  18          3HD2      LEU  18   3.989  -9.325  -3.479
  144   3HD2  LEU  18          1HD2      LEU  18   2.230  -9.118  -3.658
  145    H    PHE  19           H        PHE  19   1.533  -5.237   0.356
  146    HA   PHE  19           HA       PHE  19   3.637  -3.441  -0.154
  147   1HB   PHE  19          1HB       PHE  19   0.733  -3.325   0.801
  148   2HB   PHE  19          2HB       PHE  19   1.665  -1.844   0.704
  149    HD1  PHE  19           HD2      PHE  19   2.190  -4.555  -1.706
  150    HD2  PHE  19           HD1      PHE  19   0.196  -0.884  -0.961
  151    HE1  PHE  19           HE2      PHE  19   1.631  -4.364  -4.145
  152    HE2  PHE  19           HE1      PHE  19  -0.363  -0.693  -3.400
  153    HZ   PHE  19           HZ       PHE  19   0.361  -2.435  -4.963
  154    H    ASP  20           H        ASP  20   1.802  -4.341   2.834
  155    HA   ASP  20           HA       ASP  20   3.160  -2.453   4.408
  156   1HB   ASP  20          1HB       ASP  20   1.076  -3.149   5.274
  157   2HB   ASP  20          2HB       ASP  20   1.373  -4.837   4.911
  158    H    LYS  21           H        LYS  21   5.460  -2.888   3.998
  159    HA   LYS  21           HA       LYS  21   6.432  -5.534   4.688
  160   1HB   LYS  21          1HB       LYS  21   7.199  -3.562   2.840
  161   2HB   LYS  21          2HB       LYS  21   8.467  -3.563   4.048
  162   1HG   LYS  21          1HG       LYS  21   7.403  -6.100   2.722
  163   2HG   LYS  21          2HG       LYS  21   8.805  -5.221   2.142
  164   1HD   LYS  21          1HD       LYS  21  10.105  -6.309   3.644
  165   2HD   LYS  21          2HD       LYS  21   9.195  -5.583   4.955
  166   1HE   LYS  21          1HE       LYS  21   8.493  -7.681   5.481
  167   2HE   LYS  21          2HE       LYS  21   7.479  -7.608   4.054
  168   1HZ   LYS  21          1HZ       LYS  21   9.400  -8.459   2.798
  169   2HZ   LYS  21          2HZ       LYS  21  10.216  -8.662   4.198
  170   3HZ   LYS  21          3HZ       LYS  21   8.848  -9.510   3.920
  171    H    ASP  22           H        ASP  22   5.178  -3.503   6.641
  172    HA   ASP  22           HA       ASP  22   7.507  -3.320   8.386
  173   1HB   ASP  22          1HB       ASP  22   6.670  -1.105   8.011
  174   2HB   ASP  22          2HB       ASP  22   5.000  -1.626   8.117
  175    H    GLY  23           H        GLY  23   4.557  -4.915   7.702
  176   1HA   GLY  23          1HA       GLY  23   3.101  -6.171   8.888
  177   2HA   GLY  23          2HA       GLY  23   4.537  -6.684   9.751
  178    H    ASP  24           H        ASP  24   2.037  -4.065   9.658
  179    HA   ASP  24           HA       ASP  24   2.136  -4.098  12.556
  180   1HB   ASP  24          1HB       ASP  24   1.894  -1.594  12.562
  181   2HB   ASP  24          2HB       ASP  24   3.443  -2.138  11.947
  182    H    GLY  25           H        GLY  25   0.545  -3.017   9.486
  183   1HA   GLY  25          1HA       GLY  25  -1.817  -4.015   9.451
  184   2HA   GLY  25          2HA       GLY  25  -2.067  -2.989  10.851
  185    H    THR  26           H        THR  26   0.160  -1.214   9.252
  186    HA   THR  26           HA       THR  26  -1.848   0.085   7.529
  187    HB   THR  26           HB       THR  26  -1.147   2.200   8.389
  188    HG1  THR  26           HG1      THR  26   0.939   2.348   9.398
  189   1HG2  THR  26          1HG2      THR  26  -0.804   0.230  10.712
  190   2HG2  THR  26          2HG2      THR  26  -1.020   1.989  10.886
  191   3HG2  THR  26          3HG2      THR  26  -2.335   0.993  10.219
  192    H    ILE  27           H        ILE  27  -0.732   1.619   5.894
  193    HA   ILE  27           HA       ILE  27   1.784   0.430   4.998
  194    HB   ILE  27           HB       ILE  27  -0.734   0.723   3.363
  195   1HG1  ILE  27          1HG1      ILE  27   0.992  -1.679   4.036
  196   2HG1  ILE  27          2HG1      ILE  27  -0.587  -1.324   4.708
  197   1HG2  ILE  27          1HG2      ILE  27   1.418   1.547   2.242
  198   2HG2  ILE  27          2HG2      ILE  27   1.937  -0.156   2.273
  199   3HG2  ILE  27          3HG2      ILE  27   0.461   0.309   1.393
  200   1HD1  ILE  27          2HD1      ILE  27   0.007  -1.798   1.750
  201   2HD1  ILE  27          3HD1      ILE  27  -0.767  -2.957   2.857
  202   3HD1  ILE  27          1HD1      ILE  27  -1.597  -1.441   2.433
  203    H    THR  28           H        THR  28   3.178   2.109   5.162
  204    HA   THR  28           HA       THR  28   2.219   4.806   4.790
  205    HB   THR  28           HB       THR  28   3.832   4.245   6.586
  206    HG1  THR  28           HG1      THR  28   4.043   6.324   5.530
  207   1HG2  THR  28          1HG2      THR  28   5.081   2.660   4.535
  208   2HG2  THR  28          2HG2      THR  28   6.212   3.970   4.948
  209   3HG2  THR  28          3HG2      THR  28   5.619   2.872   6.218
  210    H    THR  29           H        THR  29   4.876   5.659   3.649
  211    HA   THR  29           HA       THR  29   4.079   5.276   0.871
  212    HB   THR  29           HB       THR  29   5.995   7.125   0.723
  213    HG1  THR  29           HG1      THR  29   5.072   7.552   3.421
  214   1HG2  THR  29          3HG2      THR  29   3.331   7.589   2.164
  215   2HG2  THR  29          1HG2      THR  29   4.385   8.895   1.571
  216   3HG2  THR  29          2HG2      THR  29   3.633   7.766   0.418
  217    H    LYS  30           H        LYS  30   7.054   4.994   2.923
  218    HA   LYS  30           HA       LYS  30   8.653   3.935   0.924
  219   1HB   LYS  30          1HB       LYS  30   9.179   4.811   3.335
  220   2HB   LYS  30          2HB       LYS  30   8.947   3.141   3.810
  221   1HG   LYS  30          1HG       LYS  30  10.648   2.416   2.132
  222   2HG   LYS  30          2HG       LYS  30  10.868   4.080   1.627
  223   1HD   LYS  30          1HD       LYS  30  12.247   4.534   3.381
  224   2HD   LYS  30          2HD       LYS  30  11.135   3.831   4.538
  225   1HE   LYS  30          1HE       LYS  30  12.190   1.778   4.520
  226   2HE   LYS  30          2HE       LYS  30  12.531   1.847   2.803
  227   1HZ   LYS  30          3HZ       LYS  30  14.148   3.694   3.530
  228   2HZ   LYS  30          1HZ       LYS  30  14.049   2.992   5.001
  229   3HZ   LYS  30          2HZ       LYS  30  14.578   2.130   3.719
  230    H    GLU  31           H        GLU  31   6.122   2.474   2.944
  231    HA   GLU  31           HA       GLU  31   6.916  -0.170   2.236
  232   1HB   GLU  31          1HB       GLU  31   4.434   0.922   3.630
  233   2HB   GLU  31          2HB       GLU  31   4.747  -0.787   3.402
  234   1HG   GLU  31          1HG       GLU  31   6.805  -0.655   4.728
  235   2HG   GLU  31          2HG       GLU  31   6.694   1.092   4.815
  236    H    LEU  32           H        LEU  32   5.114   2.391   0.772
  237    HA   LEU  32           HA       LEU  32   3.490   0.570  -0.805
  238   1HB   LEU  32          1HB       LEU  32   2.720   2.786   0.254
  239   2HB   LEU  32          2HB       LEU  32   3.599   3.565  -1.047
  240    HG   LEU  32           HG       LEU  32   2.074   1.740  -2.427
  241   1HD1  LEU  32          2HD1      LEU  32   0.923   1.820   0.137
  242   2HD1  LEU  32          3HD1      LEU  32  -0.137   2.797  -0.907
  243   3HD1  LEU  32          1HD1      LEU  32   0.241   1.114  -1.347
  244   1HD2  LEU  32          2HD2      LEU  32   2.171   4.609  -2.012
  245   2HD2  LEU  32          3HD2      LEU  32   1.828   3.676  -3.489
  246   3HD2  LEU  32          1HD2      LEU  32   0.514   4.054  -2.351
  247    H    GLY  33           H        GLY  33   6.431   2.546  -0.956
  248   1HA   GLY  33          1HA       GLY  33   6.636   2.188  -3.850
  249   2HA   GLY  33          2HA       GLY  33   7.675   3.150  -2.817
  250    H    THR  34           H        THR  34   7.157   0.248  -1.182
  251    HA   THR  34           HA       THR  34   9.795  -0.690  -1.914
  252    HB   THR  34           HB       THR  34   7.836  -0.971   0.317
  253    HG1  THR  34           HG1      THR  34   9.833  -0.615   1.343
  254   1HG2  THR  34          2HG2      THR  34   9.561  -3.281  -0.671
  255   2HG2  THR  34          3HG2      THR  34   9.245  -3.055   1.066
  256   3HG2  THR  34          1HG2      THR  34   7.892  -3.336  -0.056
  257    H    VAL  35           H        VAL  35   6.383  -1.590  -2.412
  258    HA   VAL  35           HA       VAL  35   7.147  -4.132  -3.542
  259    HB   VAL  35           HB       VAL  35   4.622  -2.676  -2.903
  260   1HG1  VAL  35          3HG1      VAL  35   4.967  -4.600  -5.150
  261   2HG1  VAL  35          1HG1      VAL  35   3.565  -4.851  -4.083
  262   3HG1  VAL  35          2HG1      VAL  35   3.776  -3.296  -4.924
  263   1HG2  VAL  35          2HG2      VAL  35   5.910  -5.307  -2.230
  264   2HG2  VAL  35          3HG2      VAL  35   5.239  -4.059  -1.153
  265   3HG2  VAL  35          1HG2      VAL  35   4.146  -5.121  -2.073
  266    H    MET  36           H        MET  36   6.605  -0.807  -4.554
  267    HA   MET  36           HA       MET  36   6.009  -1.429  -7.235
  268   1HB   MET  36          1HB       MET  36   7.134   1.102  -5.910
  269   2HB   MET  36          2HB       MET  36   6.524   1.046  -7.552
  270   1HG   MET  36          1HG       MET  36   4.552  -0.117  -5.746
  271   2HG   MET  36          2HG       MET  36   5.026   1.462  -5.152
  272   1HE   MET  36          3HE       MET  36   2.130   1.058  -5.941
  273   2HE   MET  36          1HE       MET  36   1.676   1.238  -7.653
  274   3HE   MET  36          2HE       MET  36   2.507  -0.237  -7.103
  275    H    ARG  37           H        ARG  37   9.001  -0.848  -5.363
  276    HA   ARG  37           HA       ARG  37  10.557  -0.747  -7.755
  277   1HB   ARG  37          1HB       ARG  37  12.490  -0.553  -6.162
  278   2HB   ARG  37          2HB       ARG  37  11.241   0.631  -5.834
  279   1HG   ARG  37          1HG       ARG  37  11.312  -0.126  -3.685
  280   2HG   ARG  37          2HG       ARG  37  10.401  -1.503  -4.271
  281   1HD   ARG  37          1HD       ARG  37  13.246  -1.873  -4.840
  282   2HD   ARG  37          2HD       ARG  37  13.014  -1.524  -3.138
  283    HE   ARG  37           HE       ARG  37  11.091  -3.484  -4.116
  284   1HH1  ARG  37          1HH2      ARG  37  14.536  -4.717  -2.416
  285   2HH1  ARG  37          2HH2      ARG  37  14.388  -3.078  -2.956
  286   1HH2  ARG  37          2HH1      ARG  37  11.285  -5.646  -3.404
  287   2HH2  ARG  37          1HH1      ARG  37  12.759  -6.188  -2.673
  288    H    SER  38           H        SER  38   8.908  -3.210  -6.633
  289    HA   SER  38           HA       SER  38  11.150  -5.074  -6.737
  290   1HB   SER  38          1HB       SER  38   9.296  -4.816  -4.709
  291   2HB   SER  38          2HB       SER  38   8.547  -6.062  -5.687
  292    HG   SER  38           HG       SER  38   9.868  -7.289  -4.468
  293    H    LEU  39           H        LEU  39   7.847  -4.232  -7.847
  294    HA   LEU  39           HA       LEU  39   7.639  -6.558  -9.509
  295   1HB   LEU  39          1HB       LEU  39   5.820  -5.036  -8.325
  296   2HB   LEU  39          2HB       LEU  39   5.906  -4.154  -9.837
  297    HG   LEU  39           HG       LEU  39   5.616  -7.085 -10.122
  298   1HD1  LEU  39          2HD1      LEU  39   3.392  -5.413  -8.924
  299   2HD1  LEU  39          3HD1      LEU  39   3.191  -7.039  -9.620
  300   3HD1  LEU  39          1HD1      LEU  39   4.210  -6.807  -8.180
  301   1HD2  LEU  39          2HD2      LEU  39   4.728  -4.593 -11.482
  302   2HD2  LEU  39          3HD2      LEU  39   5.392  -6.102 -12.154
  303   3HD2  LEU  39          1HD2      LEU  39   3.689  -6.029 -11.642
  304    H    GLY  40           H        GLY  40   7.367  -3.071 -10.457
  305   1HA   GLY  40          1HA       GLY  40   9.590  -3.157 -12.226
  306   2HA   GLY  40          2HA       GLY  40   8.096  -3.438 -13.099
  307    H    GLN  41           H        GLN  41   8.244  -1.468 -10.117
  308    HA   GLN  41           HA       GLN  41   7.931   0.893 -11.796
  309   1HB   GLN  41          1HB       GLN  41   6.244  -0.012  -9.446
  310   2HB   GLN  41          2HB       GLN  41   6.360   1.690  -9.846
  311   1HG   GLN  41          1HG       GLN  41   4.757   1.376 -11.417
  312   2HG   GLN  41          2HG       GLN  41   5.899   0.409 -12.330
  313   1HE2  GLN  41          2HE2      GLN  41   2.638  -1.237 -10.650
  314   2HE2  GLN  41          1HE2      GLN  41   2.953   0.460 -10.807
  315    H    ASN  42           H        ASN  42   7.929   2.912  -9.956
  316    HA   ASN  42           HA       ASN  42   9.556   2.609  -7.774
  317   1HB   ASN  42          1HB       ASN  42  11.195   2.150  -9.840
  318   2HB   ASN  42          2HB       ASN  42  11.174   3.895 -10.000
  319   1HD2  ASN  42          2HD2      ASN  42  13.959   3.837  -7.874
  320   2HD2  ASN  42          1HD2      ASN  42  13.360   4.000  -9.491
  321    HA   PRO  43           HA       PRO  43   7.565   6.646  -8.785
  322   1HB   PRO  43          1HB       PRO  43   5.544   6.595  -6.946
  323   2HB   PRO  43          2HB       PRO  43   5.336   6.095  -8.613
  324   1HG   PRO  43          1HG       PRO  43   5.548   4.418  -6.188
  325   2HG   PRO  43          2HG       PRO  43   4.927   3.988  -7.769
  326   1HD   PRO  43          1HD       PRO  43   7.482   3.276  -6.676
  327   2HD   PRO  43          2HD       PRO  43   6.907   2.945  -8.298
  328    H    THR  44           H        THR  44   8.104   8.608  -7.936
  329    HA   THR  44           HA       THR  44   9.967   8.564  -5.860
  330    HB   THR  44           HB       THR  44   9.854  10.994  -6.104
  331    HG1  THR  44           HG1      THR  44   7.278  10.228  -7.281
  332   1HG2  THR  44          2HG2      THR  44  10.186   9.350  -8.326
  333   2HG2  THR  44          3HG2      THR  44   8.853  10.410  -8.844
  334   3HG2  THR  44          1HG2      THR  44  10.406  11.117  -8.338
  335    H    GLU  45           H        GLU  45   9.592  10.238  -3.899
  336    HA   GLU  45           HA       GLU  45   7.760   8.846  -2.269
  337   1HB   GLU  45          1HB       GLU  45   9.573   9.527  -1.013
  338   2HB   GLU  45          2HB       GLU  45   9.796  11.006  -1.926
  339   1HG   GLU  45          1HG       GLU  45   8.046  12.142  -0.747
  340   2HG   GLU  45          2HG       GLU  45   7.370  10.647  -0.130
  341    H    ALA  46           H        ALA  46   7.574  11.621  -4.359
  342    HA   ALA  46           HA       ALA  46   5.463  12.931  -2.940
  343   1HB   ALA  46          1HB       ALA  46   6.875  13.232  -5.586
  344   2HB   ALA  46          2HB       ALA  46   5.338  14.085  -5.310
  345   3HB   ALA  46          3HB       ALA  46   6.729  14.390  -4.242
  346    H    GLU  47           H        GLU  47   5.764  10.760  -5.820
  347    HA   GLU  47           HA       GLU  47   3.119  10.821  -6.539
  348   1HB   GLU  47          1HB       GLU  47   4.945   9.843  -7.910
  349   2HB   GLU  47          2HB       GLU  47   5.109   8.520  -6.773
  350   1HG   GLU  47          1HG       GLU  47   3.720   7.579  -8.424
  351   2HG   GLU  47          2HG       GLU  47   2.558   8.094  -7.218
  352    H    LEU  48           H        LEU  48   4.836   8.366  -4.469
  353    HA   LEU  48           HA       LEU  48   2.712   6.798  -3.831
  354   1HB   LEU  48          1HB       LEU  48   5.032   7.644  -2.092
  355   2HB   LEU  48          2HB       LEU  48   3.945   6.319  -1.724
  356    HG   LEU  48           HG       LEU  48   5.350   6.297  -4.367
  357   1HD1  LEU  48          1HD1      LEU  48   6.680   5.667  -1.720
  358   2HD1  LEU  48          2HD1      LEU  48   7.295   5.146  -3.307
  359   3HD1  LEU  48          3HD1      LEU  48   7.173   6.880  -2.925
  360   1HD2  LEU  48          3HD2      LEU  48   3.588   4.608  -3.458
  361   2HD2  LEU  48          1HD2      LEU  48   5.041   4.008  -4.293
  362   3HD2  LEU  48          2HD2      LEU  48   4.955   3.966  -2.515
  363    H    GLN  49           H        GLN  49   3.853   9.648  -1.877
  364    HA   GLN  49           HA       GLN  49   2.022   9.725   0.007
  365   1HB   GLN  49          1HB       GLN  49   3.877  11.433  -0.592
  366   2HB   GLN  49          2HB       GLN  49   2.669  12.247  -1.565
  367   1HG   GLN  49          1HG       GLN  49   2.310  13.371   0.425
  368   2HG   GLN  49          2HG       GLN  49   1.213  12.031   0.690
  369   1HE2  GLN  49          2HE2      GLN  49   2.735  11.233   3.683
  370   2HE2  GLN  49          1HE2      GLN  49   1.309  11.527   2.745
  371    H    ASP  50           H        ASP  50   1.482  10.658  -3.424
  372    HA   ASP  50           HA       ASP  50  -1.095  11.657  -2.970
  373   1HB   ASP  50          1HB       ASP  50   0.726  11.405  -5.145
  374   2HB   ASP  50          2HB       ASP  50  -0.712  10.540  -5.649
  375    H    MET  51           H        MET  51   0.248   8.549  -4.312
  376    HA   MET  51           HA       MET  51  -2.098   7.300  -4.869
  377   1HB   MET  51          1HB       MET  51   0.493   6.124  -3.713
  378   2HB   MET  51          2HB       MET  51  -0.742   5.176  -4.517
  379   1HG   MET  51          1HG       MET  51  -0.333   6.215  -6.639
  380   2HG   MET  51          2HG       MET  51   0.523   7.562  -5.916
  381   1HE   MET  51          1HE       MET  51   1.607   6.502  -8.206
  382   2HE   MET  51          2HE       MET  51   3.074   5.501  -8.082
  383   3HE   MET  51          3HE       MET  51   1.474   4.727  -8.190
  384    H    ILE  52           H        ILE  52  -0.504   7.801  -1.716
  385    HA   ILE  52           HA       ILE  52  -2.087   5.904  -0.324
  386    HB   ILE  52           HB       ILE  52  -0.362   8.218   0.547
  387   1HG1  ILE  52          1HG1      ILE  52   0.051   5.305   0.080
  388   2HG1  ILE  52          2HG1      ILE  52   1.127   6.658  -0.211
  389   1HG2  ILE  52          2HG2      ILE  52  -2.416   7.210   2.060
  390   2HG2  ILE  52          3HG2      ILE  52  -1.039   6.206   2.574
  391   3HG2  ILE  52          1HG2      ILE  52  -0.942   7.980   2.693
  392   1HD1  ILE  52          2HD1      ILE  52   1.047   6.849   2.470
  393   2HD1  ILE  52          3HD1      ILE  52   0.645   5.121   2.327
  394   3HD1  ILE  52          1HD1      ILE  52   2.169   5.739   1.647
  395    H    ASN  53           H        ASN  53  -2.199   9.511  -0.693
  396    HA   ASN  53           HA       ASN  53  -4.596   9.661   0.787
  397   1HB   ASN  53          1HB       ASN  53  -4.543  12.033   0.222
  398   2HB   ASN  53          2HB       ASN  53  -2.888  11.538   0.517
  399   1HD2  ASN  53          2HD2      ASN  53  -2.095  13.208  -2.447
  400   2HD2  ASN  53          1HD2      ASN  53  -2.041  13.180  -0.716
  401    H    GLU  54           H        GLU  54  -3.936   8.340  -2.195
  402    HA   GLU  54           HA       GLU  54  -6.099   9.529  -3.644
  403   1HB   GLU  54          1HB       GLU  54  -3.998   7.438  -4.229
  404   2HB   GLU  54          2HB       GLU  54  -5.405   7.541  -5.268
  405   1HG   GLU  54          1HG       GLU  54  -4.407  10.223  -4.793
  406   2HG   GLU  54          2HG       GLU  54  -3.069   9.208  -5.293
  407    H    VAL  55           H        VAL  55  -5.611   6.938  -1.387
  408    HA   VAL  55           HA       VAL  55  -8.209   5.804  -2.166
  409    HB   VAL  55           HB       VAL  55  -7.140   3.809  -0.773
  410   1HG1  VAL  55          1HG1      VAL  55  -7.985   3.922  -3.193
  411   2HG1  VAL  55          2HG1      VAL  55  -6.286   4.191  -3.649
  412   3HG1  VAL  55          3HG1      VAL  55  -6.756   2.691  -2.814
  413   1HG2  VAL  55          1HG2      VAL  55  -5.016   5.330  -0.537
  414   2HG2  VAL  55          2HG2      VAL  55  -4.836   3.588  -0.855
  415   3HG2  VAL  55          3HG2      VAL  55  -4.661   4.758  -2.185
  416    H    ASP  56           H        ASP  56  -5.949   6.686   0.505
  417    HA   ASP  56           HA       ASP  56  -7.745   6.109   2.539
  418   1HB   ASP  56          1HB       ASP  56  -5.365   6.411   2.986
  419   2HB   ASP  56          2HB       ASP  56  -5.396   8.044   2.349
  420    H    ALA  57           H        ALA  57  -9.606   7.238   3.139
  421    HA   ALA  57           HA       ALA  57  -9.895   9.961   2.080
  422   1HB   ALA  57          1HB       ALA  57 -11.578   7.632   2.069
  423   2HB   ALA  57          2HB       ALA  57 -12.362   8.890   3.055
  424   3HB   ALA  57          3HB       ALA  57 -11.898   9.238   1.372
  425    H    ASP  58           H        ASP  58  -9.078   8.218   4.857
  426    HA   ASP  58           HA       ASP  58 -10.554   9.797   6.700
  427   1HB   ASP  58          1HB       ASP  58  -9.893   8.181   8.151
  428   2HB   ASP  58          2HB       ASP  58  -9.153   7.375   6.782
  429    H    GLY  59           H        GLY  59  -7.278   9.679   5.229
  430   1HA   GLY  59          1HA       GLY  59  -5.752  11.346   5.008
  431   2HA   GLY  59          2HA       GLY  59  -6.771  12.418   5.947
  432    H    ASN  60           H        ASN  60  -5.821   9.163   7.087
  433    HA   ASN  60           HA       ASN  60  -4.832  10.269   9.468
  434   1HB   ASN  60          1HB       ASN  60  -4.250   7.903  10.024
  435   2HB   ASN  60          2HB       ASN  60  -5.874   8.013   9.374
  436   1HD2  ASN  60          2HD2      ASN  60  -4.061   5.163   7.788
  437   2HD2  ASN  60          1HD2      ASN  60  -4.445   5.662   9.402
  438    H    GLY  61           H        GLY  61  -3.511   9.477   6.311
  439   1HA   GLY  61          1HA       GLY  61  -1.407  10.389   5.682
  440   2HA   GLY  61          2HA       GLY  61  -0.795  10.076   7.294
  441    H    THR  62           H        THR  62  -2.213   7.360   7.365
  442    HA   THR  62           HA       THR  62  -0.281   5.959   5.638
  443    HB   THR  62           HB       THR  62  -0.576   4.146   7.456
  444    HG1  THR  62           HG1      THR  62  -1.465   5.252   9.466
  445   1HG2  THR  62          1HG2      THR  62   1.371   5.800   7.493
  446   2HG2  THR  62          2HG2      THR  62   0.368   6.861   8.511
  447   3HG2  THR  62          3HG2      THR  62   0.855   5.257   9.108
  448    H    ILE  63           H        ILE  63  -1.132   3.504   5.386
  449    HA   ILE  63           HA       ILE  63  -3.901   3.771   4.441
  450    HB   ILE  63           HB       ILE  63  -1.529   2.443   3.139
  451   1HG1  ILE  63          1HG1      ILE  63  -2.530   5.023   2.922
  452   2HG1  ILE  63          2HG1      ILE  63  -1.444   4.222   1.803
  453   1HG2  ILE  63          1HG2      ILE  63  -4.475   2.139   2.528
  454   2HG2  ILE  63          2HG2      ILE  63  -3.182   1.759   1.365
  455   3HG2  ILE  63          3HG2      ILE  63  -3.288   0.865   2.901
  456   1HD1  ILE  63          3HD1      ILE  63  -4.476   3.958   1.626
  457   2HD1  ILE  63          1HD1      ILE  63  -3.551   5.202   0.752
  458   3HD1  ILE  63          2HD1      ILE  63  -3.274   3.478   0.404
  459    H    ASP  64           H        ASP  64  -5.321   2.112   4.943
  460    HA   ASP  64           HA       ASP  64  -4.223   0.193   6.818
  461   1HB   ASP  64          1HB       ASP  64  -7.123   0.925   6.193
  462   2HB   ASP  64          2HB       ASP  64  -6.612  -0.170   7.462
  463    H    PHE  65           H        PHE  65  -6.216  -1.825   6.645
  464    HA   PHE  65           HA       PHE  65  -5.436  -3.113   4.218
  465   1HB   PHE  65          1HB       PHE  65  -5.639  -4.433   6.249
  466   2HB   PHE  65          2HB       PHE  65  -7.168  -3.689   6.671
  467    HD1  PHE  65           HD2      PHE  65  -5.833  -5.561   3.717
  468    HD2  PHE  65           HD1      PHE  65  -8.952  -5.127   6.562
  469    HE1  PHE  65           HE2      PHE  65  -7.059  -7.484   2.667
  470    HE2  PHE  65           HE1      PHE  65 -10.178  -7.049   5.511
  471    HZ   PHE  65           HZ       PHE  65  -9.217  -8.204   3.576
  472    HA   PRO  66           HA       PRO  66 -10.071  -2.472   3.410
  473   1HB   PRO  66          1HB       PRO  66 -11.437  -0.610   4.871
  474   2HB   PRO  66          2HB       PRO  66 -11.449  -2.322   5.248
  475   1HG   PRO  66          1HG       PRO  66 -10.012  -0.132   6.619
  476   2HG   PRO  66          2HG       PRO  66 -10.381  -1.740   7.208
  477   1HD   PRO  66          1HD       PRO  66  -7.845  -0.803   6.251
  478   2HD   PRO  66          2HD       PRO  66  -8.244  -2.441   6.731
  479    H    GLU  67           H        GLU  67  -8.051   0.197   4.205
  480    HA   GLU  67           HA       GLU  67  -9.330   1.869   2.278
  481   1HB   GLU  67          1HB       GLU  67  -6.645   2.323   3.640
  482   2HB   GLU  67          2HB       GLU  67  -7.690   3.534   2.924
  483   1HG   GLU  67          1HG       GLU  67  -9.359   3.268   4.647
  484   2HG   GLU  67          2HG       GLU  67  -8.638   1.779   5.224
  485    H    PHE  68           H        PHE  68  -6.839  -0.573   2.334
  486    HA   PHE  68           HA       PHE  68  -5.609   0.425  -0.097
  487   1HB   PHE  68          1HB       PHE  68  -3.989  -0.534   1.338
  488   2HB   PHE  68          2HB       PHE  68  -5.147  -1.632   2.062
  489    HD1  PHE  68           HD2      PHE  68  -5.829  -3.697   0.774
  490    HD2  PHE  68           HD1      PHE  68  -2.576  -1.245  -0.413
  491    HE1  PHE  68           HE2      PHE  68  -4.928  -5.572  -0.630
  492    HE2  PHE  68           HE1      PHE  68  -1.675  -3.120  -1.817
  493    HZ   PHE  68           HZ       PHE  68  -2.862  -5.261  -1.909
  494    H    LEU  69           H        LEU  69  -7.815  -2.138   1.071
  495    HA   LEU  69           HA       LEU  69  -7.765  -3.929  -0.944
  496   1HB   LEU  69          1HB       LEU  69 -10.002  -2.824   0.722
  497   2HB   LEU  69          2HB       LEU  69 -10.327  -4.025  -0.512
  498    HG   LEU  69           HG       LEU  69  -8.146  -4.624   1.436
  499   1HD1  LEU  69          3HD1      LEU  69 -10.834  -3.943   2.272
  500   2HD1  LEU  69          1HD1      LEU  69 -10.451  -5.639   2.652
  501   3HD1  LEU  69          2HD1      LEU  69  -9.397  -4.334   3.248
  502   1HD2  LEU  69          1HD2      LEU  69  -8.700  -6.151  -0.422
  503   2HD2  LEU  69          2HD2      LEU  69  -8.939  -6.897   1.176
  504   3HD2  LEU  69          3HD2      LEU  69 -10.343  -6.333   0.239
  505    H    THR  70           H        THR  70  -9.364  -0.695  -0.956
  506    HA   THR  70           HA       THR  70 -10.670  -0.907  -3.382
  507    HB   THR  70           HB       THR  70 -11.163   0.984  -2.035
  508    HG1  THR  70           HG1      THR  70  -9.101   1.949  -3.876
  509   1HG2  THR  70          3HG2      THR  70  -8.333   0.852  -1.369
  510   2HG2  THR  70          1HG2      THR  70  -8.725   2.490  -1.944
  511   3HG2  THR  70          2HG2      THR  70  -9.612   1.793  -0.567
  512    H    MET  71           H        MET  71  -7.251   0.049  -2.722
  513    HA   MET  71           HA       MET  71  -6.562   0.797  -5.225
  514   1HB   MET  71          1HB       MET  71  -5.274   0.105  -2.780
  515   2HB   MET  71          2HB       MET  71  -4.502  -0.912  -3.980
  516   1HG   MET  71          1HG       MET  71  -4.782   1.734  -5.112
  517   2HG   MET  71          2HG       MET  71  -4.096   1.904  -3.508
  518   1HE   MET  71          3HE       MET  71  -3.536   1.749  -6.863
  519   2HE   MET  71          1HE       MET  71  -1.956   0.998  -7.188
  520   3HE   MET  71          2HE       MET  71  -3.421  -0.010  -7.106
  521    H    MET  72           H        MET  72  -6.727  -2.551  -3.877
  522    HA   MET  72           HA       MET  72  -5.645  -3.781  -6.124
  523   1HB   MET  72          1HB       MET  72  -7.659  -4.846  -4.066
  524   2HB   MET  72          2HB       MET  72  -6.671  -5.848  -5.110
  525   1HG   MET  72          1HG       MET  72  -4.917  -3.992  -3.759
  526   2HG   MET  72          2HG       MET  72  -5.972  -4.702  -2.554
  527   1HE   MET  72          2HE       MET  72  -3.497  -4.874  -5.106
  528   2HE   MET  72          3HE       MET  72  -2.361  -5.703  -4.015
  529   3HE   MET  72          1HE       MET  72  -3.057  -6.573  -5.403
  530    H    ALA  73           H        ALA  73  -9.027  -2.968  -5.175
  531    HA   ALA  73           HA       ALA  73 -10.262  -4.353  -7.280
  532   1HB   ALA  73          3HB       ALA  73 -10.981  -2.239  -5.286
  533   2HB   ALA  73          1HB       ALA  73 -12.044  -2.425  -6.702
  534   3HB   ALA  73          2HB       ALA  73 -11.755  -3.807  -5.619
  535    H    ARG  74           H        ARG  74  -9.137  -0.932  -6.900
  536    HA   ARG  74           HA       ARG  74  -9.617  -0.638  -9.751
  537   1HB   ARG  74          1HB       ARG  74  -9.329   1.881  -9.179
  538   2HB   ARG  74          2HB       ARG  74 -10.787   1.099  -8.602
  539   1HG   ARG  74          1HG       ARG  74 -10.079   1.093  -6.369
  540   2HG   ARG  74          2HG       ARG  74  -8.379   1.052  -6.791
  541   1HD   ARG  74          1HD       ARG  74 -10.134   3.487  -7.342
  542   2HD   ARG  74          2HD       ARG  74  -9.268   3.279  -5.833
  543    HE   ARG  74           HE       ARG  74  -7.506   2.912  -8.114
  544   1HH1  ARG  74          2HH2      ARG  74  -9.071   5.366  -6.135
  545   2HH1  ARG  74          1HH2      ARG  74  -7.885   6.581  -6.478
  546   1HH2  ARG  74          2HH1      ARG  74  -5.941   4.515  -8.565
  547   2HH2  ARG  74          1HH1      ARG  74  -6.093   6.093  -7.869
  548    H    LYS  75           H        LYS  75  -7.457  -2.086  -9.613
  549    HA   LYS  75           HA       LYS  75  -5.075  -0.788  -8.867
  550   1HB   LYS  75          1HB       LYS  75  -4.265  -2.838  -9.157
  551   2HB   LYS  75          2HB       LYS  75  -5.865  -3.354  -9.652
  552   1HG   LYS  75          1HG       LYS  75  -5.249  -2.531 -12.025
  553   2HG   LYS  75          2HG       LYS  75  -3.603  -2.376 -11.446
  554   1HD   LYS  75          1HD       LYS  75  -3.264  -4.655 -11.372
  555   2HD   LYS  75          2HD       LYS  75  -4.889  -4.987 -10.806
  556   1HE   LYS  75          1HE       LYS  75  -4.185  -4.204 -13.676
  557   2HE   LYS  75          2HE       LYS  75  -4.456  -5.849 -13.135
  558   1HZ   LYS  75          3HZ       LYS  75  -6.610  -4.429 -12.252
  559   2HZ   LYS  75          1HZ       LYS  75  -6.350  -3.873 -13.766
  560   3HZ   LYS  75          2HZ       LYS  75  -6.578  -5.470 -13.510
   
  No H/Q in entry =         560
  Start of MODEL   13
    1    H    MET   0           H        MET   0 -28.736 -24.241   1.210
    2    HA   MET   0           HA       MET   0 -26.857 -23.269   1.710
    3   1HB   MET   0          1HB       MET   0 -26.590 -24.076  -1.112
    4   2HB   MET   0          2HB       MET   0 -25.587 -22.678  -0.778
    5   1HG   MET   0          1HG       MET   0 -25.528 -24.942   1.215
    6   2HG   MET   0          2HG       MET   0 -24.720 -25.192  -0.320
    7   1HE   MET   0          2HE       MET   0 -25.069 -23.748   2.857
    8   2HE   MET   0          3HE       MET   0 -23.383 -23.395   3.305
    9   3HE   MET   0          1HE       MET   0 -24.446 -22.085   2.739
   10    H    ALA   1           H        ALA   1 -25.278 -21.226   0.943
   11    HA   ALA   1           HA       ALA   1 -27.187 -19.023   0.597
   12   1HB   ALA   1          2HB       ALA   1 -24.480 -19.200   1.976
   13   2HB   ALA   1          3HB       ALA   1 -25.389 -17.687   1.747
   14   3HB   ALA   1          1HB       ALA   1 -26.071 -18.991   2.747
   15    H    ASP   2           H        ASP   2 -25.807 -16.961  -0.285
   16    HA   ASP   2           HA       ASP   2 -24.141 -17.912  -2.459
   17   1HB   ASP   2          1HB       ASP   2 -26.745 -17.305  -2.950
   18   2HB   ASP   2          2HB       ASP   2 -26.080 -15.686  -3.039
   19    H    GLN   3           H        GLN   3 -23.406 -15.608  -3.689
   20    HA   GLN   3           HA       GLN   3 -22.242 -13.782  -3.545
   21   1HB   GLN   3          1HB       GLN   3 -24.514 -13.071  -2.330
   22   2HB   GLN   3          2HB       GLN   3 -23.477 -12.944  -0.923
   23   1HG   GLN   3          1HG       GLN   3 -21.925 -11.628  -2.756
   24   2HG   GLN   3          2HG       GLN   3 -23.512 -11.283  -3.413
   25   1HE2  GLN   3          2HE2      GLN   3 -22.515  -8.633  -0.971
   26   2HE2  GLN   3          1HE2      GLN   3 -21.830  -9.335  -2.398
   27    H    LEU   4           H        LEU   4 -20.098 -13.606  -3.021
   28    HA   LEU   4           HA       LEU   4 -19.002 -15.254  -1.039
   29   1HB   LEU   4          1HB       LEU   4 -16.913 -13.945  -1.554
   30   2HB   LEU   4          2HB       LEU   4 -17.670 -14.797  -2.885
   31    HG   LEU   4           HG       LEU   4 -18.624 -12.046  -2.682
   32   1HD1  LEU   4          3HD1      LEU   4 -15.796 -12.474  -2.247
   33   2HD1  LEU   4          1HD1      LEU   4 -16.083 -11.588  -3.764
   34   3HD1  LEU   4          2HD1      LEU   4 -16.739 -10.964  -2.231
   35   1HD2  LEU   4          3HD2      LEU   4 -18.535 -13.924  -4.609
   36   2HD2  LEU   4          1HD2      LEU   4 -18.663 -12.179  -4.936
   37   3HD2  LEU   4          2HD2      LEU   4 -17.081 -12.989  -5.031
   38    H    THR   5           H        THR   5 -17.257 -14.064   0.550
   39    HA   THR   5           HA       THR   5 -18.395 -11.720   1.794
   40    HB   THR   5           HB       THR   5 -19.237 -12.745   3.716
   41    HG1  THR   5           HG1      THR   5 -18.160 -14.642   4.522
   42   1HG2  THR   5          2HG2      THR   5 -19.272 -15.102   1.756
   43   2HG2  THR   5          3HG2      THR   5 -20.262 -14.973   3.229
   44   3HG2  THR   5          1HG2      THR   5 -20.529 -13.847   1.877
   45    H    GLU   6           H        GLU   6 -17.028 -12.025   4.289
   46    HA   GLU   6           HA       GLU   6 -14.660 -10.922   3.708
   47   1HB   GLU   6          1HB       GLU   6 -15.355 -12.708   6.079
   48   2HB   GLU   6          2HB       GLU   6 -13.937 -11.680   6.017
   49   1HG   GLU   6          1HG       GLU   6 -15.456  -9.687   5.633
   50   2HG   GLU   6          2HG       GLU   6 -16.839 -10.745   5.833
   51    H    GLU   7           H        GLU   7 -15.468 -14.405   3.811
   52    HA   GLU   7           HA       GLU   7 -13.144 -15.625   4.012
   53   1HB   GLU   7          1HB       GLU   7 -15.438 -16.110   2.094
   54   2HB   GLU   7          2HB       GLU   7 -14.047 -17.176   2.082
   55   1HG   GLU   7          1HG       GLU   7 -14.741 -16.825   4.831
   56   2HG   GLU   7          2HG       GLU   7 -16.254 -17.073   3.981
   57    H    GLN   8           H        GLN   8 -14.225 -13.687   1.193
   58    HA   GLN   8           HA       GLN   8 -12.027 -14.447  -0.403
   59   1HB   GLN   8          1HB       GLN   8 -14.375 -12.674  -0.610
   60   2HB   GLN   8          2HB       GLN   8 -12.966 -12.014  -1.416
   61   1HG   GLN   8          1HG       GLN   8 -14.224 -14.754  -1.890
   62   2HG   GLN   8          2HG       GLN   8 -14.201 -13.403  -3.006
   63   1HE2  GLN   8          2HE2      GLN   8 -11.452 -16.095  -3.476
   64   2HE2  GLN   8          1HE2      GLN   8 -13.099 -16.239  -2.960
   65    H    ILE   9           H        ILE   9 -12.837 -11.598   1.670
   66    HA   ILE   9           HA       ILE   9 -10.619 -10.062   1.043
   67    HB   ILE   9           HB       ILE   9 -12.828  -9.780   2.578
   68   1HG1  ILE   9          1HG1      ILE   9 -11.399  -7.648   3.420
   69   2HG1  ILE   9          2HG1      ILE   9 -10.360  -8.187   2.116
   70   1HG2  ILE   9          1HG2      ILE   9 -11.893 -11.060   4.439
   71   2HG2  ILE   9          2HG2      ILE   9 -10.506  -9.948   4.520
   72   3HG2  ILE   9          3HG2      ILE   9 -12.145  -9.356   4.888
   73   1HD1  ILE   9          2HD1      ILE   9 -13.312  -8.084   1.554
   74   2HD1  ILE   9          3HD1      ILE   9 -12.440  -6.538   1.682
   75   3HD1  ILE   9          1HD1      ILE   9 -11.939  -7.745   0.473
   76    H    ALA  10           H        ALA  10 -11.082 -12.607   3.573
   77    HA   ALA  10           HA       ALA  10  -8.803 -12.442   4.963
   78   1HB   ALA  10          1HB       ALA  10 -10.794 -14.364   4.477
   79   2HB   ALA  10          2HB       ALA  10  -9.261 -15.203   4.140
   80   3HB   ALA  10          3HB       ALA  10  -9.525 -14.434   5.723
   81    H    GLU  11           H        GLU  11  -9.169 -13.645   1.596
   82    HA   GLU  11           HA       GLU  11  -6.523 -14.555   1.421
   83   1HB   GLU  11          1HB       GLU  11  -8.502 -13.759  -0.759
   84   2HB   GLU  11          2HB       GLU  11  -6.996 -14.606  -1.049
   85   1HG   GLU  11          1HG       GLU  11  -7.751 -16.485   0.399
   86   2HG   GLU  11          2HG       GLU  11  -9.241 -15.633   0.751
   87    H    PHE  12           H        PHE  12  -8.203 -11.501   0.455
   88    HA   PHE  12           HA       PHE  12  -6.083 -10.298  -0.833
   89   1HB   PHE  12          1HB       PHE  12  -8.509  -9.440   0.799
   90   2HB   PHE  12          2HB       PHE  12  -7.390  -8.195   0.280
   91    HD1  PHE  12           HD1      PHE  12  -8.983 -11.193  -1.296
   92    HD2  PHE  12           HD2      PHE  12  -8.068  -7.060  -1.594
   93    HE1  PHE  12           HE1      PHE  12 -10.121 -11.102  -3.532
   94    HE2  PHE  12           HE2      PHE  12  -9.206  -6.969  -3.830
   95    HZ   PHE  12           HZ       PHE  12 -10.219  -8.992  -4.772
   96    H    LYS  13           H        LYS  13  -6.714 -10.775   2.633
   97    HA   LYS  13           HA       LYS  13  -5.329  -8.837   3.848
   98   1HB   LYS  13          1HB       LYS  13  -5.338 -11.806   4.446
   99   2HB   LYS  13          2HB       LYS  13  -4.671 -10.606   5.534
  100   1HG   LYS  13          1HG       LYS  13  -6.992  -9.399   5.284
  101   2HG   LYS  13          2HG       LYS  13  -7.556 -10.927   4.637
  102   1HD   LYS  13          1HD       LYS  13  -6.663 -12.063   6.741
  103   2HD   LYS  13          2HD       LYS  13  -6.312 -10.473   7.388
  104   1HE   LYS  13          1HE       LYS  13  -8.461 -10.268   8.080
  105   2HE   LYS  13          2HE       LYS  13  -9.016 -10.393   6.422
  106   1HZ   LYS  13          1HZ       LYS  13  -8.252 -12.904   7.495
  107   2HZ   LYS  13          2HZ       LYS  13  -9.444 -12.207   8.366
  108   3HZ   LYS  13          3HZ       LYS  13  -9.647 -12.469   6.767
  109    H    GLU  14           H        GLU  14  -3.743 -11.924   2.752
  110    HA   GLU  14           HA       GLU  14  -1.203 -11.211   3.235
  111   1HB   GLU  14          1HB       GLU  14  -2.327 -12.832   0.914
  112   2HB   GLU  14          2HB       GLU  14  -0.615 -12.752   1.279
  113   1HG   GLU  14          1HG       GLU  14  -1.551 -13.370   3.763
  114   2HG   GLU  14          2HG       GLU  14  -2.825 -14.095   2.803
  115    H    ALA  15           H        ALA  15  -3.260 -10.243   0.459
  116    HA   ALA  15           HA       ALA  15  -1.344  -9.192  -1.205
  117   1HB   ALA  15          1HB       ALA  15  -3.986  -9.456  -1.337
  118   2HB   ALA  15          2HB       ALA  15  -3.956  -7.758  -0.805
  119   3HB   ALA  15          3HB       ALA  15  -3.138  -8.233  -2.313
  120    H    PHE  16           H        PHE  16  -3.197  -7.493   1.423
  121    HA   PHE  16           HA       PHE  16  -1.967  -5.055   1.187
  122   1HB   PHE  16          1HB       PHE  16  -3.953  -5.810   2.640
  123   2HB   PHE  16          2HB       PHE  16  -2.812  -6.579   3.725
  124    HD1  PHE  16           HD2      PHE  16  -3.744  -3.274   2.304
  125    HD2  PHE  16           HD1      PHE  16  -1.828  -5.362   5.464
  126    HE1  PHE  16           HE2      PHE  16  -3.511  -1.126   3.582
  127    HE2  PHE  16           HE1      PHE  16  -1.595  -3.214   6.741
  128    HZ   PHE  16           HZ       PHE  16  -2.439  -1.122   5.785
  129    H    SER  17           H        SER  17  -0.843  -8.039   2.829
  130    HA   SER  17           HA       SER  17   1.150  -6.920   4.339
  131   1HB   SER  17          1HB       SER  17   0.224  -9.394   4.123
  132   2HB   SER  17          2HB       SER  17   1.532  -9.593   2.974
  133    HG   SER  17           HG       SER  17   1.900  -8.585   5.664
  134    H    LEU  18           H        LEU  18   1.284  -8.280   0.969
  135    HA   LEU  18           HA       LEU  18   3.859  -8.076   0.349
  136   1HB   LEU  18          1HB       LEU  18   1.354  -7.929  -1.066
  137   2HB   LEU  18          2HB       LEU  18   2.532  -6.879  -1.828
  138    HG   LEU  18           HG       LEU  18   4.025  -9.138  -1.473
  139   1HD1  LEU  18          3HD1      LEU  18   1.665 -10.123  -0.712
  140   2HD1  LEU  18          1HD1      LEU  18   1.493 -10.346  -2.470
  141   3HD1  LEU  18          2HD1      LEU  18   2.864 -11.086  -1.609
  142   1HD2  LEU  18          2HD2      LEU  18   2.485  -7.951  -3.718
  143   2HD2  LEU  18          3HD2      LEU  18   4.228  -8.271  -3.555
  144   3HD2  LEU  18          1HD2      LEU  18   3.112  -9.600  -3.951
  145    H    PHE  19           H        PHE  19   1.566  -5.293   0.563
  146    HA   PHE  19           HA       PHE  19   3.689  -3.448  -0.033
  147   1HB   PHE  19          1HB       PHE  19   0.731  -3.350   0.761
  148   2HB   PHE  19          2HB       PHE  19   1.665  -1.869   0.670
  149    HD1  PHE  19           HD1      PHE  19   3.022  -1.596  -1.615
  150    HD2  PHE  19           HD2      PHE  19  -0.445  -3.990  -1.114
  151    HE1  PHE  19           HE1      PHE  19   2.575  -1.465  -4.081
  152    HE2  PHE  19           HE2      PHE  19  -0.893  -3.859  -3.580
  153    HZ   PHE  19           HZ       PHE  19   0.623  -2.598  -5.034
  154    H    ASP  20           H        ASP  20   1.665  -4.398   2.815
  155    HA   ASP  20           HA       ASP  20   3.068  -2.557   4.472
  156   1HB   ASP  20          1HB       ASP  20   0.753  -2.985   5.005
  157   2HB   ASP  20          2HB       ASP  20   0.985  -4.721   4.957
  158    H    LYS  21           H        LYS  21   5.300  -3.321   4.361
  159    HA   LYS  21           HA       LYS  21   5.996  -6.015   4.726
  160   1HB   LYS  21          1HB       LYS  21   7.293  -3.851   3.819
  161   2HB   LYS  21          2HB       LYS  21   7.905  -3.842   5.460
  162   1HG   LYS  21          1HG       LYS  21   7.909  -6.381   3.780
  163   2HG   LYS  21          2HG       LYS  21   9.220  -5.223   3.686
  164   1HD   LYS  21          1HD       LYS  21   8.273  -6.485   6.301
  165   2HD   LYS  21          2HD       LYS  21   9.591  -7.127   5.340
  166   1HE   LYS  21          1HE       LYS  21  11.048  -5.574   6.143
  167   2HE   LYS  21          2HE       LYS  21   9.957  -4.255   5.763
  168   1HZ   LYS  21          1HZ       LYS  21   9.106  -5.822   7.986
  169   2HZ   LYS  21          2HZ       LYS  21  10.549  -5.097   8.230
  170   3HZ   LYS  21          3HZ       LYS  21   9.239  -4.200   7.846
  171    H    ASP  22           H        ASP  22   6.205  -3.184   7.001
  172    HA   ASP  22           HA       ASP  22   7.045  -4.512   9.176
  173   1HB   ASP  22          1HB       ASP  22   5.284  -2.776  10.338
  174   2HB   ASP  22          2HB       ASP  22   6.844  -2.292   9.703
  175    H    GLY  23           H        GLY  23   3.944  -4.705   7.522
  176   1HA   GLY  23          1HA       GLY  23   2.094  -5.932   7.866
  177   2HA   GLY  23          2HA       GLY  23   3.055  -6.954   8.916
  178    H    ASP  24           H        ASP  24   3.045  -3.590   9.824
  179    HA   ASP  24           HA       ASP  24   1.987  -4.106  12.298
  180   1HB   ASP  24          1HB       ASP  24   1.788  -1.621  12.493
  181   2HB   ASP  24          2HB       ASP  24   3.333  -2.116  11.831
  182    H    GLY  25           H        GLY  25   0.503  -3.155   9.181
  183   1HA   GLY  25          1HA       GLY  25  -1.839  -4.014   9.015
  184   2HA   GLY  25          2HA       GLY  25  -2.157  -3.098  10.474
  185    H    THR  26           H        THR  26   0.183  -1.335   8.847
  186    HA   THR  26           HA       THR  26  -1.778   0.083   7.183
  187    HB   THR  26           HB       THR  26  -0.847   2.226   8.142
  188    HG1  THR  26           HG1      THR  26   0.820   1.983   9.622
  189   1HG2  THR  26          2HG2      THR  26  -2.610   0.411   9.473
  190   2HG2  THR  26          3HG2      THR  26  -1.474   0.995  10.713
  191   3HG2  THR  26          1HG2      THR  26  -2.443   2.157   9.776
  192    H    ILE  27           H        ILE  27  -0.951   1.124   5.345
  193    HA   ILE  27           HA       ILE  27   1.809   0.318   4.743
  194    HB   ILE  27           HB       ILE  27  -0.593   0.598   2.937
  195   1HG1  ILE  27          1HG1      ILE  27   1.097  -1.841   3.550
  196   2HG1  ILE  27          2HG1      ILE  27  -0.406  -1.468   4.370
  197   1HG2  ILE  27          2HG2      ILE  27   1.591   1.451   1.965
  198   2HG2  ILE  27          3HG2      ILE  27   2.190  -0.221   2.092
  199   3HG2  ILE  27          1HG2      ILE  27   0.780   0.144   1.070
  200   1HD1  ILE  27          2HD1      ILE  27  -0.186  -1.688   1.336
  201   2HD1  ILE  27          3HD1      ILE  27  -0.633  -3.051   2.390
  202   3HD1  ILE  27          1HD1      ILE  27  -1.675  -1.610   2.308
  203    H    THR  28           H        THR  28   3.045   2.085   5.222
  204    HA   THR  28           HA       THR  28   2.040   4.735   4.801
  205    HB   THR  28           HB       THR  28   3.572   4.127   6.672
  206    HG1  THR  28           HG1      THR  28   3.815   6.278   5.962
  207   1HG2  THR  28          2HG2      THR  28   5.001   2.696   4.681
  208   2HG2  THR  28          3HG2      THR  28   6.017   4.110   5.047
  209   3HG2  THR  28          1HG2      THR  28   5.536   2.998   6.351
  210    H    THR  29           H        THR  29   4.666   5.791   3.852
  211    HA   THR  29           HA       THR  29   4.082   5.450   1.021
  212    HB   THR  29           HB       THR  29   5.674   7.450   0.898
  213    HG1  THR  29           HG1      THR  29   6.869   7.076   2.833
  214   1HG2  THR  29          2HG2      THR  29   3.158   7.424   2.572
  215   2HG2  THR  29          3HG2      THR  29   4.171   8.886   2.614
  216   3HG2  THR  29          1HG2      THR  29   3.498   8.314   1.069
  217    H    LYS  30           H        LYS  30   6.884   5.160   3.292
  218    HA   LYS  30           HA       LYS  30   8.702   4.313   1.377
  219   1HB   LYS  30          1HB       LYS  30   8.550   4.555   4.253
  220   2HB   LYS  30          2HB       LYS  30   9.346   3.054   3.825
  221   1HG   LYS  30          1HG       LYS  30  10.148   5.496   2.267
  222   2HG   LYS  30          2HG       LYS  30  10.654   5.433   3.943
  223   1HD   LYS  30          1HD       LYS  30  11.207   2.842   2.967
  224   2HD   LYS  30          2HD       LYS  30  11.648   3.897   1.639
  225   1HE   LYS  30          1HE       LYS  30  12.550   4.836   4.326
  226   2HE   LYS  30          2HE       LYS  30  13.282   3.336   3.792
  227   1HZ   LYS  30          2HZ       LYS  30  13.161   5.719   2.087
  228   2HZ   LYS  30          3HZ       LYS  30  14.418   5.406   3.080
  229   3HZ   LYS  30          1HZ       LYS  30  14.066   4.379   1.860
  230    H    GLU  31           H        GLU  31   6.059   2.626   3.038
  231    HA   GLU  31           HA       GLU  31   7.032   0.066   2.257
  232   1HB   GLU  31          1HB       GLU  31   4.380   0.981   3.450
  233   2HB   GLU  31          2HB       GLU  31   4.773  -0.698   3.142
  234   1HG   GLU  31          1HG       GLU  31   6.938   0.650   4.603
  235   2HG   GLU  31          2HG       GLU  31   5.415   0.787   5.458
  236    H    LEU  32           H        LEU  32   5.031   2.615   0.900
  237    HA   LEU  32           HA       LEU  32   3.709   0.871  -0.965
  238   1HB   LEU  32          1HB       LEU  32   3.004   3.189   0.143
  239   2HB   LEU  32          2HB       LEU  32   3.777   3.829  -1.295
  240    HG   LEU  32           HG       LEU  32   2.243   2.108  -2.557
  241   1HD1  LEU  32          2HD1      LEU  32   0.986   2.268   0.170
  242   2HD1  LEU  32          3HD1      LEU  32  -0.015   2.042  -1.284
  243   3HD1  LEU  32          1HD1      LEU  32   1.247   0.854  -0.880
  244   1HD2  LEU  32          1HD2      LEU  32   1.960   4.862  -1.756
  245   2HD2  LEU  32          2HD2      LEU  32   1.490   4.066  -3.277
  246   3HD2  LEU  32          3HD2      LEU  32   0.360   4.095  -1.903
  247    H    GLY  33           H        GLY  33   6.762   2.515  -0.680
  248   1HA   GLY  33          1HA       GLY  33   7.195   2.372  -3.591
  249   2HA   GLY  33          2HA       GLY  33   8.127   3.311  -2.442
  250    H    THR  34           H        THR  34   7.143   0.038  -1.537
  251    HA   THR  34           HA       THR  34   9.931  -0.826  -1.940
  252    HB   THR  34           HB       THR  34   8.015  -0.938   0.329
  253    HG1  THR  34           HG1      THR  34  10.869  -1.479  -0.106
  254   1HG2  THR  34          1HG2      THR  34   9.760  -3.358  -0.374
  255   2HG2  THR  34          2HG2      THR  34   8.905  -3.106   1.167
  256   3HG2  THR  34          3HG2      THR  34   7.981  -3.363  -0.332
  257    H    VAL  35           H        VAL  35   6.496  -1.521  -2.477
  258    HA   VAL  35           HA       VAL  35   7.084  -4.162  -3.469
  259    HB   VAL  35           HB       VAL  35   4.679  -2.475  -2.976
  260   1HG1  VAL  35          1HG1      VAL  35   4.885  -4.576  -5.110
  261   2HG1  VAL  35          2HG1      VAL  35   3.388  -4.449  -4.156
  262   3HG1  VAL  35          3HG1      VAL  35   3.966  -3.051  -5.094
  263   1HG2  VAL  35          3HG2      VAL  35   5.471  -5.338  -2.356
  264   2HG2  VAL  35          1HG2      VAL  35   5.377  -3.967  -1.225
  265   3HG2  VAL  35          2HG2      VAL  35   3.891  -4.627  -1.949
  266    H    MET  36           H        MET  36   6.857  -0.854  -4.651
  267    HA   MET  36           HA       MET  36   6.329  -1.557  -7.326
  268   1HB   MET  36          1HB       MET  36   7.637   0.949  -6.128
  269   2HB   MET  36          2HB       MET  36   6.967   0.843  -7.744
  270   1HG   MET  36          1HG       MET  36   4.910  -0.071  -5.979
  271   2HG   MET  36          2HG       MET  36   5.589   1.360  -5.229
  272   1HE   MET  36          1HE       MET  36   2.904   0.628  -6.245
  273   2HE   MET  36          2HE       MET  36   2.254   2.047  -7.101
  274   3HE   MET  36          3HE       MET  36   2.714   0.590  -8.014
  275    H    ARG  37           H        ARG  37   9.307  -0.856  -5.414
  276    HA   ARG  37           HA       ARG  37  11.053  -0.775  -7.519
  277   1HB   ARG  37          1HB       ARG  37  12.776  -1.504  -5.753
  278   2HB   ARG  37          2HB       ARG  37  11.820  -0.095  -5.339
  279   1HG   ARG  37          1HG       ARG  37  10.355  -1.406  -3.900
  280   2HG   ARG  37          2HG       ARG  37  11.040  -2.914  -4.473
  281   1HD   ARG  37          1HD       ARG  37  12.245  -2.686  -2.495
  282   2HD   ARG  37          2HD       ARG  37  13.331  -1.840  -3.580
  283    HE   ARG  37           HE       ARG  37  11.527   0.116  -2.687
  284   1HH1  ARG  37          2HH2      ARG  37  13.835  -2.083  -1.196
  285   2HH1  ARG  37          1HH2      ARG  37  14.156  -1.038   0.147
  286   1HH2  ARG  37          2HH1      ARG  37  11.951   1.495  -0.915
  287   2HH2  ARG  37          1HH1      ARG  37  13.077   1.011   0.308
  288    H    SER  38           H        SER  38   9.201  -3.418  -6.266
  289    HA   SER  38           HA       SER  38  11.087  -5.388  -7.199
  290   1HB   SER  38          1HB       SER  38   8.303  -5.846  -6.051
  291   2HB   SER  38          2HB       SER  38   9.589  -7.027  -6.201
  292    HG   SER  38           HG       SER  38   9.916  -4.623  -4.637
  293    H    LEU  39           H        LEU  39   9.106  -3.328  -8.734
  294    HA   LEU  39           HA       LEU  39   8.258  -5.358 -10.679
  295   1HB   LEU  39          1HB       LEU  39   6.571  -3.816  -9.133
  296   2HB   LEU  39          2HB       LEU  39   6.669  -2.903 -10.626
  297    HG   LEU  39           HG       LEU  39   6.285  -5.596 -11.396
  298   1HD1  LEU  39          3HD1      LEU  39   4.636  -4.825  -8.993
  299   2HD1  LEU  39          1HD1      LEU  39   4.033  -5.966 -10.219
  300   3HD1  LEU  39          2HD1      LEU  39   5.520  -6.336  -9.314
  301   1HD2  LEU  39          1HD2      LEU  39   5.465  -3.293 -12.319
  302   2HD2  LEU  39          2HD2      LEU  39   4.490  -4.760 -12.577
  303   3HD2  LEU  39          3HD2      LEU  39   4.041  -3.607 -11.298
  304    H    GLY  40           H        GLY  40  10.479  -3.034 -10.008
  305   1HA   GLY  40          1HA       GLY  40  12.013  -2.201 -11.508
  306   2HA   GLY  40          2HA       GLY  40  10.907  -2.491 -12.836
  307    H    GLN  41           H        GLN  41   9.822  -0.872  -9.852
  308    HA   GLN  41           HA       GLN  41   9.789   1.622 -11.367
  309   1HB   GLN  41          1HB       GLN  41   7.629   0.213  -9.859
  310   2HB   GLN  41          2HB       GLN  41   7.708   1.947  -9.618
  311   1HG   GLN  41          1HG       GLN  41   8.016   1.789 -12.360
  312   2HG   GLN  41          2HG       GLN  41   6.983   0.405 -12.064
  313   1HE2  GLN  41          2HE2      GLN  41   4.449   2.511 -10.359
  314   2HE2  GLN  41          1HE2      GLN  41   5.465   1.167  -9.957
  315    H    ASN  42           H        ASN  42   9.146   3.485  -9.517
  316    HA   ASN  42           HA       ASN  42  10.102   3.158  -6.980
  317   1HB   ASN  42          1HB       ASN  42  12.294   2.886  -8.491
  318   2HB   ASN  42          2HB       ASN  42  12.214   4.634  -8.586
  319   1HD2  ASN  42          2HD2      ASN  42  13.954   4.998  -5.629
  320   2HD2  ASN  42          1HD2      ASN  42  13.678   5.430  -7.284
  321    HA   PRO  43           HA       PRO  43   8.186   7.118  -8.263
  322   1HB   PRO  43          1HB       PRO  43   5.907   6.945  -6.764
  323   2HB   PRO  43          2HB       PRO  43   5.994   6.436  -8.439
  324   1HG   PRO  43          1HG       PRO  43   5.920   4.771  -5.997
  325   2HG   PRO  43          2HG       PRO  43   5.582   4.307  -7.653
  326   1HD   PRO  43          1HD       PRO  43   7.971   3.746  -6.167
  327   2HD   PRO  43          2HD       PRO  43   7.678   3.384  -7.856
  328    H    THR  44           H        THR  44   8.516   9.097  -7.367
  329    HA   THR  44           HA       THR  44   9.977   9.126  -4.976
  330    HB   THR  44           HB       THR  44   9.774  11.590  -5.271
  331    HG1  THR  44           HG1      THR  44   7.974  12.299  -6.381
  332   1HG2  THR  44          3HG2      THR  44  10.365   9.778  -7.559
  333   2HG2  THR  44          1HG2      THR  44   9.897  11.425  -8.044
  334   3HG2  THR  44          2HG2      THR  44  11.287  11.179  -6.961
  335    H    GLU  45           H        GLU  45   9.453  10.158  -2.921
  336    HA   GLU  45           HA       GLU  45   7.276   9.013  -1.760
  337   1HB   GLU  45          1HB       GLU  45   9.420  10.711  -0.979
  338   2HB   GLU  45          2HB       GLU  45   7.963  11.494  -0.400
  339   1HG   GLU  45          1HG       GLU  45   7.252   9.397   0.727
  340   2HG   GLU  45          2HG       GLU  45   8.657   8.560   0.097
  341    H    ALA  46           H        ALA  46   7.525  12.007  -3.620
  342    HA   ALA  46           HA       ALA  46   5.179  13.232  -2.649
  343   1HB   ALA  46          3HB       ALA  46   6.981  14.429  -3.833
  344   2HB   ALA  46          1HB       ALA  46   6.635  13.499  -5.311
  345   3HB   ALA  46          2HB       ALA  46   5.424  14.635  -4.671
  346    H    GLU  47           H        GLU  47   5.901  11.005  -5.403
  347    HA   GLU  47           HA       GLU  47   3.389  11.092  -6.524
  348   1HB   GLU  47          1HB       GLU  47   5.287  10.116  -7.697
  349   2HB   GLU  47          2HB       GLU  47   5.485   8.882  -6.469
  350   1HG   GLU  47          1HG       GLU  47   3.659   7.638  -7.210
  351   2HG   GLU  47          2HG       GLU  47   2.787   9.047  -7.780
  352    H    LEU  48           H        LEU  48   4.766   8.525  -4.332
  353    HA   LEU  48           HA       LEU  48   2.536   7.034  -3.983
  354   1HB   LEU  48          1HB       LEU  48   4.591   7.758  -1.889
  355   2HB   LEU  48          2HB       LEU  48   3.485   6.401  -1.808
  356    HG   LEU  48           HG       LEU  48   5.335   6.632  -4.160
  357   1HD1  LEU  48          1HD1      LEU  48   6.124   5.973  -1.342
  358   2HD1  LEU  48          2HD1      LEU  48   6.905   5.132  -2.703
  359   3HD1  LEU  48          3HD1      LEU  48   6.993   6.906  -2.584
  360   1HD2  LEU  48          3HD2      LEU  48   3.465   4.722  -3.172
  361   2HD2  LEU  48          1HD2      LEU  48   4.476   4.646  -4.636
  362   3HD2  LEU  48          2HD2      LEU  48   5.090   4.000  -3.095
  363    H    GLN  49           H        GLN  49   3.508   9.827  -1.864
  364    HA   GLN  49           HA       GLN  49   1.423   9.894  -0.225
  365   1HB   GLN  49          1HB       GLN  49   3.483  11.579  -0.743
  366   2HB   GLN  49          2HB       GLN  49   2.181  12.543  -1.410
  367   1HG   GLN  49          1HG       GLN  49   2.094  13.259   0.801
  368   2HG   GLN  49          2HG       GLN  49   0.955  11.929   0.882
  369   1HE2  GLN  49          2HE2      GLN  49   2.670  10.441   3.479
  370   2HE2  GLN  49          1HE2      GLN  49   1.189  10.953   2.742
  371    H    ASP  50           H        ASP  50   1.473  11.080  -3.628
  372    HA   ASP  50           HA       ASP  50  -1.068  12.214  -3.529
  373   1HB   ASP  50          1HB       ASP  50   1.012  11.691  -5.488
  374   2HB   ASP  50          2HB       ASP  50  -0.534  11.235  -6.176
  375    H    MET  51           H        MET  51   0.245   8.965  -4.399
  376    HA   MET  51           HA       MET  51  -2.162   7.954  -5.395
  377   1HB   MET  51          1HB       MET  51   0.200   6.478  -4.102
  378   2HB   MET  51          2HB       MET  51  -0.982   5.755  -5.174
  379   1HG   MET  51          1HG       MET  51  -0.201   7.015  -7.072
  380   2HG   MET  51          2HG       MET  51   0.693   8.137  -6.065
  381   1HE   MET  51          1HE       MET  51   0.628   5.615  -8.287
  382   2HE   MET  51          2HE       MET  51   2.293   4.989  -8.363
  383   3HE   MET  51          3HE       MET  51   1.055   4.116  -7.428
  384    H    ILE  52           H        ILE  52  -0.466   7.375  -2.223
  385    HA   ILE  52           HA       ILE  52  -2.282   5.791  -1.017
  386    HB   ILE  52           HB       ILE  52  -0.511   7.977   0.028
  387   1HG1  ILE  52          1HG1      ILE  52  -0.416   4.965  -0.086
  388   2HG1  ILE  52          2HG1      ILE  52   0.730   6.125  -0.727
  389   1HG2  ILE  52          3HG2      ILE  52  -2.764   6.825   1.411
  390   2HG2  ILE  52          1HG2      ILE  52  -1.242   6.348   2.201
  391   3HG2  ILE  52          2HG2      ILE  52  -1.613   8.071   1.951
  392   1HD1  ILE  52          1HD1      ILE  52   0.739   6.809   1.949
  393   2HD1  ILE  52          2HD1      ILE  52   0.469   5.052   2.028
  394   3HD1  ILE  52          3HD1      ILE  52   1.901   5.695   1.189
  395    H    ASN  53           H        ASN  53  -2.408   9.397  -1.274
  396    HA   ASN  53           HA       ASN  53  -4.565   9.855   0.268
  397   1HB   ASN  53          1HB       ASN  53  -3.293  11.154  -2.082
  398   2HB   ASN  53          2HB       ASN  53  -4.992  11.554  -1.925
  399   1HD2  ASN  53          2HD2      ASN  53  -2.583  13.788   0.073
  400   2HD2  ASN  53          1HD2      ASN  53  -2.469  13.088  -1.508
  401    H    GLU  54           H        GLU  54  -4.390   8.723  -3.161
  402    HA   GLU  54           HA       GLU  54  -7.064   8.930  -3.763
  403   1HB   GLU  54          1HB       GLU  54  -5.120   6.811  -4.779
  404   2HB   GLU  54          2HB       GLU  54  -6.582   7.346  -5.583
  405   1HG   GLU  54          1HG       GLU  54  -5.425   9.760  -5.348
  406   2HG   GLU  54          2HG       GLU  54  -3.960   8.803  -5.242
  407    H    VAL  55           H        VAL  55  -5.271   6.542  -1.846
  408    HA   VAL  55           HA       VAL  55  -7.770   5.023  -1.544
  409    HB   VAL  55           HB       VAL  55  -5.834   3.351  -0.649
  410   1HG1  VAL  55          2HG1      VAL  55  -7.540   3.603  -2.964
  411   2HG1  VAL  55          3HG1      VAL  55  -5.997   2.844  -3.424
  412   3HG1  VAL  55          1HG1      VAL  55  -6.984   2.136  -2.123
  413   1HG2  VAL  55          3HG2      VAL  55  -4.099   5.048  -1.398
  414   2HG2  VAL  55          1HG2      VAL  55  -3.900   3.397  -2.033
  415   3HG2  VAL  55          2HG2      VAL  55  -4.582   4.674  -3.070
  416    H    ASP  56           H        ASP  56  -7.093   7.526  -0.170
  417    HA   ASP  56           HA       ASP  56  -7.341   6.483   2.484
  418   1HB   ASP  56          1HB       ASP  56  -5.023   6.745   2.688
  419   2HB   ASP  56          2HB       ASP  56  -4.959   8.042   1.511
  420    H    ALA  57           H        ALA  57  -9.324   7.522   2.875
  421    HA   ALA  57           HA       ALA  57  -9.620  10.279   1.964
  422   1HB   ALA  57          2HB       ALA  57 -11.364   8.649   1.357
  423   2HB   ALA  57          3HB       ALA  57 -11.619   8.267   3.077
  424   3HB   ALA  57          1HB       ALA  57 -12.014   9.888   2.457
  425    H    ASP  58           H        ASP  58  -8.741   8.426   4.729
  426    HA   ASP  58           HA       ASP  58  -9.913  10.075   6.675
  427   1HB   ASP  58          1HB       ASP  58  -9.109   8.455   8.046
  428   2HB   ASP  58          2HB       ASP  58  -8.489   7.658   6.614
  429    H    GLY  59           H        GLY  59  -6.676   9.822   5.067
  430   1HA   GLY  59          1HA       GLY  59  -5.245  11.562   4.604
  431   2HA   GLY  59          2HA       GLY  59  -6.137  12.614   5.685
  432    H    ASN  60           H        ASN  60  -5.105   9.327   6.638
  433    HA   ASN  60           HA       ASN  60  -3.711  10.457   8.839
  434   1HB   ASN  60          1HB       ASN  60  -3.398   8.117   9.542
  435   2HB   ASN  60          2HB       ASN  60  -5.048   8.322   8.986
  436   1HD2  ASN  60          2HD2      ASN  60  -3.738   5.183   7.540
  437   2HD2  ASN  60          1HD2      ASN  60  -4.034   5.847   9.112
  438    H    GLY  61           H        GLY  61  -3.013   9.482   5.570
  439   1HA   GLY  61          1HA       GLY  61  -0.978   9.968   4.529
  440   2HA   GLY  61          2HA       GLY  61  -0.137   9.799   6.058
  441    H    THR  62           H        THR  62  -1.610   7.268   6.789
  442    HA   THR  62           HA       THR  62  -0.027   5.487   5.081
  443    HB   THR  62           HB       THR  62  -0.604   3.920   7.119
  444    HG1  THR  62           HG1      THR  62  -1.779   5.006   8.654
  445   1HG2  THR  62          1HG2      THR  62   1.429   5.933   6.772
  446   2HG2  THR  62          2HG2      THR  62   0.876   6.017   8.462
  447   3HG2  THR  62          3HG2      THR  62   1.499   4.485   7.804
  448    H    ILE  63           H        ILE  63  -1.015   3.240   4.743
  449    HA   ILE  63           HA       ILE  63  -3.838   3.632   4.027
  450    HB   ILE  63           HB       ILE  63  -1.629   2.169   2.591
  451   1HG1  ILE  63          1HG1      ILE  63  -2.420   4.795   2.419
  452   2HG1  ILE  63          2HG1      ILE  63  -1.566   3.899   1.178
  453   1HG2  ILE  63          1HG2      ILE  63  -4.616   1.938   2.306
  454   2HG2  ILE  63          2HG2      ILE  63  -3.536   1.691   0.912
  455   3HG2  ILE  63          3HG2      ILE  63  -3.379   0.658   2.353
  456   1HD1  ILE  63          2HD1      ILE  63  -4.584   3.718   1.322
  457   2HD1  ILE  63          3HD1      ILE  63  -3.813   5.133   0.567
  458   3HD1  ILE  63          1HD1      ILE  63  -3.514   3.504  -0.084
  459    H    ASP  64           H        ASP  64  -5.303   2.196   4.839
  460    HA   ASP  64           HA       ASP  64  -4.161   0.105   6.490
  461   1HB   ASP  64          1HB       ASP  64  -7.009   1.203   6.356
  462   2HB   ASP  64          2HB       ASP  64  -6.445   0.011   7.510
  463    H    PHE  65           H        PHE  65  -6.230  -1.745   6.633
  464    HA   PHE  65           HA       PHE  65  -6.032  -3.063   4.152
  465   1HB   PHE  65          1HB       PHE  65  -6.311  -3.981   6.570
  466   2HB   PHE  65          2HB       PHE  65  -7.987  -3.478   6.490
  467    HD1  PHE  65           HD2      PHE  65  -5.965  -5.055   3.799
  468    HD2  PHE  65           HD1      PHE  65  -9.137  -5.511   6.582
  469    HE1  PHE  65           HE2      PHE  65  -6.574  -7.251   2.746
  470    HE2  PHE  65           HE1      PHE  65  -9.745  -7.706   5.529
  471    HZ   PHE  65           HZ       PHE  65  -8.457  -8.550   3.624
  472    HA   PRO  66           HA       PRO  66 -10.569  -1.719   3.781
  473   1HB   PRO  66          1HB       PRO  66 -11.504   0.304   5.362
  474   2HB   PRO  66          2HB       PRO  66 -11.734  -1.392   5.740
  475   1HG   PRO  66          1HG       PRO  66  -9.868   0.544   6.968
  476   2HG   PRO  66          2HG       PRO  66 -10.415  -1.000   7.591
  477   1HD   PRO  66          1HD       PRO  66  -7.868  -0.434   6.400
  478   2HD   PRO  66          2HD       PRO  66  -8.458  -2.001   6.916
  479    H    GLU  67           H        GLU  67  -7.891   0.243   3.982
  480    HA   GLU  67           HA       GLU  67  -9.153   2.224   2.279
  481   1HB   GLU  67          1HB       GLU  67  -6.312   2.379   3.325
  482   2HB   GLU  67          2HB       GLU  67  -7.367   3.692   2.840
  483   1HG   GLU  67          1HG       GLU  67  -8.335   1.955   5.093
  484   2HG   GLU  67          2HG       GLU  67  -6.970   2.997   5.440
  485    H    PHE  68           H        PHE  68  -6.862  -0.460   2.317
  486    HA   PHE  68           HA       PHE  68  -5.843   0.261  -0.305
  487   1HB   PHE  68          1HB       PHE  68  -4.113  -0.647   1.025
  488   2HB   PHE  68          2HB       PHE  68  -5.228  -1.597   1.987
  489    HD1  PHE  68           HD1      PHE  68  -6.171  -3.729   0.986
  490    HD2  PHE  68           HD2      PHE  68  -2.922  -1.626  -0.754
  491    HE1  PHE  68           HE1      PHE  68  -5.524  -5.788  -0.296
  492    HE2  PHE  68           HE2      PHE  68  -2.275  -3.684  -2.036
  493    HZ   PHE  68           HZ       PHE  68  -3.584  -5.741  -1.792
  494    H    LEU  69           H        LEU  69  -8.085  -1.991   1.303
  495    HA   LEU  69           HA       LEU  69  -8.300  -3.988  -0.522
  496   1HB   LEU  69          1HB       LEU  69 -10.184  -2.652   1.358
  497   2HB   LEU  69          2HB       LEU  69 -10.857  -3.763   0.182
  498    HG   LEU  69           HG       LEU  69  -8.595  -4.522   2.043
  499   1HD1  LEU  69          1HD1      LEU  69 -10.506  -3.844   3.399
  500   2HD1  LEU  69          2HD1      LEU  69 -11.569  -4.926   2.468
  501   3HD1  LEU  69          3HD1      LEU  69 -10.266  -5.606   3.471
  502   1HD2  LEU  69          3HD2      LEU  69  -8.950  -5.859  -0.050
  503   2HD2  LEU  69          1HD2      LEU  69  -9.103  -6.780   1.466
  504   3HD2  LEU  69          2HD2      LEU  69 -10.561  -6.291   0.571
  505    H    THR  70           H        THR  70  -9.323  -0.601  -0.817
  506    HA   THR  70           HA       THR  70 -10.998  -1.018  -3.077
  507    HB   THR  70           HB       THR  70 -11.366   0.948  -1.750
  508    HG1  THR  70           HG1      THR  70 -11.414   1.479  -3.995
  509   1HG2  THR  70          1HG2      THR  70  -8.451   0.940  -1.520
  510   2HG2  THR  70          2HG2      THR  70  -9.016   2.522  -2.108
  511   3HG2  THR  70          3HG2      THR  70  -9.637   1.870  -0.573
  512    H    MET  71           H        MET  71  -7.511  -0.365  -2.606
  513    HA   MET  71           HA       MET  71  -6.907   0.357  -5.169
  514   1HB   MET  71          1HB       MET  71  -5.548  -0.409  -2.765
  515   2HB   MET  71          2HB       MET  71  -4.876  -1.431  -4.020
  516   1HG   MET  71          1HG       MET  71  -5.112   1.251  -5.083
  517   2HG   MET  71          2HG       MET  71  -4.333   1.355  -3.516
  518   1HE   MET  71          2HE       MET  71  -3.045   2.305  -5.882
  519   2HE   MET  71          3HE       MET  71  -1.681   1.362  -6.529
  520   3HE   MET  71          1HE       MET  71  -3.320   1.116  -7.177
  521    H    MET  72           H        MET  72  -6.679  -2.983  -3.729
  522    HA   MET  72           HA       MET  72  -5.985  -4.273  -6.018
  523   1HB   MET  72          1HB       MET  72  -7.747  -5.160  -3.670
  524   2HB   MET  72          2HB       MET  72  -7.129  -6.283  -4.864
  525   1HG   MET  72          1HG       MET  72  -4.967  -4.583  -3.855
  526   2HG   MET  72          2HG       MET  72  -5.797  -5.366  -2.525
  527   1HE   MET  72          3HE       MET  72  -3.608  -5.529  -5.483
  528   2HE   MET  72          1HE       MET  72  -2.629  -5.941  -4.054
  529   3HE   MET  72          2HE       MET  72  -2.844  -7.132  -5.360
  530    H    ALA  73           H        ALA  73  -9.246  -3.297  -4.863
  531    HA   ALA  73           HA       ALA  73 -10.727  -4.754  -6.726
  532   1HB   ALA  73          2HB       ALA  73 -11.350  -3.343  -4.563
  533   2HB   ALA  73          3HB       ALA  73 -11.617  -2.051  -5.758
  534   3HB   ALA  73          1HB       ALA  73 -12.530  -3.574  -5.875
  535    H    ARG  74           H        ARG  74  -9.631  -1.286  -6.776
  536    HA   ARG  74           HA       ARG  74  -9.939  -1.454  -9.668
  537   1HB   ARG  74          1HB       ARG  74 -10.233   1.080  -9.558
  538   2HB   ARG  74          2HB       ARG  74 -11.531   0.165  -8.817
  539   1HG   ARG  74          1HG       ARG  74 -11.031   0.909  -6.700
  540   2HG   ARG  74          2HG       ARG  74  -9.301   0.800  -6.956
  541   1HD   ARG  74          1HD       ARG  74 -11.000   2.985  -8.241
  542   2HD   ARG  74          2HD       ARG  74 -10.274   3.176  -6.658
  543    HE   ARG  74           HE       ARG  74  -8.120   2.392  -8.164
  544   1HH1  ARG  74          2HH2      ARG  74 -10.571   4.867  -8.658
  545   2HH1  ARG  74          1HH2      ARG  74  -9.524   5.904  -9.569
  546   1HH2  ARG  74          2HH1      ARG  74  -6.738   3.758  -9.366
  547   2HH2  ARG  74          1HH1      ARG  74  -7.329   5.269  -9.974
  548    H    LYS  75           H        LYS  75  -7.647  -2.381  -9.484
  549    HA   LYS  75           HA       LYS  75  -5.576  -0.689  -8.542
  550   1HB   LYS  75          1HB       LYS  75  -4.446  -2.599  -8.639
  551   2HB   LYS  75          2HB       LYS  75  -5.866  -3.381  -9.303
  552   1HG   LYS  75          1HG       LYS  75  -5.119  -2.543 -11.614
  553   2HG   LYS  75          2HG       LYS  75  -3.616  -2.038 -10.866
  554   1HD   LYS  75          1HD       LYS  75  -3.091  -4.331 -10.199
  555   2HD   LYS  75          2HD       LYS  75  -4.680  -4.893 -10.680
  556   1HE   LYS  75          1HE       LYS  75  -3.883  -5.301 -12.763
  557   2HE   LYS  75          2HE       LYS  75  -3.598  -3.585 -12.975
  558   1HZ   LYS  75          3HZ       LYS  75  -1.620  -4.868 -11.376
  559   2HZ   LYS  75          1HZ       LYS  75  -1.696  -5.463 -12.895
  560   3HZ   LYS  75          2HZ       LYS  75  -1.437  -3.868 -12.654
   
  No H/Q in entry =         560
  Start of MODEL   14
    1    H    MET   0           H        MET   0 -30.815 -20.178  -0.391
    2    HA   MET   0           HA       MET   0 -29.956 -22.904  -0.930
    3   1HB   MET   0          1HB       MET   0 -32.382 -21.219  -1.702
    4   2HB   MET   0          2HB       MET   0 -32.011 -22.683  -2.590
    5   1HG   MET   0          1HG       MET   0 -32.559 -24.077  -0.813
    6   2HG   MET   0          2HG       MET   0 -32.006 -22.937   0.398
    7   1HE   MET   0          3HE       MET   0 -32.931 -20.697   0.609
    8   2HE   MET   0          1HE       MET   0 -34.650 -20.252   0.484
    9   3HE   MET   0          2HE       MET   0 -34.101 -21.325   1.794
   10    H    ALA   1           H        ALA   1 -28.311 -20.478  -1.520
   11    HA   ALA   1           HA       ALA   1 -27.948 -21.027  -4.353
   12   1HB   ALA   1          2HB       ALA   1 -29.308 -18.730  -3.469
   13   2HB   ALA   1          3HB       ALA   1 -27.651 -18.177  -3.812
   14   3HB   ALA   1          1HB       ALA   1 -28.596 -18.997  -5.078
   15    H    ASP   2           H        ASP   2 -25.957 -18.948  -4.692
   16    HA   ASP   2           HA       ASP   2 -24.008 -19.863  -2.725
   17   1HB   ASP   2          1HB       ASP   2 -22.304 -19.577  -4.595
   18   2HB   ASP   2          2HB       ASP   2 -23.432 -20.898  -4.821
   19    H    GLN   3           H        GLN   3 -22.043 -18.233  -2.650
   20    HA   GLN   3           HA       GLN   3 -21.970 -15.790  -3.675
   21   1HB   GLN   3          1HB       GLN   3 -24.266 -15.950  -1.894
   22   2HB   GLN   3          2HB       GLN   3 -23.118 -14.782  -1.271
   23   1HG   GLN   3          1HG       GLN   3 -23.064 -14.080  -3.908
   24   2HG   GLN   3          2HG       GLN   3 -24.691 -14.726  -3.824
   25   1HE2  GLN   3          2HE2      GLN   3 -23.745 -11.092  -2.304
   26   2HE2  GLN   3          1HE2      GLN   3 -22.658 -12.109  -3.190
   27    H    LEU   4           H        LEU   4 -20.036 -14.895  -3.002
   28    HA   LEU   4           HA       LEU   4 -18.673 -16.249  -0.873
   29   1HB   LEU   4          1HB       LEU   4 -16.830 -14.643  -1.546
   30   2HB   LEU   4          2HB       LEU   4 -17.339 -15.846  -2.715
   31    HG   LEU   4           HG       LEU   4 -18.749 -13.268  -2.960
   32   1HD1  LEU   4          3HD1      LEU   4 -16.351 -12.682  -2.230
   33   2HD1  LEU   4          1HD1      LEU   4 -15.866 -13.290  -3.832
   34   3HD1  LEU   4          2HD1      LEU   4 -16.997 -11.921  -3.704
   35   1HD2  LEU   4          1HD2      LEU   4 -18.463 -15.467  -4.515
   36   2HD2  LEU   4          2HD2      LEU   4 -18.898 -13.854  -5.129
   37   3HD2  LEU   4          3HD2      LEU   4 -17.210 -14.412  -5.210
   38    H    THR   5           H        THR   5 -17.242 -14.603   0.584
   39    HA   THR   5           HA       THR   5 -18.746 -12.294   1.421
   40    HB   THR   5           HB       THR   5 -19.642 -13.148   3.390
   41    HG1  THR   5           HG1      THR   5 -18.319 -14.485   4.653
   42   1HG2  THR   5          3HG2      THR   5 -19.150 -15.730   1.813
   43   2HG2  THR   5          1HG2      THR   5 -20.226 -15.598   3.225
   44   3HG2  THR   5          2HG2      THR   5 -20.610 -14.714   1.729
   45    H    GLU   6           H        GLU   6 -17.558 -12.003   3.975
   46    HA   GLU   6           HA       GLU   6 -15.295 -10.731   3.386
   47   1HB   GLU   6          1HB       GLU   6 -15.980 -12.230   5.950
   48   2HB   GLU   6          2HB       GLU   6 -14.657 -11.089   5.827
   49   1HG   GLU   6          1HG       GLU   6 -16.343  -9.346   5.017
   50   2HG   GLU   6          2HG       GLU   6 -17.617 -10.495   5.376
   51    H    GLU   7           H        GLU   7 -15.718 -14.235   3.825
   52    HA   GLU   7           HA       GLU   7 -13.291 -15.131   4.389
   53   1HB   GLU   7          1HB       GLU   7 -15.245 -16.146   2.288
   54   2HB   GLU   7          2HB       GLU   7 -13.815 -17.051   2.746
   55   1HG   GLU   7          1HG       GLU   7 -15.102 -16.230   5.182
   56   2HG   GLU   7          2HG       GLU   7 -16.354 -16.862   4.131
   57    H    GLN   8           H        GLN   8 -14.348 -13.770   1.231
   58    HA   GLN   8           HA       GLN   8 -12.058 -14.456  -0.170
   59   1HB   GLN   8          1HB       GLN   8 -14.476 -13.037  -0.651
   60   2HB   GLN   8          2HB       GLN   8 -13.188 -11.931  -1.084
   61   1HG   GLN   8          1HG       GLN   8 -13.671 -14.734  -2.173
   62   2HG   GLN   8          2HG       GLN   8 -13.694 -13.224  -3.062
   63   1HE2  GLN   8          2HE2      GLN   8 -10.431 -15.287  -3.279
   64   2HE2  GLN   8          1HE2      GLN   8 -12.089 -15.783  -3.199
   65    H    ILE   9           H        ILE   9 -12.920 -11.560   1.801
   66    HA   ILE   9           HA       ILE   9 -10.734  -9.995   1.155
   67    HB   ILE   9           HB       ILE   9 -12.941  -9.752   2.710
   68   1HG1  ILE   9          1HG1      ILE   9 -11.542  -7.567   3.493
   69   2HG1  ILE   9          2HG1      ILE   9 -10.536  -8.099   2.160
   70   1HG2  ILE   9          2HG2      ILE   9 -11.921 -10.975   4.576
   71   2HG2  ILE   9          3HG2      ILE   9 -10.591  -9.792   4.625
   72   3HG2  ILE   9          1HG2      ILE   9 -12.254  -9.278   5.000
   73   1HD1  ILE   9          3HD1      ILE   9 -13.498  -8.098   1.680
   74   2HD1  ILE   9          1HD1      ILE   9 -12.693  -6.515   1.796
   75   3HD1  ILE   9          2HD1      ILE   9 -12.167  -7.693   0.570
   76    H    ALA  10           H        ALA  10 -11.132 -12.510   3.727
   77    HA   ALA  10           HA       ALA  10  -8.816 -12.265   5.069
   78   1HB   ALA  10          2HB       ALA  10 -10.586 -13.931   5.518
   79   2HB   ALA  10          3HB       ALA  10 -10.086 -14.850   4.078
   80   3HB   ALA  10          1HB       ALA  10  -8.979 -14.694   5.463
   81    H    GLU  11           H        GLU  11  -9.280 -13.522   1.747
   82    HA   GLU  11           HA       GLU  11  -6.660 -14.510   1.532
   83   1HB   GLU  11          1HB       GLU  11  -8.644 -13.696  -0.639
   84   2HB   GLU  11          2HB       GLU  11  -7.188 -14.633  -0.910
   85   1HG   GLU  11          1HG       GLU  11  -8.027 -16.427   0.584
   86   2HG   GLU  11          2HG       GLU  11  -9.452 -15.479   0.960
   87    H    PHE  12           H        PHE  12  -8.284 -11.410   0.663
   88    HA   PHE  12           HA       PHE  12  -6.140 -10.294  -0.720
   89   1HB   PHE  12          1HB       PHE  12  -8.537  -9.316   0.904
   90   2HB   PHE  12          2HB       PHE  12  -7.414  -8.135   0.261
   91    HD1  PHE  12           HD2      PHE  12  -8.769 -11.281  -1.225
   92    HD2  PHE  12           HD1      PHE  12  -8.472  -7.056  -1.487
   93    HE1  PHE  12           HE2      PHE  12  -9.975 -11.332  -3.425
   94    HE2  PHE  12           HE1      PHE  12  -9.678  -7.107  -3.687
   95    HZ   PHE  12           HZ       PHE  12 -10.416  -9.245  -4.630
   96    H    LYS  13           H        LYS  13  -6.852 -10.601   2.762
   97    HA   LYS  13           HA       LYS  13  -5.428  -8.668   3.921
   98   1HB   LYS  13          1HB       LYS  13  -5.599 -11.606   4.609
   99   2HB   LYS  13          2HB       LYS  13  -4.787 -10.454   5.649
  100   1HG   LYS  13          1HG       LYS  13  -7.035  -9.053   5.376
  101   2HG   LYS  13          2HG       LYS  13  -7.720 -10.596   4.908
  102   1HD   LYS  13          1HD       LYS  13  -6.759 -11.581   7.065
  103   2HD   LYS  13          2HD       LYS  13  -6.307  -9.955   7.537
  104   1HE   LYS  13          1HE       LYS  13  -8.682  -9.230   7.411
  105   2HE   LYS  13          2HE       LYS  13  -9.158 -10.823   6.859
  106   1HZ   LYS  13          2HZ       LYS  13  -7.633 -10.885   9.260
  107   2HZ   LYS  13          3HZ       LYS  13  -9.026 -10.048   9.420
  108   3HZ   LYS  13          1HZ       LYS  13  -9.059 -11.601   8.916
  109    H    GLU  14           H        GLU  14  -3.941 -11.792   2.797
  110    HA   GLU  14           HA       GLU  14  -1.370 -11.132   3.343
  111   1HB   GLU  14          1HB       GLU  14  -2.450 -12.778   1.014
  112   2HB   GLU  14          2HB       GLU  14  -0.776 -12.783   1.530
  113   1HG   GLU  14          1HG       GLU  14  -1.926 -13.294   3.931
  114   2HG   GLU  14          2HG       GLU  14  -3.192 -13.935   2.902
  115    H    ALA  15           H        ALA  15  -3.345 -10.316   0.442
  116    HA   ALA  15           HA       ALA  15  -1.406  -9.333  -1.209
  117   1HB   ALA  15          2HB       ALA  15  -4.037  -9.569  -1.390
  118   2HB   ALA  15          3HB       ALA  15  -4.013  -7.860  -0.894
  119   3HB   ALA  15          1HB       ALA  15  -3.169  -8.368  -2.376
  120    H    PHE  16           H        PHE  16  -3.230  -7.534   1.369
  121    HA   PHE  16           HA       PHE  16  -2.013  -5.104   1.040
  122   1HB   PHE  16          1HB       PHE  16  -3.961  -5.744   2.548
  123   2HB   PHE  16          2HB       PHE  16  -2.849  -6.600   3.598
  124    HD1  PHE  16           HD2      PHE  16  -3.845  -3.259   2.397
  125    HD2  PHE  16           HD1      PHE  16  -1.543  -5.438   5.217
  126    HE1  PHE  16           HE2      PHE  16  -3.474  -1.157   3.718
  127    HE2  PHE  16           HE1      PHE  16  -1.171  -3.337   6.538
  128    HZ   PHE  16           HZ       PHE  16  -2.142  -1.221   5.773
  129    H    SER  17           H        SER  17  -0.845  -8.031   2.756
  130    HA   SER  17           HA       SER  17   1.165  -6.893   4.202
  131   1HB   SER  17          1HB       SER  17   0.264  -9.418   3.862
  132   2HB   SER  17          2HB       SER  17   1.699  -9.529   2.862
  133    HG   SER  17           HG       SER  17   3.012  -8.997   4.638
  134    H    LEU  18           H        LEU  18   1.276  -8.245   0.828
  135    HA   LEU  18           HA       LEU  18   3.829  -8.000   0.161
  136   1HB   LEU  18          1HB       LEU  18   1.302  -7.871  -1.205
  137   2HB   LEU  18          2HB       LEU  18   2.440  -6.782  -1.972
  138    HG   LEU  18           HG       LEU  18   3.976  -9.035  -1.668
  139   1HD1  LEU  18          2HD1      LEU  18   1.853 -10.194  -0.848
  140   2HD1  LEU  18          3HD1      LEU  18   1.282 -10.086  -2.531
  141   3HD1  LEU  18          1HD1      LEU  18   2.769 -10.989  -2.151
  142   1HD2  LEU  18          2HD2      LEU  18   3.371  -7.448  -3.682
  143   2HD2  LEU  18          3HD2      LEU  18   4.035  -9.077  -3.958
  144   3HD2  LEU  18          1HD2      LEU  18   2.286  -8.788  -4.125
  145    H    PHE  19           H        PHE  19   1.506  -5.217   0.255
  146    HA   PHE  19           HA       PHE  19   3.586  -3.354  -0.315
  147   1HB   PHE  19          1HB       PHE  19   0.679  -3.265   0.665
  148   2HB   PHE  19          2HB       PHE  19   1.600  -1.789   0.454
  149    HD1  PHE  19           HD2      PHE  19   0.135  -4.675  -1.306
  150    HD2  PHE  19           HD1      PHE  19   2.012  -0.891  -1.722
  151    HE1  PHE  19           HE2      PHE  19  -0.497  -4.629  -3.734
  152    HE2  PHE  19           HE1      PHE  19   1.380  -0.845  -4.151
  153    HZ   PHE  19           HZ       PHE  19   0.133  -2.714  -5.128
  154    H    ASP  20           H        ASP  20   1.776  -4.434   2.618
  155    HA   ASP  20           HA       ASP  20   3.229  -2.567   4.223
  156   1HB   ASP  20          1HB       ASP  20   0.932  -3.016   4.848
  157   2HB   ASP  20          2HB       ASP  20   1.187  -4.749   4.807
  158    H    LYS  21           H        LYS  21   5.450  -3.258   4.165
  159    HA   LYS  21           HA       LYS  21   6.205  -5.961   4.356
  160   1HB   LYS  21          1HB       LYS  21   7.608  -4.240   3.327
  161   2HB   LYS  21          2HB       LYS  21   7.771  -3.414   4.863
  162   1HG   LYS  21          1HG       LYS  21   8.492  -6.095   5.423
  163   2HG   LYS  21          2HG       LYS  21   9.214  -5.764   3.861
  164   1HD   LYS  21          1HD       LYS  21  10.837  -4.519   4.837
  165   2HD   LYS  21          2HD       LYS  21   9.636  -3.446   5.528
  166   1HE   LYS  21          1HE       LYS  21   9.432  -4.786   7.526
  167   2HE   LYS  21          2HE       LYS  21  10.278  -6.138   6.800
  168   1HZ   LYS  21          1HZ       LYS  21  12.014  -4.072   6.596
  169   2HZ   LYS  21          2HZ       LYS  21  11.344  -3.851   8.069
  170   3HZ   LYS  21          3HZ       LYS  21  12.074  -5.267   7.708
  171    H    ASP  22           H        ASP  22   6.419  -3.263   6.789
  172    HA   ASP  22           HA       ASP  22   7.265  -4.724   8.876
  173   1HB   ASP  22          1HB       ASP  22   5.063  -2.641   9.161
  174   2HB   ASP  22          2HB       ASP  22   6.345  -2.998  10.300
  175    H    GLY  23           H        GLY  23   4.137  -4.765   7.252
  176   1HA   GLY  23          1HA       GLY  23   2.289  -6.013   7.529
  177   2HA   GLY  23          2HA       GLY  23   3.240  -7.089   8.532
  178    H    ASP  24           H        ASP  24   3.219  -3.748   9.558
  179    HA   ASP  24           HA       ASP  24   2.169  -4.370  12.020
  180   1HB   ASP  24          1HB       ASP  24   1.934  -1.868  12.277
  181   2HB   ASP  24          2HB       ASP  24   3.512  -2.376  11.709
  182    H    GLY  25           H        GLY  25   0.696  -3.289   8.942
  183   1HA   GLY  25          1HA       GLY  25  -1.662  -4.143   8.774
  184   2HA   GLY  25          2HA       GLY  25  -1.963  -3.223  10.234
  185    H    THR  26           H        THR  26   0.293  -1.297   8.936
  186    HA   THR  26           HA       THR  26  -1.611   0.092   7.167
  187    HB   THR  26           HB       THR  26  -0.684   2.203   8.167
  188    HG1  THR  26           HG1      THR  26   1.248   1.796   9.172
  189   1HG2  THR  26          3HG2      THR  26  -2.369   0.321   9.529
  190   2HG2  THR  26          1HG2      THR  26  -1.217   0.946  10.734
  191   3HG2  THR  26          2HG2      THR  26  -2.250   2.073   9.823
  192    H    ILE  27           H        ILE  27  -0.779   1.166   5.349
  193    HA   ILE  27           HA       ILE  27   1.970   0.345   4.718
  194    HB   ILE  27           HB       ILE  27  -0.444   0.657   2.935
  195   1HG1  ILE  27          1HG1      ILE  27   1.264  -1.794   3.411
  196   2HG1  ILE  27          2HG1      ILE  27  -0.170  -1.441   4.354
  197   1HG2  ILE  27          1HG2      ILE  27   1.625   1.561   1.887
  198   2HG2  ILE  27          2HG2      ILE  27   2.386  -0.034   2.104
  199   3HG2  ILE  27          3HG2      ILE  27   0.958   0.136   1.055
  200   1HD1  ILE  27          1HD1      ILE  27  -0.173  -1.584   1.307
  201   2HD1  ILE  27          2HD1      ILE  27  -0.572  -2.961   2.362
  202   3HD1  ILE  27          3HD1      ILE  27  -1.589  -1.500   2.382
  203    H    THR  28           H        THR  28   3.278   2.067   5.092
  204    HA   THR  28           HA       THR  28   2.280   4.743   4.795
  205    HB   THR  28           HB       THR  28   3.891   4.036   6.583
  206    HG1  THR  28           HG1      THR  28   3.838   6.231   5.515
  207   1HG2  THR  28          2HG2      THR  28   5.672   3.537   4.150
  208   2HG2  THR  28          3HG2      THR  28   6.340   3.871   5.766
  209   3HG2  THR  28          1HG2      THR  28   5.339   2.423   5.498
  210    H    THR  29           H        THR  29   4.874   5.791   3.761
  211    HA   THR  29           HA       THR  29   4.137   5.621   0.968
  212    HB   THR  29           HB       THR  29   6.086   7.388   0.928
  213    HG1  THR  29           HG1      THR  29   7.066   7.266   2.921
  214   1HG2  THR  29          2HG2      THR  29   3.691   7.921   2.763
  215   2HG2  THR  29          3HG2      THR  29   4.671   9.150   1.928
  216   3HG2  THR  29          1HG2      THR  29   3.641   8.044   0.988
  217    H    LYS  30           H        LYS  30   7.178   5.115   2.887
  218    HA   LYS  30           HA       LYS  30   8.680   4.119   0.819
  219   1HB   LYS  30          1HB       LYS  30   9.189   4.697   3.360
  220   2HB   LYS  30          2HB       LYS  30   8.988   2.969   3.568
  221   1HG   LYS  30          1HG       LYS  30  10.792   2.447   2.107
  222   2HG   LYS  30          2HG       LYS  30  10.745   4.017   1.329
  223   1HD   LYS  30          1HD       LYS  30  11.679   5.117   3.283
  224   2HD   LYS  30          2HD       LYS  30  11.464   3.687   4.273
  225   1HE   LYS  30          1HE       LYS  30  13.451   2.813   3.593
  226   2HE   LYS  30          2HE       LYS  30  13.045   3.033   1.903
  227   1HZ   LYS  30          1HZ       LYS  30  13.948   5.241   3.610
  228   2HZ   LYS  30          2HZ       LYS  30  14.970   4.333   2.717
  229   3HZ   LYS  30          3HZ       LYS  30  13.822   5.233   1.982
  230    H    GLU  31           H        GLU  31   6.682   2.246   3.209
  231    HA   GLU  31           HA       GLU  31   7.158  -0.212   2.129
  232   1HB   GLU  31          1HB       GLU  31   4.636   0.841   3.484
  233   2HB   GLU  31          2HB       GLU  31   4.960  -0.858   3.201
  234   1HG   GLU  31          1HG       GLU  31   7.093  -0.642   4.534
  235   2HG   GLU  31          2HG       GLU  31   6.692   1.032   4.865
  236    H    LEU  32           H        LEU  32   5.346   2.457   0.815
  237    HA   LEU  32           HA       LEU  32   3.781   0.755  -0.931
  238   1HB   LEU  32          1HB       LEU  32   2.958   2.873   0.208
  239   2HB   LEU  32          2HB       LEU  32   3.957   3.764  -0.923
  240    HG   LEU  32           HG       LEU  32   2.540   2.142  -2.623
  241   1HD1  LEU  32          1HD1      LEU  32   1.011   2.383  -0.111
  242   2HD1  LEU  32          2HD1      LEU  32   0.115   2.806  -1.589
  243   3HD1  LEU  32          3HD1      LEU  32   0.877   1.205  -1.438
  244   1HD2  LEU  32          2HD2      LEU  32   2.524   4.953  -1.805
  245   2HD2  LEU  32          3HD2      LEU  32   2.485   4.224  -3.428
  246   3HD2  LEU  32          1HD2      LEU  32   0.978   4.408  -2.499
  247    H    GLY  33           H        GLY  33   6.554   3.053  -1.040
  248   1HA   GLY  33          1HA       GLY  33   6.885   2.785  -3.881
  249   2HA   GLY  33          2HA       GLY  33   7.951   3.589  -2.746
  250    H    THR  34           H        THR  34   7.584   0.777  -1.165
  251    HA   THR  34           HA       THR  34  10.084  -0.253  -2.073
  252    HB   THR  34           HB       THR  34   8.104  -0.680   0.118
  253    HG1  THR  34           HG1      THR  34  10.015   0.035   0.967
  254   1HG2  THR  34          2HG2      THR  34   9.821  -2.923  -1.034
  255   2HG2  THR  34          3HG2      THR  34   9.451  -2.843   0.706
  256   3HG2  THR  34          1HG2      THR  34   8.132  -3.007  -0.478
  257    H    VAL  35           H        VAL  35   6.844  -1.877  -1.863
  258    HA   VAL  35           HA       VAL  35   7.444  -4.051  -3.359
  259    HB   VAL  35           HB       VAL  35   4.994  -2.460  -2.814
  260   1HG1  VAL  35          3HG1      VAL  35   4.702  -2.994  -5.185
  261   2HG1  VAL  35          1HG1      VAL  35   5.055  -4.707  -4.857
  262   3HG1  VAL  35          2HG1      VAL  35   3.591  -3.954  -4.180
  263   1HG2  VAL  35          3HG2      VAL  35   6.060  -5.207  -2.231
  264   2HG2  VAL  35          1HG2      VAL  35   5.403  -3.979  -1.122
  265   3HG2  VAL  35          2HG2      VAL  35   4.305  -4.916  -2.163
  266    H    MET  36           H        MET  36   6.932  -0.704  -4.446
  267    HA   MET  36           HA       MET  36   6.520  -1.296  -7.131
  268   1HB   MET  36          1HB       MET  36   7.740   1.144  -5.724
  269   2HB   MET  36          2HB       MET  36   7.285   1.140  -7.417
  270   1HG   MET  36          1HG       MET  36   5.053   0.124  -5.868
  271   2HG   MET  36          2HG       MET  36   5.600   1.620  -5.137
  272   1HE   MET  36          3HE       MET  36   3.211   0.226  -7.211
  273   2HE   MET  36          1HE       MET  36   2.685   1.704  -6.370
  274   3HE   MET  36          2HE       MET  36   2.605   1.615  -8.146
  275    H    ARG  37           H        ARG  37   9.509  -0.601  -5.220
  276    HA   ARG  37           HA       ARG  37  11.176  -0.623  -7.458
  277   1HB   ARG  37          1HB       ARG  37  11.542  -0.758  -4.466
  278   2HB   ARG  37          2HB       ARG  37  12.911  -1.211  -5.461
  279   1HG   ARG  37          1HG       ARG  37  13.308   0.945  -6.108
  280   2HG   ARG  37          2HG       ARG  37  11.613   1.260  -6.420
  281   1HD   ARG  37          1HD       ARG  37  12.837   2.535  -4.448
  282   2HD   ARG  37          2HD       ARG  37  11.190   1.979  -4.226
  283    HE   ARG  37           HE       ARG  37  11.949   0.318  -2.725
  284   1HH1  ARG  37          2HH2      ARG  37  14.677   1.865  -4.322
  285   2HH1  ARG  37          1HH2      ARG  37  15.856   1.167  -3.262
  286   1HH2  ARG  37          2HH1      ARG  37  13.505  -0.602  -1.327
  287   2HH2  ARG  37          1HH1      ARG  37  15.185  -0.245  -1.548
  288    H    SER  38           H        SER  38   9.740  -3.119  -5.418
  289    HA   SER  38           HA       SER  38  11.637  -5.094  -6.279
  290   1HB   SER  38          1HB       SER  38  10.385  -6.623  -4.831
  291   2HB   SER  38          2HB       SER  38  10.717  -5.134  -3.969
  292    HG   SER  38           HG       SER  38   8.313  -4.972  -5.339
  293    H    LEU  39           H        LEU  39   9.225  -3.509  -7.824
  294    HA   LEU  39           HA       LEU  39   8.306  -5.933  -9.209
  295   1HB   LEU  39          1HB       LEU  39   6.616  -4.583  -7.858
  296   2HB   LEU  39          2HB       LEU  39   6.811  -3.322  -9.059
  297    HG   LEU  39           HG       LEU  39   6.263  -5.936 -10.263
  298   1HD1  LEU  39          3HD1      LEU  39   5.020  -6.275  -8.178
  299   2HD1  LEU  39          1HD1      LEU  39   4.149  -4.746  -8.446
  300   3HD1  LEU  39          2HD1      LEU  39   3.930  -6.105  -9.575
  301   1HD2  LEU  39          2HD2      LEU  39   5.908  -3.200 -10.844
  302   2HD2  LEU  39          3HD2      LEU  39   5.494  -4.603 -11.859
  303   3HD2  LEU  39          1HD2      LEU  39   4.279  -3.912 -10.757
  304    H    GLY  40           H        GLY  40   8.200  -2.400  -9.987
  305   1HA   GLY  40          1HA       GLY  40  10.335  -2.435 -11.820
  306   2HA   GLY  40          2HA       GLY  40   8.847  -2.766 -12.685
  307    H    GLN  41           H        GLN  41   9.093  -0.760  -9.711
  308    HA   GLN  41           HA       GLN  41   8.731   1.596 -11.366
  309   1HB   GLN  41          1HB       GLN  41   6.807   0.486  -9.355
  310   2HB   GLN  41          2HB       GLN  41   7.044   2.222  -9.327
  311   1HG   GLN  41          1HG       GLN  41   6.698   2.106 -11.925
  312   2HG   GLN  41          2HG       GLN  41   6.052   0.504 -11.630
  313   1HE2  GLN  41          2HE2      GLN  41   3.020   1.505 -10.207
  314   2HE2  GLN  41          1HE2      GLN  41   4.143   0.224 -10.519
  315    H    ASN  42           H        ASN  42   8.528   3.569  -9.470
  316    HA   ASN  42           HA       ASN  42  10.002   3.243  -7.186
  317   1HB   ASN  42          1HB       ASN  42  11.801   2.881  -9.128
  318   2HB   ASN  42          2HB       ASN  42  11.738   4.627  -9.261
  319   1HD2  ASN  42          2HD2      ASN  42  14.449   4.356  -6.980
  320   2HD2  ASN  42          1HD2      ASN  42  14.009   4.392  -8.655
  321    HA   PRO  43           HA       PRO  43   7.974   7.254  -8.201
  322   1HB   PRO  43          1HB       PRO  43   5.875   7.111  -6.456
  323   2HB   PRO  43          2HB       PRO  43   5.755   6.639  -8.140
  324   1HG   PRO  43          1HG       PRO  43   5.906   4.920  -5.739
  325   2HG   PRO  43          2HG       PRO  43   5.368   4.505  -7.355
  326   1HD   PRO  43          1HD       PRO  43   7.891   3.840  -6.162
  327   2HD   PRO  43          2HD       PRO  43   7.398   3.527  -7.814
  328    H    THR  44           H        THR  44   8.282   9.240  -7.238
  329    HA   THR  44           HA       THR  44  10.023   9.119  -4.986
  330    HB   THR  44           HB       THR  44   9.820  11.663  -5.254
  331    HG1  THR  44           HG1      THR  44   8.264  12.326  -6.751
  332   1HG2  THR  44          1HG2      THR  44  11.370  10.136  -6.731
  333   2HG2  THR  44          2HG2      THR  44  10.129  10.355  -7.988
  334   3HG2  THR  44          3HG2      THR  44  10.994  11.767  -7.335
  335    H    GLU  45           H        GLU  45   9.672  10.411  -2.967
  336    HA   GLU  45           HA       GLU  45   7.527   9.379  -1.617
  337   1HB   GLU  45          1HB       GLU  45   9.630  11.411  -1.110
  338   2HB   GLU  45          2HB       GLU  45   8.186  11.628  -0.141
  339   1HG   GLU  45          1HG       GLU  45   8.328   9.178   0.518
  340   2HG   GLU  45          2HG       GLU  45   9.848   9.073  -0.348
  341    H    ALA  46           H        ALA  46   7.669  12.048  -3.833
  342    HA   ALA  46           HA       ALA  46   5.440  13.469  -2.721
  343   1HB   ALA  46          3HB       ALA  46   7.479  14.265  -4.221
  344   2HB   ALA  46          1HB       ALA  46   6.401  13.789  -5.554
  345   3HB   ALA  46          2HB       ALA  46   5.879  15.026  -4.385
  346    H    GLU  47           H        GLU  47   6.058  11.203  -5.473
  347    HA   GLU  47           HA       GLU  47   3.494  11.311  -6.492
  348   1HB   GLU  47          1HB       GLU  47   5.386  10.360  -7.734
  349   2HB   GLU  47          2HB       GLU  47   5.562   9.071  -6.560
  350   1HG   GLU  47          1HG       GLU  47   4.148   7.838  -7.836
  351   2HG   GLU  47          2HG       GLU  47   2.858   8.901  -7.309
  352    H    LEU  48           H        LEU  48   4.986   8.729  -4.396
  353    HA   LEU  48           HA       LEU  48   2.835   7.180  -3.963
  354   1HB   LEU  48          1HB       LEU  48   4.875   8.031  -1.903
  355   2HB   LEU  48          2HB       LEU  48   3.832   6.628  -1.787
  356    HG   LEU  48           HG       LEU  48   5.654   6.905  -4.157
  357   1HD1  LEU  48          1HD1      LEU  48   6.851   7.303  -1.859
  358   2HD1  LEU  48          2HD1      LEU  48   6.664   5.541  -1.687
  359   3HD1  LEU  48          3HD1      LEU  48   7.559   6.210  -3.073
  360   1HD2  LEU  48          2HD2      LEU  48   4.397   4.614  -2.644
  361   2HD2  LEU  48          3HD2      LEU  48   4.156   5.097  -4.341
  362   3HD2  LEU  48          1HD2      LEU  48   5.704   4.382  -3.830
  363    H    GLN  49           H        GLN  49   3.690  10.081  -1.943
  364    HA   GLN  49           HA       GLN  49   1.688  10.110  -0.232
  365   1HB   GLN  49          1HB       GLN  49   3.540  11.959  -1.098
  366   2HB   GLN  49          2HB       GLN  49   2.047  12.751  -1.558
  367   1HG   GLN  49          1HG       GLN  49   2.339  13.502   0.654
  368   2HG   GLN  49          2HG       GLN  49   1.230  12.162   0.867
  369   1HE2  GLN  49          2HE2      GLN  49   3.270  10.671   3.216
  370   2HE2  GLN  49          1HE2      GLN  49   1.703  11.176   2.676
  371    H    ASP  50           H        ASP  50   1.449  11.099  -3.695
  372    HA   ASP  50           HA       ASP  50  -1.205  11.948  -3.486
  373   1HB   ASP  50          1HB       ASP  50   0.813  11.925  -5.443
  374   2HB   ASP  50          2HB       ASP  50  -0.409  10.864  -6.117
  375    H    MET  51           H        MET  51   0.449   8.885  -4.491
  376    HA   MET  51           HA       MET  51  -1.822   7.557  -5.345
  377   1HB   MET  51          1HB       MET  51   0.740   6.453  -4.062
  378   2HB   MET  51          2HB       MET  51  -0.381   5.508  -5.022
  379   1HG   MET  51          1HG       MET  51   0.143   6.718  -7.035
  380   2HG   MET  51          2HG       MET  51   0.916   8.019  -6.152
  381   1HE   MET  51          3HE       MET  51   2.186   6.961  -8.504
  382   2HE   MET  51          1HE       MET  51   3.525   5.801  -8.325
  383   3HE   MET  51          2HE       MET  51   1.849   5.214  -8.451
  384    H    ILE  52           H        ILE  52  -0.325   7.920  -2.101
  385    HA   ILE  52           HA       ILE  52  -1.890   5.952  -0.841
  386    HB   ILE  52           HB       ILE  52  -0.318   8.325   0.134
  387   1HG1  ILE  52          1HG1      ILE  52   0.185   5.425  -0.282
  388   2HG1  ILE  52          2HG1      ILE  52   1.258   6.797  -0.476
  389   1HG2  ILE  52          2HG2      ILE  52  -2.435   7.391   1.545
  390   2HG2  ILE  52          3HG2      ILE  52  -1.152   6.299   2.118
  391   3HG2  ILE  52          1HG2      ILE  52  -0.957   8.061   2.276
  392   1HD1  ILE  52          3HD1      ILE  52   1.016   6.988   2.170
  393   2HD1  ILE  52          1HD1      ILE  52   0.554   5.274   2.032
  394   3HD1  ILE  52          2HD1      ILE  52   2.146   5.816   1.449
  395    H    ASN  53           H        ASN  53  -2.229   9.550  -1.135
  396    HA   ASN  53           HA       ASN  53  -4.561   9.689   0.332
  397   1HB   ASN  53          1HB       ASN  53  -3.276  11.415  -1.811
  398   2HB   ASN  53          2HB       ASN  53  -4.885  11.826  -1.250
  399   1HD2  ASN  53          2HD2      ASN  53  -1.808  13.201   0.753
  400   2HD2  ASN  53          1HD2      ASN  53  -1.925  12.785  -0.925
  401    H    GLU  54           H        GLU  54  -3.863   9.144  -3.167
  402    HA   GLU  54           HA       GLU  54  -6.210   9.512  -4.338
  403   1HB   GLU  54          1HB       GLU  54  -4.033   7.482  -4.708
  404   2HB   GLU  54          2HB       GLU  54  -5.522   7.207  -5.590
  405   1HG   GLU  54          1HG       GLU  54  -5.127   9.911  -6.039
  406   2HG   GLU  54          2HG       GLU  54  -3.473   9.337  -5.953
  407    H    VAL  55           H        VAL  55  -5.384   6.899  -2.055
  408    HA   VAL  55           HA       VAL  55  -8.125   5.884  -2.351
  409    HB   VAL  55           HB       VAL  55  -6.882   3.933  -1.005
  410   1HG1  VAL  55          1HG1      VAL  55  -8.163   3.800  -3.156
  411   2HG1  VAL  55          2HG1      VAL  55  -6.664   4.218  -4.019
  412   3HG1  VAL  55          3HG1      VAL  55  -6.757   2.711  -3.075
  413   1HG2  VAL  55          3HG2      VAL  55  -4.712   5.158  -1.018
  414   2HG2  VAL  55          1HG2      VAL  55  -4.628   3.567  -1.812
  415   3HG2  VAL  55          2HG2      VAL  55  -4.697   5.049  -2.794
  416    H    ASP  56           H        ASP  56  -5.472   6.624   0.005
  417    HA   ASP  56           HA       ASP  56  -7.023   6.256   2.253
  418   1HB   ASP  56          1HB       ASP  56  -4.642   6.412   2.499
  419   2HB   ASP  56          2HB       ASP  56  -4.568   7.938   1.642
  420    H    ALA  57           H        ALA  57  -9.071   7.324   2.192
  421    HA   ALA  57           HA       ALA  57  -9.121  10.145   1.500
  422   1HB   ALA  57          3HB       ALA  57 -11.096   7.910   1.801
  423   2HB   ALA  57          1HB       ALA  57 -11.675   9.570   2.074
  424   3HB   ALA  57          2HB       ALA  57 -10.940   9.129   0.514
  425    H    ASP  58           H        ASP  58  -8.526   8.211   4.225
  426    HA   ASP  58           HA       ASP  58  -9.973   9.756   6.098
  427   1HB   ASP  58          1HB       ASP  58  -8.682   8.475   7.778
  428   2HB   ASP  58          2HB       ASP  58  -9.341   7.412   6.551
  429    H    GLY  59           H        GLY  59  -6.826   9.854   4.477
  430   1HA   GLY  59          1HA       GLY  59  -5.070  11.252   4.595
  431   2HA   GLY  59          2HA       GLY  59  -6.215  12.464   5.136
  432    H    ASN  60           H        ASN  60  -5.379   9.388   6.828
  433    HA   ASN  60           HA       ASN  60  -4.554  11.037   9.067
  434   1HB   ASN  60          1HB       ASN  60  -5.235   9.274  10.471
  435   2HB   ASN  60          2HB       ASN  60  -6.346   9.065   9.132
  436   1HD2  ASN  60          2HD2      ASN  60  -4.542   5.867  10.185
  437   2HD2  ASN  60          1HD2      ASN  60  -5.281   7.152  11.081
  438    H    GLY  61           H        GLY  61  -3.280   9.388   6.413
  439   1HA   GLY  61          1HA       GLY  61  -0.984   9.240   6.010
  440   2HA   GLY  61          2HA       GLY  61  -0.676   9.081   7.728
  441    H    THR  62           H        THR  62   0.061   7.360   5.290
  442    HA   THR  62           HA       THR  62   0.349   5.198   4.860
  443    HB   THR  62           HB       THR  62   0.671   3.839   6.730
  444    HG1  THR  62           HG1      THR  62  -1.695   5.165   7.849
  445   1HG2  THR  62          1HG2      THR  62   1.240   6.411   7.342
  446   2HG2  THR  62          2HG2      THR  62  -0.101   6.170   8.486
  447   3HG2  THR  62          3HG2      THR  62   1.338   5.126   8.570
  448    H    ILE  63           H        ILE  63  -0.867   2.975   4.711
  449    HA   ILE  63           HA       ILE  63  -3.696   3.587   4.214
  450    HB   ILE  63           HB       ILE  63  -1.804   1.994   2.482
  451   1HG1  ILE  63          1HG1      ILE  63  -2.247   4.752   2.575
  452   2HG1  ILE  63          2HG1      ILE  63  -1.458   3.845   1.300
  453   1HG2  ILE  63          3HG2      ILE  63  -4.105   1.029   2.653
  454   2HG2  ILE  63          1HG2      ILE  63  -4.739   2.561   2.005
  455   3HG2  ILE  63          2HG2      ILE  63  -3.645   1.562   1.018
  456   1HD1  ILE  63          3HD1      ILE  63  -3.688   3.460   0.212
  457   2HD1  ILE  63          1HD1      ILE  63  -4.444   4.457   1.479
  458   3HD1  ILE  63          2HD1      ILE  63  -3.280   5.187   0.348
  459    H    ASP  64           H        ASP  64  -5.170   2.100   4.968
  460    HA   ASP  64           HA       ASP  64  -3.975  -0.083   6.459
  461   1HB   ASP  64          1HB       ASP  64  -6.772   1.144   6.561
  462   2HB   ASP  64          2HB       ASP  64  -6.245  -0.189   7.569
  463    H    PHE  65           H        PHE  65  -6.114  -1.872   6.646
  464    HA   PHE  65           HA       PHE  65  -6.070  -3.120   4.133
  465   1HB   PHE  65          1HB       PHE  65  -6.366  -4.046   6.566
  466   2HB   PHE  65          2HB       PHE  65  -8.029  -3.503   6.470
  467    HD1  PHE  65           HD1      PHE  65  -6.029  -5.079   3.766
  468    HD2  PHE  65           HD2      PHE  65  -9.205  -5.526   6.544
  469    HE1  PHE  65           HE1      PHE  65  -6.675  -7.248   2.679
  470    HE2  PHE  65           HE2      PHE  65  -9.851  -7.694   5.458
  471    HZ   PHE  65           HZ       PHE  65  -8.578  -8.529   3.538
  472    HA   PRO  66           HA       PRO  66 -10.532  -1.518   3.894
  473   1HB   PRO  66          1HB       PRO  66 -11.316   0.519   5.539
  474   2HB   PRO  66          2HB       PRO  66 -11.633  -1.169   5.886
  475   1HG   PRO  66          1HG       PRO  66  -9.635   0.631   7.112
  476   2HG   PRO  66          2HG       PRO  66 -10.254  -0.894   7.714
  477   1HD   PRO  66          1HD       PRO  66  -7.705  -0.445   6.478
  478   2HD   PRO  66          2HD       PRO  66  -8.373  -1.988   6.974
  479    H    GLU  67           H        GLU  67  -7.741   0.281   4.070
  480    HA   GLU  67           HA       GLU  67  -8.927   2.361   2.429
  481   1HB   GLU  67          1HB       GLU  67  -6.072   2.352   3.453
  482   2HB   GLU  67          2HB       GLU  67  -7.054   3.726   2.985
  483   1HG   GLU  67          1HG       GLU  67  -8.005   1.980   5.264
  484   2HG   GLU  67          2HG       GLU  67  -6.696   3.106   5.561
  485    H    PHE  68           H        PHE  68  -6.774  -0.434   2.390
  486    HA   PHE  68           HA       PHE  68  -5.755   0.283  -0.234
  487   1HB   PHE  68          1HB       PHE  68  -4.043  -0.728   1.035
  488   2HB   PHE  68          2HB       PHE  68  -5.181  -1.614   2.031
  489    HD1  PHE  68           HD1      PHE  68  -6.351  -3.644   0.944
  490    HD2  PHE  68           HD2      PHE  68  -2.866  -1.824  -0.653
  491    HE1  PHE  68           HE1      PHE  68  -5.850  -5.737  -0.347
  492    HE2  PHE  68           HE2      PHE  68  -2.365  -3.918  -1.944
  493    HZ   PHE  68           HZ       PHE  68  -3.863  -5.849  -1.776
  494    H    LEU  69           H        LEU  69  -8.099  -1.857   1.367
  495    HA   LEU  69           HA       LEU  69  -8.428  -3.837  -0.455
  496   1HB   LEU  69          1HB       LEU  69 -10.241  -2.389   1.413
  497   2HB   LEU  69          2HB       LEU  69 -10.968  -3.469   0.240
  498    HG   LEU  69           HG       LEU  69  -8.734  -4.376   2.059
  499   1HD1  LEU  69          3HD1      LEU  69 -11.676  -4.146   2.653
  500   2HD1  LEU  69          1HD1      LEU  69 -10.674  -5.405   3.415
  501   3HD1  LEU  69          2HD1      LEU  69 -10.279  -3.686   3.656
  502   1HD2  LEU  69          1HD2      LEU  69  -9.388  -5.685  -0.017
  503   2HD2  LEU  69          2HD2      LEU  69  -9.414  -6.571   1.526
  504   3HD2  LEU  69          3HD2      LEU  69 -10.937  -6.011   0.796
  505    H    THR  70           H        THR  70  -9.302  -0.400  -0.741
  506    HA   THR  70           HA       THR  70 -10.960  -0.741  -3.026
  507    HB   THR  70           HB       THR  70 -11.298   1.232  -1.723
  508    HG1  THR  70           HG1      THR  70 -11.258   2.228  -3.702
  509   1HG2  THR  70          1HG2      THR  70  -8.261   1.445  -1.813
  510   2HG2  THR  70          2HG2      THR  70  -9.264   2.886  -1.525
  511   3HG2  THR  70          3HG2      THR  70  -9.331   1.515  -0.392
  512    H    MET  71           H        MET  71  -7.460  -0.183  -2.506
  513    HA   MET  71           HA       MET  71  -6.783   0.537  -5.039
  514   1HB   MET  71          1HB       MET  71  -5.494  -0.300  -2.639
  515   2HB   MET  71          2HB       MET  71  -4.880  -1.390  -3.866
  516   1HG   MET  71          1HG       MET  71  -4.875   1.219  -5.047
  517   2HG   MET  71          2HG       MET  71  -4.226   1.414  -3.431
  518   1HE   MET  71          3HE       MET  71  -3.540   1.188  -6.687
  519   2HE   MET  71          1HE       MET  71  -1.967   0.390  -6.923
  520   3HE   MET  71          2HE       MET  71  -3.468  -0.564  -6.995
  521    H    MET  72           H        MET  72  -6.961  -2.824  -3.665
  522    HA   MET  72           HA       MET  72  -6.215  -4.115  -5.972
  523   1HB   MET  72          1HB       MET  72  -8.088  -4.938  -3.687
  524   2HB   MET  72          2HB       MET  72  -7.507  -6.071  -4.891
  525   1HG   MET  72          1HG       MET  72  -5.275  -4.529  -3.786
  526   2HG   MET  72          2HG       MET  72  -6.187  -5.290  -2.498
  527   1HE   MET  72          3HE       MET  72  -3.306  -5.520  -3.744
  528   2HE   MET  72          1HE       MET  72  -2.873  -7.191  -4.180
  529   3HE   MET  72          2HE       MET  72  -3.525  -6.088  -5.416
  530    H    ALA  73           H        ALA  73  -9.478  -3.093  -4.808
  531    HA   ALA  73           HA       ALA  73 -11.016  -4.367  -6.701
  532   1HB   ALA  73          2HB       ALA  73 -11.892  -3.199  -4.722
  533   2HB   ALA  73          3HB       ALA  73 -11.390  -1.635  -5.408
  534   3HB   ALA  73          1HB       ALA  73 -12.668  -2.587  -6.202
  535    H    ARG  74           H        ARG  74  -9.337  -1.163  -6.857
  536    HA   ARG  74           HA       ARG  74  -9.938  -1.193  -9.703
  537   1HB   ARG  74          1HB       ARG  74  -9.170   1.357  -9.365
  538   2HB   ARG  74          2HB       ARG  74 -10.811   0.856  -9.010
  539   1HG   ARG  74          1HG       ARG  74 -10.342   0.683  -6.633
  540   2HG   ARG  74          2HG       ARG  74  -8.616   0.840  -6.894
  541   1HD   ARG  74          1HD       ARG  74 -10.436   3.065  -7.847
  542   2HD   ARG  74          2HD       ARG  74 -10.077   2.946  -6.136
  543    HE   ARG  74           HE       ARG  74  -7.676   2.766  -7.791
  544   1HH1  ARG  74          2HH2      ARG  74  -9.936   4.992  -6.267
  545   2HH1  ARG  74          1HH2      ARG  74  -8.803   6.302  -6.207
  546   1HH2  ARG  74          2HH1      ARG  74  -6.182   4.493  -7.711
  547   2HH2  ARG  74          1HH1      ARG  74  -6.654   6.015  -7.033
  548    H    LYS  75           H        LYS  75  -7.973  -2.843  -9.493
  549    HA   LYS  75           HA       LYS  75  -5.450  -2.148  -8.814
  550   1HB   LYS  75          1HB       LYS  75  -6.700  -4.058 -10.678
  551   2HB   LYS  75          2HB       LYS  75  -5.046  -3.647 -11.084
  552   1HG   LYS  75          1HG       LYS  75  -4.206  -4.403  -8.982
  553   2HG   LYS  75          2HG       LYS  75  -5.784  -4.340  -8.222
  554   1HD   LYS  75          1HD       LYS  75  -5.160  -6.682  -8.682
  555   2HD   LYS  75          2HD       LYS  75  -6.563  -6.236  -9.632
  556   1HE   LYS  75          1HE       LYS  75  -5.453  -6.497 -11.616
  557   2HE   LYS  75          2HE       LYS  75  -4.031  -5.650 -11.038
  558   1HZ   LYS  75          3HZ       LYS  75  -4.313  -8.130  -9.739
  559   2HZ   LYS  75          1HZ       LYS  75  -4.302  -8.339 -11.358
  560   3HZ   LYS  75          2HZ       LYS  75  -3.062  -7.569 -10.626
   
  No H/Q in entry =         560
  Start of MODEL   15
    1    H    MET   0           H        MET   0 -25.441  -8.654   7.221
    2    HA   MET   0           HA       MET   0 -25.136  -7.938   9.252
    3   1HB   MET   0          1HB       MET   0 -24.463 -10.571   9.290
    4   2HB   MET   0          2HB       MET   0 -22.905  -9.922   9.763
    5   1HG   MET   0          1HG       MET   0 -25.199  -8.712  11.222
    6   2HG   MET   0          2HG       MET   0 -25.009 -10.431  11.504
    7   1HE   MET   0          2HE       MET   0 -23.149 -11.571  12.055
    8   2HE   MET   0          3HE       MET   0 -21.594 -10.986  12.692
    9   3HE   MET   0          1HE       MET   0 -23.018 -11.066  13.756
   10    H    ALA   1           H        ALA   1 -23.199  -7.063   6.993
   11    HA   ALA   1           HA       ALA   1 -21.815  -5.151   8.408
   12   1HB   ALA   1          3HB       ALA   1 -20.545  -7.752   8.519
   13   2HB   ALA   1          1HB       ALA   1 -19.521  -6.614   7.610
   14   3HB   ALA   1          2HB       ALA   1 -20.036  -6.219   9.268
   15    H    ASP   2           H        ASP   2 -20.140  -4.034   6.936
   16    HA   ASP   2           HA       ASP   2 -21.258  -4.103   4.300
   17   1HB   ASP   2          1HB       ASP   2 -19.473  -2.275   5.885
   18   2HB   ASP   2          2HB       ASP   2 -19.307  -2.214   4.142
   19    H    GLN   3           H        GLN   3 -19.560  -3.871   2.393
   20    HA   GLN   3           HA       GLN   3 -17.782  -4.519   1.295
   21   1HB   GLN   3          1HB       GLN   3 -16.543  -4.021   3.552
   22   2HB   GLN   3          2HB       GLN   3 -16.510  -5.762   3.752
   23   1HG   GLN   3          1HG       GLN   3 -14.806  -5.971   2.268
   24   2HG   GLN   3          2HG       GLN   3 -15.694  -5.091   1.040
   25   1HE2  GLN   3          2HE2      GLN   3 -13.278  -2.604   1.159
   26   2HE2  GLN   3          1HE2      GLN   3 -14.118  -3.828   0.266
   27    H    LEU   4           H        LEU   4 -16.850  -6.569   0.366
   28    HA   LEU   4           HA       LEU   4 -18.769  -8.535   0.159
   29   1HB   LEU   4          1HB       LEU   4 -16.750  -9.891  -0.731
   30   2HB   LEU   4          2HB       LEU   4 -17.325  -8.479  -1.597
   31    HG   LEU   4           HG       LEU   4 -15.284  -7.716   0.312
   32   1HD1  LEU   4          1HD1      LEU   4 -14.620  -9.987  -1.566
   33   2HD1  LEU   4          2HD1      LEU   4 -13.391  -8.861  -0.941
   34   3HD1  LEU   4          3HD1      LEU   4 -14.330  -9.869   0.186
   35   1HD2  LEU   4          3HD2      LEU   4 -16.185  -6.596  -1.853
   36   2HD2  LEU   4          1HD2      LEU   4 -14.457  -6.462  -1.450
   37   3HD2  LEU   4          2HD2      LEU   4 -14.996  -7.632  -2.678
   38    H    THR   5           H        THR   5 -17.657 -11.039   0.524
   39    HA   THR   5           HA       THR   5 -17.959 -11.321   3.365
   40    HB   THR   5           HB       THR   5 -17.554 -13.810   2.585
   41    HG1  THR   5           HG1      THR   5 -17.215 -13.935   0.385
   42   1HG2  THR   5          3HG2      THR   5 -19.831 -12.006   1.681
   43   2HG2  THR   5          1HG2      THR   5 -19.791 -13.714   1.181
   44   3HG2  THR   5          2HG2      THR   5 -19.856 -13.295   2.909
   45    H    GLU   6           H        GLU   6 -16.459 -12.443   4.783
   46    HA   GLU   6           HA       GLU   6 -13.939 -11.299   4.617
   47   1HB   GLU   6          1HB       GLU   6 -14.864 -13.672   6.297
   48   2HB   GLU   6          2HB       GLU   6 -13.413 -12.733   6.588
   49   1HG   GLU   6          1HG       GLU   6 -14.826 -10.670   6.867
   50   2HG   GLU   6          2HG       GLU   6 -16.266 -11.638   6.624
   51    H    GLU   7           H        GLU   7 -15.065 -14.707   4.075
   52    HA   GLU   7           HA       GLU   7 -12.787 -15.978   3.663
   53   1HB   GLU   7          1HB       GLU   7 -15.308 -16.139   1.957
   54   2HB   GLU   7          2HB       GLU   7 -14.018 -17.324   1.884
   55   1HG   GLU   7          1HG       GLU   7 -14.842 -16.784   4.660
   56   2HG   GLU   7          2HG       GLU   7 -16.189 -17.325   3.679
   57    H    GLN   8           H        GLN   8 -14.276 -13.591   1.442
   58    HA   GLN   8           HA       GLN   8 -12.402 -14.111  -0.617
   59   1HB   GLN   8          1HB       GLN   8 -14.712 -12.304  -0.159
   60   2HB   GLN   8          2HB       GLN   8 -13.462 -11.614  -1.175
   61   1HG   GLN   8          1HG       GLN   8 -15.182 -12.880  -2.491
   62   2HG   GLN   8          2HG       GLN   8 -13.563 -13.512  -2.716
   63   1HE2  GLN   8          2HE2      GLN   8 -16.380 -16.051  -1.813
   64   2HE2  GLN   8          1HE2      GLN   8 -16.462 -14.571  -2.708
   65    H    ILE   9           H        ILE   9 -12.896 -11.473   1.825
   66    HA   ILE   9           HA       ILE   9 -10.768  -9.889   1.080
   67    HB   ILE   9           HB       ILE   9 -12.724  -9.766   2.922
   68   1HG1  ILE   9          1HG1      ILE   9 -11.078  -7.796   3.832
   69   2HG1  ILE   9          2HG1      ILE   9 -10.313  -8.163   2.299
   70   1HG2  ILE   9          2HG2      ILE   9 -11.438 -11.331   4.413
   71   2HG2  ILE   9          3HG2      ILE   9 -10.216 -10.049   4.590
   72   3HG2  ILE   9          1HG2      ILE   9 -11.883  -9.772   5.149
   73   1HD1  ILE   9          1HD1      ILE   9 -13.319  -7.742   2.513
   74   2HD1  ILE   9          2HD1      ILE   9 -12.189  -6.389   2.268
   75   3HD1  ILE   9          3HD1      ILE   9 -12.302  -7.685   1.053
   76    H    ALA  10           H        ALA  10 -10.879 -12.778   3.233
   77    HA   ALA  10           HA       ALA  10  -8.427 -12.739   4.339
   78   1HB   ALA  10          3HB       ALA  10 -10.064 -14.997   3.150
   79   2HB   ALA  10          1HB       ALA  10  -8.542 -15.298   4.023
   80   3HB   ALA  10          2HB       ALA  10  -9.907 -14.517   4.857
   81    H    GLU  11           H        GLU  11  -9.261 -13.524   0.929
   82    HA   GLU  11           HA       GLU  11  -6.703 -14.390   0.247
   83   1HB   GLU  11          1HB       GLU  11  -8.953 -13.225  -1.449
   84   2HB   GLU  11          2HB       GLU  11  -7.505 -13.946  -2.123
   85   1HG   GLU  11          1HG       GLU  11  -8.028 -16.083  -0.887
   86   2HG   GLU  11          2HG       GLU  11  -9.510 -15.356  -0.298
   87    H    PHE  12           H        PHE  12  -8.315 -11.173   0.214
   88    HA   PHE  12           HA       PHE  12  -6.259  -9.843  -1.159
   89   1HB   PHE  12          1HB       PHE  12  -8.497  -9.107   0.801
   90   2HB   PHE  12          2HB       PHE  12  -7.439  -7.862   0.167
   91    HD1  PHE  12           HD1      PHE  12  -9.886 -10.459  -0.823
   92    HD2  PHE  12           HD2      PHE  12  -7.783  -6.962  -1.986
   93    HE1  PHE  12           HE1      PHE  12 -11.335 -10.266  -2.863
   94    HE2  PHE  12           HE2      PHE  12  -9.232  -6.769  -4.027
   95    HZ   PHE  12           HZ       PHE  12 -10.991  -8.424  -4.441
   96    H    LYS  13           H        LYS  13  -6.832 -10.625   2.292
   97    HA   LYS  13           HA       LYS  13  -5.242  -8.925   3.604
   98   1HB   LYS  13          1HB       LYS  13  -5.598 -11.905   3.955
   99   2HB   LYS  13          2HB       LYS  13  -4.662 -10.943   5.082
  100   1HG   LYS  13          1HG       LYS  13  -6.817  -9.368   5.064
  101   2HG   LYS  13          2HG       LYS  13  -7.625 -10.811   4.484
  102   1HD   LYS  13          1HD       LYS  13  -5.948 -11.606   6.683
  103   2HD   LYS  13          2HD       LYS  13  -6.811 -10.166   7.186
  104   1HE   LYS  13          1HE       LYS  13  -8.933 -11.366   6.175
  105   2HE   LYS  13          2HE       LYS  13  -7.961 -12.821   6.264
  106   1HZ   LYS  13          2HZ       LYS  13  -7.565 -12.174   8.638
  107   2HZ   LYS  13          3HZ       LYS  13  -8.760 -11.073   8.473
  108   3HZ   LYS  13          1HZ       LYS  13  -9.081 -12.663   8.278
  109    H    GLU  14           H        GLU  14  -4.028 -11.976   2.038
  110    HA   GLU  14           HA       GLU  14  -1.398 -11.575   2.549
  111   1HB   GLU  14          1HB       GLU  14  -2.706 -12.827   0.096
  112   2HB   GLU  14          2HB       GLU  14  -1.004 -12.989   0.479
  113   1HG   GLU  14          1HG       GLU  14  -2.037 -13.744   2.878
  114   2HG   GLU  14          2HG       GLU  14  -3.387 -14.195   1.856
  115    H    ALA  15           H        ALA  15  -3.412 -10.225  -0.113
  116    HA   ALA  15           HA       ALA  15  -1.383  -9.141  -1.647
  117   1HB   ALA  15          1HB       ALA  15  -4.055  -9.314  -1.857
  118   2HB   ALA  15          2HB       ALA  15  -3.943  -7.628  -1.299
  119   3HB   ALA  15          3HB       ALA  15  -3.107  -8.131  -2.788
  120    H    PHE  16           H        PHE  16  -3.313  -7.597   1.020
  121    HA   PHE  16           HA       PHE  16  -2.030  -5.174   1.011
  122   1HB   PHE  16          1HB       PHE  16  -4.091  -6.045   2.326
  123   2HB   PHE  16          2HB       PHE  16  -2.975  -6.829   3.427
  124    HD1  PHE  16           HD2      PHE  16  -3.561  -3.439   1.964
  125    HD2  PHE  16           HD1      PHE  16  -2.446  -5.713   5.369
  126    HE1  PHE  16           HE2      PHE  16  -3.423  -1.334   3.325
  127    HE2  PHE  16           HE1      PHE  16  -2.308  -3.608   6.729
  128    HZ   PHE  16           HZ       PHE  16  -2.798  -1.444   5.691
  129    H    SER  17           H        SER  17  -0.966  -8.314   2.317
  130    HA   SER  17           HA       SER  17   0.961  -7.355   4.047
  131   1HB   SER  17          1HB       SER  17   1.403  -9.904   2.493
  132   2HB   SER  17          2HB       SER  17   1.699  -9.583   4.190
  133    HG   SER  17           HG       SER  17  -0.376 -10.003   4.692
  134    H    LEU  18           H        LEU  18   1.173  -8.387   0.570
  135    HA   LEU  18           HA       LEU  18   3.791  -8.178   0.077
  136   1HB   LEU  18          1HB       LEU  18   1.331  -7.833  -1.432
  137   2HB   LEU  18          2HB       LEU  18   2.634  -6.860  -2.086
  138    HG   LEU  18           HG       LEU  18   3.942  -9.211  -1.780
  139   1HD1  LEU  18          1HD1      LEU  18   1.032  -9.858  -1.896
  140   2HD1  LEU  18          2HD1      LEU  18   2.156 -10.860  -2.846
  141   3HD1  LEU  18          3HD1      LEU  18   2.369 -10.707  -1.085
  142   1HD2  LEU  18          3HD2      LEU  18   3.493  -7.636  -3.818
  143   2HD2  LEU  18          1HD2      LEU  18   3.970  -9.331  -4.082
  144   3HD2  LEU  18          2HD2      LEU  18   2.263  -8.851  -4.241
  145    H    PHE  19           H        PHE  19   1.529  -5.336  -0.142
  146    HA   PHE  19           HA       PHE  19   3.611  -3.483  -0.397
  147   1HB   PHE  19          1HB       PHE  19   0.678  -3.453   0.490
  148   2HB   PHE  19          2HB       PHE  19   1.600  -1.963   0.456
  149    HD1  PHE  19           HD1      PHE  19   2.662  -1.276  -1.772
  150    HD2  PHE  19           HD2      PHE  19  -0.330  -4.268  -1.459
  151    HE1  PHE  19           HE1      PHE  19   2.138  -1.007  -4.212
  152    HE2  PHE  19           HE2      PHE  19  -0.855  -3.999  -3.899
  153    HZ   PHE  19           HZ       PHE  19   0.386  -2.372  -5.246
  154    H    ASP  20           H        ASP  20   1.678  -4.611   2.449
  155    HA   ASP  20           HA       ASP  20   3.011  -2.832   4.189
  156   1HB   ASP  20          1HB       ASP  20   0.825  -3.509   4.855
  157   2HB   ASP  20          2HB       ASP  20   1.145  -5.199   4.519
  158    H    LYS  21           H        LYS  21   5.307  -3.374   3.806
  159    HA   LYS  21           HA       LYS  21   6.099  -6.087   4.509
  160   1HB   LYS  21          1HB       LYS  21   6.917  -4.523   2.481
  161   2HB   LYS  21          2HB       LYS  21   8.087  -4.025   3.687
  162   1HG   LYS  21          1HG       LYS  21   7.601  -6.977   3.448
  163   2HG   LYS  21          2HG       LYS  21   8.424  -6.216   2.102
  164   1HD   LYS  21          1HD       LYS  21  10.354  -6.003   3.286
  165   2HD   LYS  21          2HD       LYS  21   9.524  -5.251   4.634
  166   1HE   LYS  21          1HE       LYS  21   9.996  -7.164   5.784
  167   2HE   LYS  21          2HE       LYS  21   8.688  -7.890   4.871
  168   1HZ   LYS  21          2HZ       LYS  21  11.348  -7.779   3.692
  169   2HZ   LYS  21          3HZ       LYS  21  11.017  -8.924   4.808
  170   3HZ   LYS  21          1HZ       LYS  21  10.148  -8.855   3.427
  171    H    ASP  22           H        ASP  22   4.975  -4.005   6.438
  172    HA   ASP  22           HA       ASP  22   7.337  -3.848   8.140
  173   1HB   ASP  22          1HB       ASP  22   6.616  -1.801   8.922
  174   2HB   ASP  22          2HB       ASP  22   5.842  -1.748   7.351
  175    H    GLY  23           H        GLY  23   4.267  -5.311   7.550
  176   1HA   GLY  23          1HA       GLY  23   2.871  -6.598   8.756
  177   2HA   GLY  23          2HA       GLY  23   4.296  -7.060   9.665
  178    H    ASP  24           H        ASP  24   1.664  -4.606   9.444
  179    HA   ASP  24           HA       ASP  24   1.721  -4.485  12.325
  180   1HB   ASP  24          1HB       ASP  24   1.779  -2.085  12.432
  181   2HB   ASP  24          2HB       ASP  24   3.112  -2.559  11.397
  182    H    GLY  25           H        GLY  25   0.268  -3.556   9.151
  183   1HA   GLY  25          1HA       GLY  25  -2.065  -4.429   8.935
  184   2HA   GLY  25          2HA       GLY  25  -2.406  -3.559  10.417
  185    H    THR  26           H        THR  26  -0.028  -1.861   8.649
  186    HA   THR  26           HA       THR  26  -2.010  -0.356   7.107
  187    HB   THR  26           HB       THR  26  -1.360   0.511   9.595
  188    HG1  THR  26           HG1      THR  26  -2.762   1.610   8.095
  189   1HG2  THR  26          2HG2      THR  26   1.145   0.644   8.704
  190   2HG2  THR  26          3HG2      THR  26   0.557   2.090   7.850
  191   3HG2  THR  26          1HG2      THR  26   0.473   2.010   9.626
  192    H    ILE  27           H        ILE  27  -1.116   0.902   5.368
  193    HA   ILE  27           HA       ILE  27   1.593  -0.002   4.673
  194    HB   ILE  27           HB       ILE  27  -0.817   0.382   2.896
  195   1HG1  ILE  27          1HG1      ILE  27   0.800  -2.089   3.587
  196   2HG1  ILE  27          2HG1      ILE  27  -0.807  -1.716   4.178
  197   1HG2  ILE  27          3HG2      ILE  27   1.502   1.160   2.020
  198   2HG2  ILE  27          1HG2      ILE  27   1.859  -0.581   1.926
  199   3HG2  ILE  27          2HG2      ILE  27   0.493   0.099   1.009
  200   1HD1  ILE  27          2HD1      ILE  27  -0.224  -1.827   1.197
  201   2HD1  ILE  27          3HD1      ILE  27  -0.626  -3.292   2.125
  202   3HD1  ILE  27          1HD1      ILE  27  -1.796  -1.955   2.021
  203    H    THR  28           H        THR  28   2.871   1.725   5.176
  204    HA   THR  28           HA       THR  28   1.905   4.405   4.873
  205    HB   THR  28           HB       THR  28   3.471   3.698   6.683
  206    HG1  THR  28           HG1      THR  28   3.537   5.887   5.704
  207   1HG2  THR  28          3HG2      THR  28   4.826   2.320   4.609
  208   2HG2  THR  28          1HG2      THR  28   5.871   3.711   4.986
  209   3HG2  THR  28          2HG2      THR  28   5.417   2.565   6.270
  210    H    THR  29           H        THR  29   4.531   5.445   3.899
  211    HA   THR  29           HA       THR  29   3.869   5.223   1.073
  212    HB   THR  29           HB       THR  29   5.679   7.146   1.092
  213    HG1  THR  29           HG1      THR  29   6.482   7.348   3.142
  214   1HG2  THR  29          1HG2      THR  29   2.989   7.317   1.246
  215   2HG2  THR  29          2HG2      THR  29   3.365   7.851   2.902
  216   3HG2  THR  29          3HG2      THR  29   4.016   8.747   1.509
  217    H    LYS  30           H        LYS  30   6.753   4.846   3.233
  218    HA   LYS  30           HA       LYS  30   8.471   3.996   1.228
  219   1HB   LYS  30          1HB       LYS  30   8.854   4.691   3.732
  220   2HB   LYS  30          2HB       LYS  30   8.678   2.977   4.048
  221   1HG   LYS  30          1HG       LYS  30  10.476   2.474   2.393
  222   2HG   LYS  30          2HG       LYS  30  10.638   4.183   2.037
  223   1HD   LYS  30          1HD       LYS  30  11.873   4.581   3.919
  224   2HD   LYS  30          2HD       LYS  30  10.808   3.626   4.931
  225   1HE   LYS  30          1HE       LYS  30  12.161   1.782   3.198
  226   2HE   LYS  30          2HE       LYS  30  13.380   2.886   3.803
  227   1HZ   LYS  30          3HZ       LYS  30  11.441   1.779   5.668
  228   2HZ   LYS  30          1HZ       LYS  30  12.690   0.846   5.179
  229   3HZ   LYS  30          2HZ       LYS  30  12.977   2.261   5.942
  230    H    GLU  31           H        GLU  31   5.903   2.317   3.020
  231    HA   GLU  31           HA       GLU  31   6.802  -0.244   2.165
  232   1HB   GLU  31          1HB       GLU  31   4.193   0.662   3.460
  233   2HB   GLU  31          2HB       GLU  31   4.621  -1.013   3.175
  234   1HG   GLU  31          1HG       GLU  31   6.474  -0.921   4.704
  235   2HG   GLU  31          2HG       GLU  31   6.471   0.832   4.734
  236    H    LEU  32           H        LEU  32   4.788   2.343   0.912
  237    HA   LEU  32           HA       LEU  32   3.359   0.622  -0.901
  238   1HB   LEU  32          1HB       LEU  32   2.536   2.776   0.238
  239   2HB   LEU  32          2HB       LEU  32   3.476   3.627  -0.973
  240    HG   LEU  32           HG       LEU  32   2.052   1.948  -2.570
  241   1HD1  LEU  32          1HD1      LEU  32   0.435   2.378  -0.069
  242   2HD1  LEU  32          2HD1      LEU  32  -0.354   2.217  -1.656
  243   3HD1  LEU  32          3HD1      LEU  32   0.664   0.898  -1.032
  244   1HD2  LEU  32          1HD2      LEU  32   1.904   4.756  -1.755
  245   2HD2  LEU  32          2HD2      LEU  32   1.839   4.020  -3.374
  246   3HD2  LEU  32          3HD2      LEU  32   0.365   4.119  -2.382
  247    H    GLY  33           H        GLY  33   6.342   2.505  -0.793
  248   1HA   GLY  33          1HA       GLY  33   6.661   2.316  -3.701
  249   2HA   GLY  33          2HA       GLY  33   7.642   3.243  -2.584
  250    H    THR  34           H        THR  34   7.095   0.297  -1.063
  251    HA   THR  34           HA       THR  34   9.762  -0.605  -1.731
  252    HB   THR  34           HB       THR  34   7.747  -0.931   0.431
  253    HG1  THR  34           HG1      THR  34   9.773  -0.808   1.538
  254   1HG2  THR  34          2HG2      THR  34   9.508  -3.246  -0.510
  255   2HG2  THR  34          3HG2      THR  34   8.975  -3.078   1.180
  256   3HG2  THR  34          1HG2      THR  34   7.773  -3.295  -0.114
  257    H    VAL  35           H        VAL  35   6.362  -1.632  -2.231
  258    HA   VAL  35           HA       VAL  35   7.136  -4.117  -3.390
  259    HB   VAL  35           HB       VAL  35   4.639  -2.569  -2.929
  260   1HG1  VAL  35          1HG1      VAL  35   4.427  -3.140  -5.301
  261   2HG1  VAL  35          2HG1      VAL  35   4.807  -4.841  -4.939
  262   3HG1  VAL  35          3HG1      VAL  35   3.308  -4.111  -4.315
  263   1HG2  VAL  35          2HG2      VAL  35   5.505  -5.440  -2.457
  264   2HG2  VAL  35          3HG2      VAL  35   5.354  -4.143  -1.246
  265   3HG2  VAL  35          1HG2      VAL  35   3.900  -4.788  -2.045
  266    H    MET  36           H        MET  36   6.824  -0.784  -4.468
  267    HA   MET  36           HA       MET  36   6.474  -1.444  -7.195
  268   1HB   MET  36          1HB       MET  36   7.486   1.121  -5.844
  269   2HB   MET  36          2HB       MET  36   6.946   1.015  -7.507
  270   1HG   MET  36          1HG       MET  36   4.881  -0.120  -5.829
  271   2HG   MET  36          2HG       MET  36   5.349   1.422  -5.141
  272   1HE   MET  36          2HE       MET  36   3.238  -0.361  -7.542
  273   2HE   MET  36          3HE       MET  36   3.123   0.631  -9.015
  274   3HE   MET  36          1HE       MET  36   4.610  -0.285  -8.672
  275    H    ARG  37           H        ARG  37   9.258  -0.666  -5.055
  276    HA   ARG  37           HA       ARG  37  11.061  -0.592  -7.234
  277   1HB   ARG  37          1HB       ARG  37  12.803  -0.421  -5.455
  278   2HB   ARG  37          2HB       ARG  37  11.490   0.703  -5.166
  279   1HG   ARG  37          1HG       ARG  37  10.454  -0.952  -3.574
  280   2HG   ARG  37          2HG       ARG  37  11.812  -2.029  -3.834
  281   1HD   ARG  37          1HD       ARG  37  12.382  -0.852  -1.842
  282   2HD   ARG  37          2HD       ARG  37  13.329  -0.059  -3.085
  283    HE   ARG  37           HE       ARG  37  10.870   1.325  -2.979
  284   1HH1  ARG  37          2HH2      ARG  37  13.571   0.678  -0.819
  285   2HH1  ARG  37          1HH2      ARG  37  13.369   2.144   0.081
  286   1HH2  ARG  37          2HH1      ARG  37  10.603   3.260  -1.792
  287   2HH2  ARG  37          1HH1      ARG  37  11.669   3.622  -0.476
  288    H    SER  38           H        SER  38   9.427  -3.082  -5.600
  289    HA   SER  38           HA       SER  38  11.593  -4.941  -5.598
  290   1HB   SER  38          1HB       SER  38   9.307  -4.761  -4.133
  291   2HB   SER  38          2HB       SER  38   8.757  -5.880  -5.365
  292    HG   SER  38           HG       SER  38  10.913  -6.196  -3.483
  293    H    LEU  39           H        LEU  39   9.463  -3.627  -7.922
  294    HA   LEU  39           HA       LEU  39   9.634  -6.053  -9.566
  295   1HB   LEU  39          1HB       LEU  39   7.416  -4.659  -8.883
  296   2HB   LEU  39          2HB       LEU  39   7.851  -3.837 -10.368
  297    HG   LEU  39           HG       LEU  39   8.060  -6.471 -11.120
  298   1HD1  LEU  39          2HD1      LEU  39   6.427  -6.398  -8.724
  299   2HD1  LEU  39          3HD1      LEU  39   5.505  -6.990 -10.127
  300   3HD1  LEU  39          1HD1      LEU  39   7.025  -7.789  -9.660
  301   1HD2  LEU  39          1HD2      LEU  39   6.147  -4.266 -11.490
  302   2HD2  LEU  39          2HD2      LEU  39   6.939  -5.322 -12.684
  303   3HD2  LEU  39          3HD2      LEU  39   5.486  -5.885 -11.822
  304    H    GLY  40           H        GLY  40   9.278  -2.529 -10.321
  305   1HA   GLY  40          1HA       GLY  40  11.921  -2.236 -11.311
  306   2HA   GLY  40          2HA       GLY  40  10.819  -2.595 -12.626
  307    H    GLN  41           H        GLN  41   9.828  -0.871  -9.646
  308    HA   GLN  41           HA       GLN  41   9.676   1.556 -11.256
  309   1HB   GLN  41          1HB       GLN  41   7.590   0.269  -9.485
  310   2HB   GLN  41          2HB       GLN  41   7.594   2.011  -9.676
  311   1HG   GLN  41          1HG       GLN  41   6.517   1.777 -11.655
  312   2HG   GLN  41          2HG       GLN  41   7.922   0.954 -12.303
  313   1HE2  GLN  41          2HE2      GLN  41   4.468  -1.002 -11.577
  314   2HE2  GLN  41          1HE2      GLN  41   4.687   0.714 -11.486
  315    H    ASN  42           H        ASN  42   8.961   3.434  -9.404
  316    HA   ASN  42           HA       ASN  42  10.020   3.190  -6.896
  317   1HB   ASN  42          1HB       ASN  42  12.181   2.994  -8.412
  318   2HB   ASN  42          2HB       ASN  42  11.982   4.717  -8.657
  319   1HD2  ASN  42          2HD2      ASN  42  14.152   4.977  -5.896
  320   2HD2  ASN  42          1HD2      ASN  42  14.003   4.986  -7.622
  321    HA   PRO  43           HA       PRO  43   7.844   7.023  -8.175
  322   1HB   PRO  43          1HB       PRO  43   5.588   6.715  -6.663
  323   2HB   PRO  43          2HB       PRO  43   5.694   6.214  -8.338
  324   1HG   PRO  43          1HG       PRO  43   5.732   4.545  -5.899
  325   2HG   PRO  43          2HG       PRO  43   5.411   4.064  -7.553
  326   1HD   PRO  43          1HD       PRO  43   7.837   3.641  -6.083
  327   2HD   PRO  43          2HD       PRO  43   7.555   3.265  -7.772
  328    H    THR  44           H        THR  44   8.552   8.882  -7.357
  329    HA   THR  44           HA       THR  44   9.820   8.983  -4.920
  330    HB   THR  44           HB       THR  44   9.714  11.420  -5.276
  331    HG1  THR  44           HG1      THR  44   7.613  10.560  -7.140
  332   1HG2  THR  44          1HG2      THR  44  10.435   9.589  -7.371
  333   2HG2  THR  44          2HG2      THR  44   9.537  10.924  -8.131
  334   3HG2  THR  44          3HG2      THR  44  10.990  11.267  -7.163
  335    H    GLU  45           H        GLU  45   9.275  10.039  -2.887
  336    HA   GLU  45           HA       GLU  45   7.065   8.941  -1.748
  337   1HB   GLU  45          1HB       GLU  45   9.105  10.928  -1.015
  338   2HB   GLU  45          2HB       GLU  45   7.575  11.246  -0.224
  339   1HG   GLU  45          1HG       GLU  45   7.698   9.356   1.077
  340   2HG   GLU  45          2HG       GLU  45   8.339   8.375  -0.226
  341    H    ALA  46           H        ALA  46   7.399  11.953  -3.590
  342    HA   ALA  46           HA       ALA  46   5.048  13.202  -2.696
  343   1HB   ALA  46          3HB       ALA  46   6.945  13.439  -5.006
  344   2HB   ALA  46          1HB       ALA  46   5.362  14.241  -5.142
  345   3HB   ALA  46          2HB       ALA  46   6.457  14.655  -3.801
  346    H    GLU  47           H        GLU  47   5.774  10.907  -5.389
  347    HA   GLU  47           HA       GLU  47   3.274  11.017  -6.546
  348   1HB   GLU  47          1HB       GLU  47   5.290   9.997  -7.592
  349   2HB   GLU  47          2HB       GLU  47   5.236   8.683  -6.434
  350   1HG   GLU  47          1HG       GLU  47   3.876   7.581  -7.878
  351   2HG   GLU  47          2HG       GLU  47   2.625   8.743  -7.484
  352    H    LEU  48           H        LEU  48   4.600   8.437  -4.339
  353    HA   LEU  48           HA       LEU  48   2.349   6.986  -3.985
  354   1HB   LEU  48          1HB       LEU  48   4.378   7.695  -1.861
  355   2HB   LEU  48          2HB       LEU  48   3.277   6.332  -1.821
  356    HG   LEU  48           HG       LEU  48   5.231   6.636  -4.091
  357   1HD1  LEU  48          1HD1      LEU  48   5.865   6.073  -1.272
  358   2HD1  LEU  48          2HD1      LEU  48   6.491   4.874  -2.429
  359   3HD1  LEU  48          3HD1      LEU  48   6.915   6.593  -2.612
  360   1HD2  LEU  48          1HD2      LEU  48   3.797   4.296  -2.816
  361   2HD2  LEU  48          2HD2      LEU  48   3.565   4.968  -4.448
  362   3HD2  LEU  48          3HD2      LEU  48   5.081   4.131  -4.037
  363    H    GLN  49           H        GLN  49   3.346   9.783  -1.883
  364    HA   GLN  49           HA       GLN  49   1.261   9.894  -0.251
  365   1HB   GLN  49          1HB       GLN  49   3.332  11.570  -0.839
  366   2HB   GLN  49          2HB       GLN  49   2.001  12.534  -1.448
  367   1HG   GLN  49          1HG       GLN  49   1.956  13.235   0.760
  368   2HG   GLN  49          2HG       GLN  49   0.881  11.857   0.900
  369   1HE2  GLN  49          2HE2      GLN  49   2.788  10.445   3.403
  370   2HE2  GLN  49          1HE2      GLN  49   1.250  10.885   2.739
  371    H    ASP  50           H        ASP  50   1.326  11.108  -3.652
  372    HA   ASP  50           HA       ASP  50  -1.215  12.226  -3.565
  373   1HB   ASP  50          1HB       ASP  50   0.875  11.747  -5.500
  374   2HB   ASP  50          2HB       ASP  50  -0.634  11.205  -6.206
  375    H    MET  51           H        MET  51   0.090   8.966  -4.387
  376    HA   MET  51           HA       MET  51  -2.338   7.968  -5.379
  377   1HB   MET  51          1HB       MET  51   0.046   6.473  -4.151
  378   2HB   MET  51          2HB       MET  51  -1.153   5.772  -5.221
  379   1HG   MET  51          1HG       MET  51  -0.388   7.049  -7.107
  380   2HG   MET  51          2HG       MET  51   0.501   8.172  -6.097
  381   1HE   MET  51          1HE       MET  51   0.407   4.780  -7.871
  382   2HE   MET  51          2HE       MET  51   1.703   3.842  -7.091
  383   3HE   MET  51          3HE       MET  51   0.214   4.222  -6.192
  384    H    ILE  52           H        ILE  52  -0.591   7.491  -2.223
  385    HA   ILE  52           HA       ILE  52  -2.348   5.843  -0.985
  386    HB   ILE  52           HB       ILE  52  -0.523   8.012  -0.050
  387   1HG1  ILE  52          1HG1      ILE  52  -0.573   5.039  -0.161
  388   2HG1  ILE  52          2HG1      ILE  52   0.740   6.158  -0.467
  389   1HG2  ILE  52          2HG2      ILE  52  -2.409   6.463   1.746
  390   2HG2  ILE  52          3HG2      ILE  52  -1.012   7.417   2.300
  391   3HG2  ILE  52          1HG2      ILE  52  -2.375   8.224   1.489
  392   1HD1  ILE  52          2HD1      ILE  52  -0.401   5.499   2.288
  393   2HD1  ILE  52          3HD1      ILE  52   1.127   4.877   1.621
  394   3HD1  ILE  52          1HD1      ILE  52   0.949   6.614   1.968
  395    H    ASN  53           H        ASN  53  -2.571   9.432  -1.325
  396    HA   ASN  53           HA       ASN  53  -4.711   9.859   0.268
  397   1HB   ASN  53          1HB       ASN  53  -3.459  11.181  -2.062
  398   2HB   ASN  53          2HB       ASN  53  -5.178  11.509  -1.979
  399   1HD2  ASN  53          2HD2      ASN  53  -2.663  13.570   0.290
  400   2HD2  ASN  53          1HD2      ASN  53  -2.304  12.686  -1.156
  401    H    GLU  54           H        GLU  54  -4.517   8.529  -3.062
  402    HA   GLU  54           HA       GLU  54  -7.214   8.731  -3.678
  403   1HB   GLU  54          1HB       GLU  54  -5.180   6.680  -4.660
  404   2HB   GLU  54          2HB       GLU  54  -6.704   7.052  -5.439
  405   1HG   GLU  54          1HG       GLU  54  -5.711   9.569  -5.313
  406   2HG   GLU  54          2HG       GLU  54  -4.190   8.700  -5.294
  407    H    VAL  55           H        VAL  55  -5.346   6.418  -1.737
  408    HA   VAL  55           HA       VAL  55  -7.814   4.867  -1.358
  409    HB   VAL  55           HB       VAL  55  -5.897   3.197  -0.503
  410   1HG1  VAL  55          1HG1      VAL  55  -7.532   3.500  -2.859
  411   2HG1  VAL  55          2HG1      VAL  55  -5.976   2.755  -3.295
  412   3HG1  VAL  55          3HG1      VAL  55  -6.996   2.013  -2.040
  413   1HG2  VAL  55          2HG2      VAL  55  -4.141   4.915  -1.170
  414   2HG2  VAL  55          3HG2      VAL  55  -3.916   3.270  -1.811
  415   3HG2  VAL  55          1HG2      VAL  55  -4.564   4.553  -2.860
  416    H    ASP  56           H        ASP  56  -7.194   7.386  -0.033
  417    HA   ASP  56           HA       ASP  56  -7.387   6.401   2.632
  418   1HB   ASP  56          1HB       ASP  56  -5.013   6.582   2.676
  419   2HB   ASP  56          2HB       ASP  56  -5.009   8.010   1.661
  420    H    ALA  57           H        ALA  57  -9.447   7.451   2.713
  421    HA   ALA  57           HA       ALA  57  -9.588  10.239   1.908
  422   1HB   ALA  57          1HB       ALA  57 -11.399   7.966   2.138
  423   2HB   ALA  57          2HB       ALA  57 -12.055   9.399   2.966
  424   3HB   ALA  57          3HB       ALA  57 -11.605   9.493   1.246
  425    H    ASP  58           H        ASP  58  -8.725   8.425   4.643
  426    HA   ASP  58           HA       ASP  58 -10.000  10.082   6.563
  427   1HB   ASP  58          1HB       ASP  58  -9.312   8.465   8.009
  428   2HB   ASP  58          2HB       ASP  58  -8.797   7.580   6.587
  429    H    GLY  59           H        GLY  59  -6.834   9.805   4.895
  430   1HA   GLY  59          1HA       GLY  59  -5.201  11.348   4.620
  431   2HA   GLY  59          2HA       GLY  59  -6.135  12.504   5.549
  432    H    ASN  60           H        ASN  60  -5.235   9.217   6.692
  433    HA   ASN  60           HA       ASN  60  -4.145  10.353   9.036
  434   1HB   ASN  60          1HB       ASN  60  -3.708   7.983   9.672
  435   2HB   ASN  60          2HB       ASN  60  -5.333   8.159   9.041
  436   1HD2  ASN  60          2HD2      ASN  60  -3.662   5.156   7.555
  437   2HD2  ASN  60          1HD2      ASN  60  -3.967   5.743   9.156
  438    H    GLY  61           H        GLY  61  -2.991   9.402   5.864
  439   1HA   GLY  61          1HA       GLY  61  -0.851  10.168   5.153
  440   2HA   GLY  61          2HA       GLY  61  -0.206   9.821   6.745
  441    H    THR  62           H        THR  62  -1.752   7.214   6.942
  442    HA   THR  62           HA       THR  62  -0.023   5.668   5.126
  443    HB   THR  62           HB       THR  62   0.006   3.986   6.912
  444    HG1  THR  62           HG1      THR  62  -1.841   4.036   8.128
  445   1HG2  THR  62          3HG2      THR  62   1.413   6.165   7.264
  446   2HG2  THR  62          1HG2      THR  62   0.135   6.640   8.409
  447   3HG2  THR  62          2HG2      THR  62   1.088   5.165   8.701
  448    H    ILE  63           H        ILE  63  -1.081   3.240   5.060
  449    HA   ILE  63           HA       ILE  63  -3.852   3.695   4.198
  450    HB   ILE  63           HB       ILE  63  -1.691   2.065   2.863
  451   1HG1  ILE  63          1HG1      ILE  63  -2.214   4.754   2.630
  452   2HG1  ILE  63          2HG1      ILE  63  -1.401   3.760   1.438
  453   1HG2  ILE  63          3HG2      ILE  63  -4.671   2.170   2.397
  454   2HG2  ILE  63          1HG2      ILE  63  -3.523   1.689   1.125
  455   3HG2  ILE  63          2HG2      ILE  63  -3.624   0.750   2.634
  456   1HD1  ILE  63          3HD1      ILE  63  -4.430   3.915   1.471
  457   2HD1  ILE  63          1HD1      ILE  63  -3.464   5.187   0.684
  458   3HD1  ILE  63          2HD1      ILE  63  -3.349   3.503   0.118
  459    H    ASP  64           H        ASP  64  -5.347   2.003   4.604
  460    HA   ASP  64           HA       ASP  64  -4.308   0.084   6.534
  461   1HB   ASP  64          1HB       ASP  64  -7.166   1.097   6.162
  462   2HB   ASP  64          2HB       ASP  64  -6.639  -0.016   7.409
  463    H    PHE  65           H        PHE  65  -6.492  -1.722   6.560
  464    HA   PHE  65           HA       PHE  65  -6.071  -3.092   4.098
  465   1HB   PHE  65          1HB       PHE  65  -6.365  -4.023   6.507
  466   2HB   PHE  65          2HB       PHE  65  -8.057  -3.584   6.394
  467    HD1  PHE  65           HD2      PHE  65  -5.880  -5.117   3.793
  468    HD2  PHE  65           HD1      PHE  65  -9.176  -5.625   6.416
  469    HE1  PHE  65           HE2      PHE  65  -6.384  -7.334   2.730
  470    HE2  PHE  65           HE1      PHE  65  -9.681  -7.842   5.353
  471    HZ   PHE  65           HZ       PHE  65  -8.278  -8.670   3.522
  472    HA   PRO  66           HA       PRO  66 -10.650  -1.937   3.619
  473   1HB   PRO  66          1HB       PRO  66 -11.700   0.054   5.168
  474   2HB   PRO  66          2HB       PRO  66 -11.871  -1.648   5.550
  475   1HG   PRO  66          1HG       PRO  66 -10.112   0.367   6.810
  476   2HG   PRO  66          2HG       PRO  66 -10.610  -1.196   7.428
  477   1HD   PRO  66          1HD       PRO  66  -8.061  -0.533   6.291
  478   2HD   PRO  66          2HD       PRO  66  -8.600  -2.120   6.802
  479    H    GLU  67           H        GLU  67  -8.100   0.217   3.966
  480    HA   GLU  67           HA       GLU  67  -9.388   2.119   2.208
  481   1HB   GLU  67          1HB       GLU  67  -6.567   2.355   3.298
  482   2HB   GLU  67          2HB       GLU  67  -7.645   3.638   2.787
  483   1HG   GLU  67          1HG       GLU  67  -8.657   1.902   5.008
  484   2HG   GLU  67          2HG       GLU  67  -7.283   2.917   5.403
  485    H    PHE  68           H        PHE  68  -7.035  -0.503   2.245
  486    HA   PHE  68           HA       PHE  68  -5.973   0.276  -0.340
  487   1HB   PHE  68          1HB       PHE  68  -4.282  -0.644   1.044
  488   2HB   PHE  68          2HB       PHE  68  -5.414  -1.663   1.909
  489    HD1  PHE  68           HD1      PHE  68  -6.330  -3.722   0.674
  490    HD2  PHE  68           HD2      PHE  68  -2.936  -1.542  -0.644
  491    HE1  PHE  68           HE1      PHE  68  -5.586  -5.699  -0.683
  492    HE2  PHE  68           HE2      PHE  68  -2.192  -3.519  -2.000
  493    HZ   PHE  68           HZ       PHE  68  -3.527  -5.574  -2.003
  494    H    LEU  69           H        LEU  69  -8.075  -2.201   1.196
  495    HA   LEU  69           HA       LEU  69  -8.285  -4.098  -0.667
  496   1HB   LEU  69          1HB       LEU  69 -10.296  -2.775   1.103
  497   2HB   LEU  69          2HB       LEU  69 -10.848  -3.960  -0.064
  498    HG   LEU  69           HG       LEU  69  -8.605  -4.614   1.838
  499   1HD1  LEU  69          2HD1      LEU  69 -11.536  -4.438   2.440
  500   2HD1  LEU  69          3HD1      LEU  69 -10.557  -5.721   3.192
  501   3HD1  LEU  69          1HD1      LEU  69 -10.132  -4.012   3.449
  502   1HD2  LEU  69          1HD2      LEU  69  -9.212  -6.048  -0.187
  503   2HD2  LEU  69          2HD2      LEU  69  -9.117  -6.860   1.394
  504   3HD2  LEU  69          3HD2      LEU  69 -10.704  -6.455   0.695
  505    H    THR  70           H        THR  70  -9.686  -0.788  -0.869
  506    HA   THR  70           HA       THR  70 -11.171  -1.162  -3.191
  507    HB   THR  70           HB       THR  70 -11.390   0.806  -1.729
  508    HG1  THR  70           HG1      THR  70 -11.111   2.387  -3.537
  509   1HG2  THR  70          2HG2      THR  70  -8.695   0.851  -1.435
  510   2HG2  THR  70          3HG2      THR  70  -8.830   1.981  -2.804
  511   3HG2  THR  70          1HG2      THR  70  -9.675   2.329  -1.276
  512    H    MET  71           H        MET  71  -7.725  -0.123  -2.804
  513    HA   MET  71           HA       MET  71  -7.112   0.416  -5.336
  514   1HB   MET  71          1HB       MET  71  -5.736  -0.261  -2.946
  515   2HB   MET  71          2HB       MET  71  -5.099  -1.386  -4.129
  516   1HG   MET  71          1HG       MET  71  -5.271   1.242  -5.352
  517   2HG   MET  71          2HG       MET  71  -4.448   1.395  -3.812
  518   1HE   MET  71          3HE       MET  71  -3.613   1.876  -6.709
  519   2HE   MET  71          1HE       MET  71  -2.153   0.975  -7.184
  520   3HE   MET  71          2HE       MET  71  -3.764   0.348  -7.608
  521    H    MET  72           H        MET  72  -7.123  -2.911  -3.877
  522    HA   MET  72           HA       MET  72  -6.330  -4.227  -6.157
  523   1HB   MET  72          1HB       MET  72  -8.172  -5.100  -3.863
  524   2HB   MET  72          2HB       MET  72  -7.475  -6.219  -5.017
  525   1HG   MET  72          1HG       MET  72  -5.381  -4.498  -3.933
  526   2HG   MET  72          2HG       MET  72  -6.278  -5.233  -2.620
  527   1HE   MET  72          3HE       MET  72  -4.175  -5.381  -5.516
  528   2HE   MET  72          1HE       MET  72  -2.976  -6.173  -4.466
  529   3HE   MET  72          2HE       MET  72  -3.705  -7.071  -5.818
  530    H    ALA  73           H        ALA  73  -9.663  -3.492  -4.932
  531    HA   ALA  73           HA       ALA  73 -11.127  -4.830  -6.807
  532   1HB   ALA  73          1HB       ALA  73 -11.722  -3.299  -4.712
  533   2HB   ALA  73          2HB       ALA  73 -11.964  -2.067  -5.974
  534   3HB   ALA  73          3HB       ALA  73 -12.905  -3.578  -6.013
  535    H    ARG  74           H        ARG  74  -9.594  -1.565  -7.039
  536    HA   ARG  74           HA       ARG  74 -10.198  -1.695  -9.885
  537   1HB   ARG  74          1HB       ARG  74 -10.086   0.803  -9.874
  538   2HB   ARG  74          2HB       ARG  74 -11.325   0.212  -8.786
  539   1HG   ARG  74          1HG       ARG  74 -10.319   1.194  -7.005
  540   2HG   ARG  74          2HG       ARG  74  -8.809   0.371  -7.343
  541   1HD   ARG  74          1HD       ARG  74  -7.886   2.228  -8.307
  542   2HD   ARG  74          2HD       ARG  74  -9.317   2.549  -9.266
  543    HE   ARG  74           HE       ARG  74 -10.097   3.246  -6.694
  544   1HH1  ARG  74          1HH2      ARG  74  -7.278   5.762  -8.109
  545   2HH1  ARG  74          2HH2      ARG  74  -7.425   4.175  -8.787
  546   1HH2  ARG  74          1HH1      ARG  74  -8.697   6.429  -6.398
  547   2HH2  ARG  74          2HH1      ARG  74  -9.903   5.340  -5.799
  548    H    LYS  75           H        LYS  75  -8.117  -3.091  -9.805
  549    HA   LYS  75           HA       LYS  75  -5.676  -1.811  -9.155
  550   1HB   LYS  75          1HB       LYS  75  -4.945  -3.907  -9.244
  551   2HB   LYS  75          2HB       LYS  75  -6.556  -4.417  -9.704
  552   1HG   LYS  75          1HG       LYS  75  -5.912  -3.837 -12.135
  553   2HG   LYS  75          2HG       LYS  75  -4.264  -3.655 -11.566
  554   1HD   LYS  75          1HD       LYS  75  -3.954  -5.918 -11.329
  555   2HD   LYS  75          2HD       LYS  75  -5.554  -6.171 -10.661
  556   1HE   LYS  75          1HE       LYS  75  -5.569  -7.296 -12.778
  557   2HE   LYS  75          2HE       LYS  75  -6.484  -5.823 -13.033
  558   1HZ   LYS  75          2HZ       LYS  75  -3.712  -5.451 -13.486
  559   2HZ   LYS  75          3HZ       LYS  75  -4.332  -6.611 -14.454
  560   3HZ   LYS  75          1HZ       LYS  75  -4.976  -5.110 -14.462
   
  No H/Q in entry =         560
  Start of MODEL   16
    1    H    MET   0           H        MET   0 -25.369 -23.438  -2.466
    2    HA   MET   0           HA       MET   0 -25.214 -25.441  -0.603
    3   1HB   MET   0          1HB       MET   0 -25.614 -25.139  -3.428
    4   2HB   MET   0          2HB       MET   0 -24.342 -26.333  -3.261
    5   1HG   MET   0          1HG       MET   0 -26.092 -27.217  -1.329
    6   2HG   MET   0          2HG       MET   0 -27.220 -26.504  -2.465
    7   1HE   MET   0          2HE       MET   0 -26.231 -29.215  -1.226
    8   2HE   MET   0          3HE       MET   0 -27.002 -30.277  -2.428
    9   3HE   MET   0          1HE       MET   0 -25.230 -30.253  -2.269
   10    H    ALA   1           H        ALA   1 -22.671 -24.072  -2.763
   11    HA   ALA   1           HA       ALA   1 -20.654 -25.081  -0.977
   12   1HB   ALA   1          1HB       ALA   1 -21.419 -26.654  -3.208
   13   2HB   ALA   1          2HB       ALA   1 -19.882 -25.876  -3.653
   14   3HB   ALA   1          3HB       ALA   1 -19.985 -26.860  -2.174
   15    H    ASP   2           H        ASP   2 -20.145 -22.885  -0.625
   16    HA   ASP   2           HA       ASP   2 -18.250 -21.789  -2.168
   17   1HB   ASP   2          1HB       ASP   2 -20.758 -21.489  -3.485
   18   2HB   ASP   2          2HB       ASP   2 -20.401 -19.913  -2.809
   19    H    GLN   3           H        GLN   3 -17.481 -19.840  -1.114
   20    HA   GLN   3           HA       GLN   3 -19.295 -18.620   0.779
   21   1HB   GLN   3          1HB       GLN   3 -16.535 -19.656   1.565
   22   2HB   GLN   3          2HB       GLN   3 -17.611 -18.741   2.602
   23   1HG   GLN   3          1HG       GLN   3 -18.478 -21.364   1.318
   24   2HG   GLN   3          2HG       GLN   3 -17.624 -21.328   2.848
   25   1HE2  GLN   3          2HE2      GLN   3 -20.239 -19.668   4.674
   26   2HE2  GLN   3          1HE2      GLN   3 -18.520 -19.709   4.468
   27    H    LEU   4           H        LEU   4 -19.318 -16.685  -0.410
   28    HA   LEU   4           HA       LEU   4 -16.726 -15.511  -1.052
   29   1HB   LEU   4          1HB       LEU   4 -18.033 -13.940  -2.401
   30   2HB   LEU   4          2HB       LEU   4 -18.255 -15.613  -2.874
   31    HG   LEU   4           HG       LEU   4 -20.295 -14.895  -0.972
   32   1HD1  LEU   4          3HD1      LEU   4 -19.591 -12.595  -2.064
   33   2HD1  LEU   4          1HD1      LEU   4 -20.580 -13.198  -3.416
   34   3HD1  LEU   4          2HD1      LEU   4 -21.301 -13.015  -1.798
   35   1HD2  LEU   4          2HD2      LEU   4 -20.270 -15.739  -3.874
   36   2HD2  LEU   4          3HD2      LEU   4 -20.614 -16.727  -2.434
   37   3HD2  LEU   4          1HD2      LEU   4 -21.768 -15.473  -2.949
   38    H    THR   5           H        THR   5 -17.820 -12.761  -1.011
   39    HA   THR   5           HA       THR   5 -18.000 -11.032   0.378
   40    HB   THR   5           HB       THR   5 -19.619 -11.225   2.052
   41    HG1  THR   5           HG1      THR   5 -18.546 -13.905   2.551
   42   1HG2  THR   5          1HG2      THR   5 -20.163 -12.908  -0.016
   43   2HG2  THR   5          2HG2      THR   5 -20.028 -14.108   1.292
   44   3HG2  THR   5          3HG2      THR   5 -21.222 -12.793   1.410
   45    H    GLU   6           H        GLU   6 -17.670 -11.204   3.376
   46    HA   GLU   6           HA       GLU   6 -15.209 -10.410   3.676
   47   1HB   GLU   6          1HB       GLU   6 -16.842 -12.215   5.485
   48   2HB   GLU   6          2HB       GLU   6 -15.262 -11.649   5.990
   49   1HG   GLU   6          1HG       GLU   6 -16.170  -9.262   5.306
   50   2HG   GLU   6          2HG       GLU   6 -17.749 -10.015   5.397
   51    H    GLU   7           H        GLU   7 -16.113 -13.930   3.768
   52    HA   GLU   7           HA       GLU   7 -13.813 -15.091   4.285
   53   1HB   GLU   7          1HB       GLU   7 -15.792 -15.812   2.086
   54   2HB   GLU   7          2HB       GLU   7 -14.491 -16.882   2.571
   55   1HG   GLU   7          1HG       GLU   7 -15.893 -15.914   4.937
   56   2HG   GLU   7          2HG       GLU   7 -17.049 -16.584   3.803
   57    H    GLN   8           H        GLN   8 -14.670 -13.564   1.131
   58    HA   GLN   8           HA       GLN   8 -12.352 -14.386  -0.175
   59   1HB   GLN   8          1HB       GLN   8 -14.696 -13.081  -0.879
   60   2HB   GLN   8          2HB       GLN   8 -13.512 -11.800  -1.048
   61   1HG   GLN   8          1HG       GLN   8 -13.683 -12.985  -3.177
   62   2HG   GLN   8          2HG       GLN   8 -12.106 -13.308  -2.485
   63   1HE2  GLN   8          2HE2      GLN   8 -15.030 -16.256  -2.266
   64   2HE2  GLN   8          1HE2      GLN   8 -15.420 -14.575  -2.114
   65    H    ILE   9           H        ILE   9 -13.248 -11.245   1.420
   66    HA   ILE   9           HA       ILE   9 -10.936  -9.873   0.944
   67    HB   ILE   9           HB       ILE   9 -13.240  -9.427   2.290
   68   1HG1  ILE   9          1HG1      ILE   9 -11.894  -7.251   3.050
   69   2HG1  ILE   9          2HG1      ILE   9 -10.681  -7.914   1.973
   70   1HG2  ILE   9          3HG2      ILE   9 -11.058  -9.588   4.387
   71   2HG2  ILE   9          1HG2      ILE   9 -12.636  -8.794   4.610
   72   3HG2  ILE   9          2HG2      ILE   9 -12.556 -10.547   4.314
   73   1HD1  ILE   9          3HD1      ILE   9 -13.521  -7.855   0.979
   74   2HD1  ILE   9          1HD1      ILE   9 -12.637  -6.313   1.070
   75   3HD1  ILE   9          2HD1      ILE   9 -12.000  -7.646   0.078
   76    H    ALA  10           H        ALA  10 -11.652 -12.178   3.643
   77    HA   ALA  10           HA       ALA  10  -9.498 -11.982   5.185
   78   1HB   ALA  10          3HB       ALA  10 -11.432 -13.690   5.184
   79   2HB   ALA  10          1HB       ALA  10 -10.391 -14.682   4.136
   80   3HB   ALA  10          2HB       ALA  10  -9.850 -14.250   5.775
   81    H    GLU  11           H        GLU  11  -9.581 -13.387   1.876
   82    HA   GLU  11           HA       GLU  11  -6.947 -14.325   1.978
   83   1HB   GLU  11          1HB       GLU  11  -8.698 -13.597  -0.412
   84   2HB   GLU  11          2HB       GLU  11  -7.195 -14.491  -0.517
   85   1HG   GLU  11          1HG       GLU  11  -8.128 -16.286   0.922
   86   2HG   GLU  11          2HG       GLU  11  -9.614 -15.379   1.124
   87    H    PHE  12           H        PHE  12  -8.449 -11.359   0.512
   88    HA   PHE  12           HA       PHE  12  -6.275 -10.218  -0.603
   89   1HB   PHE  12          1HB       PHE  12  -8.655  -9.186   1.015
   90   2HB   PHE  12          2HB       PHE  12  -7.506  -8.035   0.363
   91    HD1  PHE  12           HD2      PHE  12  -9.906 -10.688  -0.576
   92    HD2  PHE  12           HD1      PHE  12  -7.570  -7.409  -1.916
   93    HE1  PHE  12           HE2      PHE  12 -11.117 -10.724  -2.775
   94    HE2  PHE  12           HE1      PHE  12  -8.780  -7.445  -4.114
   95    HZ   PHE  12           HZ       PHE  12 -10.539  -9.102  -4.517
   96    H    LYS  13           H        LYS  13  -6.909 -10.701   2.840
   97    HA   LYS  13           HA       LYS  13  -5.514  -8.759   4.065
   98   1HB   LYS  13          1HB       LYS  13  -5.591 -11.725   4.672
   99   2HB   LYS  13          2HB       LYS  13  -4.901 -10.538   5.760
  100   1HG   LYS  13          1HG       LYS  13  -7.191  -9.277   5.499
  101   2HG   LYS  13          2HG       LYS  13  -7.789 -10.790   4.847
  102   1HD   LYS  13          1HD       LYS  13  -6.964 -11.956   6.949
  103   2HD   LYS  13          2HD       LYS  13  -6.529 -10.389   7.601
  104   1HE   LYS  13          1HE       LYS  13  -8.677  -9.958   8.207
  105   2HE   LYS  13          2HE       LYS  13  -9.267 -10.306   6.594
  106   1HZ   LYS  13          2HZ       LYS  13  -8.616 -12.368   8.584
  107   2HZ   LYS  13          3HZ       LYS  13 -10.123 -11.813   8.288
  108   3HZ   LYS  13          1HZ       LYS  13  -9.305 -12.614   7.124
  109    H    GLU  14           H        GLU  14  -4.025 -11.840   2.830
  110    HA   GLU  14           HA       GLU  14  -1.452 -11.179   3.379
  111   1HB   GLU  14          1HB       GLU  14  -2.532 -12.775   1.014
  112   2HB   GLU  14          2HB       GLU  14  -0.859 -12.789   1.535
  113   1HG   GLU  14          1HG       GLU  14  -1.987 -13.370   3.917
  114   2HG   GLU  14          2HG       GLU  14  -3.283 -13.956   2.893
  115    H    ALA  15           H        ALA  15  -3.423 -10.368   0.463
  116    HA   ALA  15           HA       ALA  15  -1.513  -9.319  -1.160
  117   1HB   ALA  15          1HB       ALA  15  -4.255  -9.470  -1.121
  118   2HB   ALA  15          2HB       ALA  15  -3.995  -7.716  -0.965
  119   3HB   ALA  15          3HB       ALA  15  -3.308  -8.598  -2.350
  120    H    PHE  16           H        PHE  16  -3.380  -7.528   1.398
  121    HA   PHE  16           HA       PHE  16  -2.107  -5.116   1.111
  122   1HB   PHE  16          1HB       PHE  16  -4.134  -5.738   2.534
  123   2HB   PHE  16          2HB       PHE  16  -3.070  -6.576   3.645
  124    HD1  PHE  16           HD1      PHE  16  -3.382  -3.192   2.084
  125    HD2  PHE  16           HD2      PHE  16  -2.456  -5.451   5.555
  126    HE1  PHE  16           HE1      PHE  16  -3.062  -1.068   3.381
  127    HE2  PHE  16           HE2      PHE  16  -2.137  -3.327   6.853
  128    HZ   PHE  16           HZ       PHE  16  -2.443  -1.160   5.750
  129    H    SER  17           H        SER  17  -1.038  -8.086   2.790
  130    HA   SER  17           HA       SER  17   0.932  -6.953   4.338
  131   1HB   SER  17          1HB       SER  17  -0.041  -9.458   4.034
  132   2HB   SER  17          2HB       SER  17   1.425  -9.644   3.093
  133    HG   SER  17           HG       SER  17   2.324 -10.006   5.011
  134    H    LEU  18           H        LEU  18   1.071  -8.342   0.985
  135    HA   LEU  18           HA       LEU  18   3.658  -8.236   0.391
  136   1HB   LEU  18          1HB       LEU  18   1.183  -8.039  -1.041
  137   2HB   LEU  18          2HB       LEU  18   2.358  -6.972  -1.784
  138    HG   LEU  18           HG       LEU  18   3.824  -9.282  -1.417
  139   1HD1  LEU  18          2HD1      LEU  18   0.941  -9.985  -1.683
  140   2HD1  LEU  18          3HD1      LEU  18   2.114 -10.919  -2.642
  141   3HD1  LEU  18          1HD1      LEU  18   2.269 -10.847  -0.870
  142   1HD2  LEU  18          1HD2      LEU  18   2.263  -8.293  -3.814
  143   2HD2  LEU  18          2HD2      LEU  18   3.960  -7.959  -3.395
  144   3HD2  LEU  18          3HD2      LEU  18   3.471  -9.599  -3.883
  145    H    PHE  19           H        PHE  19   1.467  -5.342   0.306
  146    HA   PHE  19           HA       PHE  19   3.655  -3.592  -0.188
  147   1HB   PHE  19          1HB       PHE  19   0.721  -3.335   0.679
  148   2HB   PHE  19          2HB       PHE  19   1.724  -1.916   0.451
  149    HD1  PHE  19           HD2      PHE  19   2.513  -1.300  -1.795
  150    HD2  PHE  19           HD1      PHE  19  -0.090  -4.599  -1.205
  151    HE1  PHE  19           HE2      PHE  19   1.964  -1.305  -4.244
  152    HE2  PHE  19           HE1      PHE  19  -0.639  -4.604  -3.654
  153    HZ   PHE  19           HZ       PHE  19   0.395  -2.957  -5.145
  154    H    ASP  20           H        ASP  20   1.639  -4.473   2.683
  155    HA   ASP  20           HA       ASP  20   3.086  -2.648   4.318
  156   1HB   ASP  20          1HB       ASP  20   0.769  -3.057   4.873
  157   2HB   ASP  20          2HB       ASP  20   0.993  -4.794   4.843
  158    H    LYS  21           H        LYS  21   5.308  -3.434   4.184
  159    HA   LYS  21           HA       LYS  21   5.992  -6.128   4.533
  160   1HB   LYS  21          1HB       LYS  21   7.331  -3.571   4.177
  161   2HB   LYS  21          2HB       LYS  21   8.182  -4.571   5.337
  162   1HG   LYS  21          1HG       LYS  21   7.230  -6.052   2.939
  163   2HG   LYS  21          2HG       LYS  21   8.401  -4.798   2.581
  164   1HD   LYS  21          1HD       LYS  21  10.117  -5.948   3.563
  165   2HD   LYS  21          2HD       LYS  21   9.149  -6.388   4.957
  166   1HE   LYS  21          1HE       LYS  21   8.193  -7.796   2.575
  167   2HE   LYS  21          2HE       LYS  21   9.910  -8.072   2.795
  168   1HZ   LYS  21          1HZ       LYS  21   8.935  -8.313   5.282
  169   2HZ   LYS  21          2HZ       LYS  21   7.731  -8.963   4.390
  170   3HZ   LYS  21          3HZ       LYS  21   9.247  -9.560   4.275
  171    H    ASP  22           H        ASP  22   6.236  -3.325   6.840
  172    HA   ASP  22           HA       ASP  22   7.059  -4.696   8.997
  173   1HB   ASP  22          1HB       ASP  22   4.865  -2.615   9.256
  174   2HB   ASP  22          2HB       ASP  22   6.237  -2.877  10.313
  175    H    GLY  23           H        GLY  23   3.963  -4.828   7.338
  176   1HA   GLY  23          1HA       GLY  23   2.068  -5.981   7.691
  177   2HA   GLY  23          2HA       GLY  23   3.023  -7.074   8.673
  178    H    ASP  24           H        ASP  24   3.100  -3.739   9.704
  179    HA   ASP  24           HA       ASP  24   2.090  -4.339  12.186
  180   1HB   ASP  24          1HB       ASP  24   1.804  -1.768  12.335
  181   2HB   ASP  24          2HB       ASP  24   3.414  -2.380  12.012
  182    H    GLY  25           H        GLY  25   0.555  -3.448   9.119
  183   1HA   GLY  25          1HA       GLY  25  -1.793  -4.149   8.963
  184   2HA   GLY  25          2HA       GLY  25  -2.073  -3.310  10.476
  185    H    THR  26           H        THR  26   0.291  -1.642   8.640
  186    HA   THR  26           HA       THR  26  -1.696  -0.057   7.196
  187    HB   THR  26           HB       THR  26  -1.045   1.982   8.285
  188    HG1  THR  26           HG1      THR  26   1.061   0.229   9.342
  189   1HG2  THR  26          2HG2      THR  26  -2.331   0.331   9.838
  190   2HG2  THR  26          3HG2      THR  26  -0.748  -0.016  10.574
  191   3HG2  THR  26          1HG2      THR  26  -1.418   1.632  10.639
  192    H    ILE  27           H        ILE  27  -0.857   1.139   5.424
  193    HA   ILE  27           HA       ILE  27   1.850   0.261   4.688
  194    HB   ILE  27           HB       ILE  27  -0.592   0.664   2.959
  195   1HG1  ILE  27          1HG1      ILE  27   1.045  -1.822   3.541
  196   2HG1  ILE  27          2HG1      ILE  27  -0.513  -1.450   4.252
  197   1HG2  ILE  27          1HG2      ILE  27   1.620   1.490   1.988
  198   2HG2  ILE  27          2HG2      ILE  27   2.128  -0.216   1.992
  199   3HG2  ILE  27          3HG2      ILE  27   0.710   0.288   1.041
  200   1HD1  ILE  27          1HD1      ILE  27  -0.054  -1.623   1.241
  201   2HD1  ILE  27          2HD1      ILE  27  -0.616  -2.989   2.235
  202   3HD1  ILE  27          3HD1      ILE  27  -1.617  -1.524   2.088
  203    H    THR  28           H        THR  28   3.214   1.942   5.001
  204    HA   THR  28           HA       THR  28   2.231   4.645   4.804
  205    HB   THR  28           HB       THR  28   3.833   3.962   6.572
  206    HG1  THR  28           HG1      THR  28   4.808   5.925   6.194
  207   1HG2  THR  28          1HG2      THR  28   5.069   2.429   4.578
  208   2HG2  THR  28          2HG2      THR  28   6.155   3.830   4.737
  209   3HG2  THR  28          3HG2      THR  28   5.786   2.824   6.158
  210    H    THR  29           H        THR  29   4.867   5.636   3.762
  211    HA   THR  29           HA       THR  29   4.111   5.451   0.955
  212    HB   THR  29           HB       THR  29   5.843   7.369   0.858
  213    HG1  THR  29           HG1      THR  29   6.749   7.880   2.859
  214   1HG2  THR  29          3HG2      THR  29   3.189   7.489   1.596
  215   2HG2  THR  29          1HG2      THR  29   3.968   8.150   3.054
  216   3HG2  THR  29          2HG2      THR  29   4.239   8.922   1.473
  217    H    LYS  30           H        LYS  30   6.985   4.893   3.073
  218    HA   LYS  30           HA       LYS  30   8.646   4.047   0.991
  219   1HB   LYS  30          1HB       LYS  30   9.071   4.700   3.534
  220   2HB   LYS  30          2HB       LYS  30   8.962   2.967   3.765
  221   1HG   LYS  30          1HG       LYS  30  10.792   2.536   2.265
  222   2HG   LYS  30          2HG       LYS  30  10.723   4.148   1.584
  223   1HD   LYS  30          1HD       LYS  30  11.649   5.153   3.551
  224   2HD   LYS  30          2HD       LYS  30  11.309   3.745   4.538
  225   1HE   LYS  30          1HE       LYS  30  12.989   2.424   3.231
  226   2HE   LYS  30          2HE       LYS  30  13.329   3.832   2.245
  227   1HZ   LYS  30          1HZ       LYS  30  13.536   4.610   4.884
  228   2HZ   LYS  30          2HZ       LYS  30  14.351   3.201   4.754
  229   3HZ   LYS  30          3HZ       LYS  30  14.740   4.461   3.791
  230    H    GLU  31           H        GLU  31   6.299   2.320   3.100
  231    HA   GLU  31           HA       GLU  31   7.036  -0.216   2.162
  232   1HB   GLU  31          1HB       GLU  31   4.464   0.758   3.480
  233   2HB   GLU  31          2HB       GLU  31   4.864  -0.929   3.225
  234   1HG   GLU  31          1HG       GLU  31   6.905  -0.682   4.621
  235   2HG   GLU  31          2HG       GLU  31   6.577   1.026   4.831
  236    H    LEU  32           H        LEU  32   5.126   2.393   0.847
  237    HA   LEU  32           HA       LEU  32   3.631   0.649  -0.910
  238   1HB   LEU  32          1HB       LEU  32   2.780   2.778   0.218
  239   2HB   LEU  32          2HB       LEU  32   3.738   3.658  -0.956
  240    HG   LEU  32           HG       LEU  32   2.281   1.878  -2.522
  241   1HD1  LEU  32          3HD1      LEU  32   0.680   2.716  -0.123
  242   2HD1  LEU  32          1HD1      LEU  32  -0.105   2.529  -1.709
  243   3HD1  LEU  32          2HD1      LEU  32   0.736   1.149  -0.963
  244   1HD2  LEU  32          1HD2      LEU  32   2.230   4.790  -1.923
  245   2HD2  LEU  32          2HD2      LEU  32   2.489   3.932  -3.460
  246   3HD2  LEU  32          3HD2      LEU  32   0.842   4.114  -2.810
  247    H    GLY  33           H        GLY  33   6.454   2.853  -0.948
  248   1HA   GLY  33          1HA       GLY  33   6.782   2.601  -3.814
  249   2HA   GLY  33          2HA       GLY  33   7.805   3.467  -2.687
  250    H    THR  34           H        THR  34   7.129   0.374  -1.414
  251    HA   THR  34           HA       THR  34   9.799  -0.522  -2.161
  252    HB   THR  34           HB       THR  34   7.857  -0.905   0.074
  253    HG1  THR  34           HG1      THR  34   9.774  -0.090   0.821
  254   1HG2  THR  34          1HG2      THR  34   9.414  -3.184  -1.161
  255   2HG2  THR  34          2HG2      THR  34   9.418  -3.030   0.612
  256   3HG2  THR  34          3HG2      THR  34   7.880  -3.231  -0.261
  257    H    VAL  35           H        VAL  35   6.489  -2.008  -1.972
  258    HA   VAL  35           HA       VAL  35   7.090  -4.274  -3.382
  259    HB   VAL  35           HB       VAL  35   4.657  -2.658  -2.836
  260   1HG1  VAL  35          1HG1      VAL  35   4.884  -4.650  -5.074
  261   2HG1  VAL  35          2HG1      VAL  35   3.381  -4.562  -4.124
  262   3HG1  VAL  35          3HG1      VAL  35   3.970  -3.125  -4.995
  263   1HG2  VAL  35          1HG2      VAL  35   5.490  -5.538  -2.372
  264   2HG2  VAL  35          2HG2      VAL  35   5.367  -4.233  -1.168
  265   3HG2  VAL  35          3HG2      VAL  35   3.896  -4.878  -1.935
  266    H    MET  36           H        MET  36   6.805  -0.949  -4.501
  267    HA   MET  36           HA       MET  36   6.259  -1.556  -7.177
  268   1HB   MET  36          1HB       MET  36   7.642   0.846  -5.858
  269   2HB   MET  36          2HB       MET  36   7.094   0.833  -7.522
  270   1HG   MET  36          1HG       MET  36   4.892  -0.052  -5.882
  271   2HG   MET  36          2HG       MET  36   5.559   1.387  -5.136
  272   1HE   MET  36          1HE       MET  36   2.978   0.389  -6.595
  273   2HE   MET  36          2HE       MET  36   2.498   2.100  -6.498
  274   3HE   MET  36          3HE       MET  36   2.530   1.272  -8.073
  275    H    ARG  37           H        ARG  37   9.213  -1.499  -5.216
  276    HA   ARG  37           HA       ARG  37  11.104  -1.094  -7.092
  277   1HB   ARG  37          1HB       ARG  37  11.168  -3.143  -4.818
  278   2HB   ARG  37          2HB       ARG  37  12.586  -2.533  -5.648
  279   1HG   ARG  37          1HG       ARG  37  10.665  -0.535  -4.446
  280   2HG   ARG  37          2HG       ARG  37  11.722  -1.421  -3.365
  281   1HD   ARG  37          1HD       ARG  37  13.578  -0.258  -4.033
  282   2HD   ARG  37          2HD       ARG  37  13.160  -0.384  -5.730
  283    HE   ARG  37           HE       ARG  37  11.314   1.437  -4.858
  284   1HH1  ARG  37          2HH2      ARG  37  14.797   1.231  -4.399
  285   2HH1  ARG  37          1HH2      ARG  37  15.011   2.945  -4.278
  286   1HH2  ARG  37          2HH1      ARG  37  11.596   3.699  -4.699
  287   2HH2  ARG  37          1HH1      ARG  37  13.178   4.359  -4.450
  288    H    SER  38           H        SER  38   9.579  -4.260  -6.146
  289    HA   SER  38           HA       SER  38  10.976  -5.869  -7.826
  290   1HB   SER  38          1HB       SER  38   8.133  -5.984  -6.777
  291   2HB   SER  38          2HB       SER  38   8.741  -7.249  -7.826
  292    HG   SER  38           HG       SER  38  10.262  -6.451  -5.522
  293    H    LEU  39           H        LEU  39   8.379  -3.558  -8.530
  294    HA   LEU  39           HA       LEU  39   8.085  -4.607 -11.228
  295   1HB   LEU  39          1HB       LEU  39   6.400  -3.282  -9.363
  296   2HB   LEU  39          2HB       LEU  39   6.582  -2.224 -10.748
  297    HG   LEU  39           HG       LEU  39   6.111  -4.734 -11.880
  298   1HD1  LEU  39          3HD1      LEU  39   4.349  -4.345  -9.447
  299   2HD1  LEU  39          1HD1      LEU  39   4.011  -5.475 -10.780
  300   3HD1  LEU  39          2HD1      LEU  39   5.461  -5.696  -9.771
  301   1HD2  LEU  39          1HD2      LEU  39   4.487  -2.246 -11.449
  302   2HD2  LEU  39          2HD2      LEU  39   5.186  -2.908 -12.946
  303   3HD2  LEU  39          3HD2      LEU  39   3.752  -3.672 -12.220
  304    H    GLY  40           H        GLY  40  10.686  -3.618 -10.488
  305   1HA   GLY  40          1HA       GLY  40  12.224  -2.030 -11.012
  306   2HA   GLY  40          2HA       GLY  40  11.506  -2.207 -12.600
  307    H    GLN  41           H        GLN  41   9.668  -0.916  -9.824
  308    HA   GLN  41           HA       GLN  41   9.625   1.631 -11.234
  309   1HB   GLN  41          1HB       GLN  41   7.626   0.159  -9.522
  310   2HB   GLN  41          2HB       GLN  41   7.548   1.909  -9.573
  311   1HG   GLN  41          1HG       GLN  41   7.771   1.447 -12.236
  312   2HG   GLN  41          2HG       GLN  41   7.053  -0.083 -11.772
  313   1HE2  GLN  41          2HE2      GLN  41   3.894   1.177 -10.853
  314   2HE2  GLN  41          1HE2      GLN  41   5.039  -0.112 -10.681
  315    H    ASN  42           H        ASN  42   8.878   3.445  -9.364
  316    HA   ASN  42           HA       ASN  42   9.844   3.254  -6.850
  317   1HB   ASN  42          1HB       ASN  42  12.111   2.877  -7.590
  318   2HB   ASN  42          2HB       ASN  42  11.986   4.082  -8.856
  319   1HD2  ASN  42          2HD2      ASN  42  13.992   5.806  -6.428
  320   2HD2  ASN  42          1HD2      ASN  42  14.067   4.618  -7.686
  321    HA   PRO  43           HA       PRO  43   7.913   7.144  -8.293
  322   1HB   PRO  43          1HB       PRO  43   5.651   7.029  -6.764
  323   2HB   PRO  43          2HB       PRO  43   5.725   6.438  -8.412
  324   1HG   PRO  43          1HG       PRO  43   5.688   4.896  -5.890
  325   2HG   PRO  43          2HG       PRO  43   5.337   4.348  -7.516
  326   1HD   PRO  43          1HD       PRO  43   7.744   3.878  -6.030
  327   2HD   PRO  43          2HD       PRO  43   7.438   3.431  -7.696
  328    H    THR  44           H        THR  44   8.495   9.093  -7.548
  329    HA   THR  44           HA       THR  44   9.917   9.291  -5.204
  330    HB   THR  44           HB       THR  44   9.321  11.806  -5.530
  331    HG1  THR  44           HG1      THR  44   7.970  12.144  -7.382
  332   1HG2  THR  44          2HG2      THR  44  10.365  10.070  -7.818
  333   2HG2  THR  44          3HG2      THR  44  10.300  11.845  -7.931
  334   3HG2  THR  44          1HG2      THR  44  11.313  11.070  -6.690
  335    H    GLU  45           H        GLU  45   9.468  10.353  -3.154
  336    HA   GLU  45           HA       GLU  45   7.385   9.189  -1.853
  337   1HB   GLU  45          1HB       GLU  45   9.213  11.503  -1.281
  338   2HB   GLU  45          2HB       GLU  45   7.824  11.304  -0.232
  339   1HG   GLU  45          1HG       GLU  45   8.491   9.000   0.311
  340   2HG   GLU  45          2HG       GLU  45   9.790   9.054  -0.864
  341    H    ALA  46           H        ALA  46   7.514  12.277  -3.640
  342    HA   ALA  46           HA       ALA  46   5.138  13.371  -2.636
  343   1HB   ALA  46          1HB       ALA  46   7.174  14.021  -4.502
  344   2HB   ALA  46          2HB       ALA  46   5.636  14.090  -5.396
  345   3HB   ALA  46          3HB       ALA  46   5.855  15.067  -3.924
  346    H    GLU  47           H        GLU  47   5.869  11.170  -5.402
  347    HA   GLU  47           HA       GLU  47   3.335  11.195  -6.483
  348   1HB   GLU  47          1HB       GLU  47   5.305  10.275  -7.644
  349   2HB   GLU  47          2HB       GLU  47   5.437   8.985  -6.465
  350   1HG   GLU  47          1HG       GLU  47   4.015   7.731  -7.703
  351   2HG   GLU  47          2HG       GLU  47   2.744   8.900  -7.405
  352    H    LEU  48           H        LEU  48   4.825   8.666  -4.323
  353    HA   LEU  48           HA       LEU  48   2.639   7.114  -3.938
  354   1HB   LEU  48          1HB       LEU  48   4.714   7.871  -1.876
  355   2HB   LEU  48          2HB       LEU  48   3.655   6.477  -1.802
  356    HG   LEU  48           HG       LEU  48   5.451   6.804  -4.182
  357   1HD1  LEU  48          2HD1      LEU  48   6.323   6.106  -1.392
  358   2HD1  LEU  48          3HD1      LEU  48   7.123   5.372  -2.802
  359   3HD1  LEU  48          1HD1      LEU  48   7.113   7.141  -2.606
  360   1HD2  LEU  48          1HD2      LEU  48   4.239   4.473  -2.689
  361   2HD2  LEU  48          2HD2      LEU  48   3.924   5.008  -4.357
  362   3HD2  LEU  48          3HD2      LEU  48   5.495   4.283  -3.937
  363    H    GLN  49           H        GLN  49   3.589   9.945  -1.861
  364    HA   GLN  49           HA       GLN  49   1.543   9.945  -0.159
  365   1HB   GLN  49          1HB       GLN  49   3.551  11.682  -0.726
  366   2HB   GLN  49          2HB       GLN  49   2.204  12.619  -1.342
  367   1HG   GLN  49          1HG       GLN  49   2.176  13.310   0.880
  368   2HG   GLN  49          2HG       GLN  49   1.067  11.956   0.980
  369   1HE2  GLN  49          2HE2      GLN  49   2.899  10.581   3.569
  370   2HE2  GLN  49          1HE2      GLN  49   1.390  11.127   2.916
  371    H    ASP  50           H        ASP  50   1.487  11.120  -3.562
  372    HA   ASP  50           HA       ASP  50  -1.069  12.214  -3.407
  373   1HB   ASP  50          1HB       ASP  50   0.973  11.737  -5.405
  374   2HB   ASP  50          2HB       ASP  50  -0.563  11.204  -6.059
  375    H    MET  51           H        MET  51   0.273   8.974  -4.250
  376    HA   MET  51           HA       MET  51  -2.137   7.915  -5.195
  377   1HB   MET  51          1HB       MET  51   0.277   6.498  -3.932
  378   2HB   MET  51          2HB       MET  51  -0.919   5.735  -4.960
  379   1HG   MET  51          1HG       MET  51  -0.209   6.977  -6.899
  380   2HG   MET  51          2HG       MET  51   0.696   8.126  -5.934
  381   1HE   MET  51          3HE       MET  51   0.682   5.682  -8.184
  382   2HE   MET  51          1HE       MET  51   2.382   6.126  -8.471
  383   3HE   MET  51          2HE       MET  51   1.970   4.480  -7.934
  384    H    ILE  52           H        ILE  52  -0.388   7.494  -2.030
  385    HA   ILE  52           HA       ILE  52  -2.134   5.864  -0.763
  386    HB   ILE  52           HB       ILE  52  -0.431   8.137   0.212
  387   1HG1  ILE  52          1HG1      ILE  52  -0.201   5.137   0.096
  388   2HG1  ILE  52          2HG1      ILE  52   0.901   6.354  -0.516
  389   1HG2  ILE  52          2HG2      ILE  52  -2.610   6.911   1.645
  390   2HG2  ILE  52          3HG2      ILE  52  -1.058   6.504   2.415
  391   3HG2  ILE  52          1HG2      ILE  52  -1.501   8.207   2.153
  392   1HD1  ILE  52          1HD1      ILE  52   0.971   7.048   2.100
  393   2HD1  ILE  52          2HD1      ILE  52   0.563   5.324   2.280
  394   3HD1  ILE  52          3HD1      ILE  52   2.044   5.803   1.416
  395    H    ASN  53           H        ASN  53  -2.382   9.451  -1.136
  396    HA   ASN  53           HA       ASN  53  -4.531   9.885   0.433
  397   1HB   ASN  53          1HB       ASN  53  -3.477  11.124  -2.105
  398   2HB   ASN  53          2HB       ASN  53  -5.093  11.598  -1.620
  399   1HD2  ASN  53          2HD2      ASN  53  -2.429  13.842  -0.149
  400   2HD2  ASN  53          1HD2      ASN  53  -2.755  13.231  -1.736
  401    H    GLU  54           H        GLU  54  -4.439   8.936  -3.081
  402    HA   GLU  54           HA       GLU  54  -7.104   8.953  -3.582
  403   1HB   GLU  54          1HB       GLU  54  -4.872   7.183  -4.643
  404   2HB   GLU  54          2HB       GLU  54  -6.502   7.081  -5.277
  405   1HG   GLU  54          1HG       GLU  54  -6.229   9.754  -5.447
  406   2HG   GLU  54          2HG       GLU  54  -4.525   9.349  -5.477
  407    H    VAL  55           H        VAL  55  -5.157   6.564  -1.793
  408    HA   VAL  55           HA       VAL  55  -7.585   4.948  -1.448
  409    HB   VAL  55           HB       VAL  55  -5.577   3.389  -0.531
  410   1HG1  VAL  55          3HG1      VAL  55  -7.157   3.611  -2.980
  411   2HG1  VAL  55          1HG1      VAL  55  -5.605   2.782  -3.243
  412   3HG1  VAL  55          2HG1      VAL  55  -6.740   2.176  -2.013
  413   1HG2  VAL  55          2HG2      VAL  55  -3.920   5.181  -1.226
  414   2HG2  VAL  55          3HG2      VAL  55  -3.617   3.551  -1.873
  415   3HG2  VAL  55          1HG2      VAL  55  -4.344   4.800  -2.912
  416    H    ASP  56           H        ASP  56  -7.140   7.475  -0.075
  417    HA   ASP  56           HA       ASP  56  -7.379   6.452   2.570
  418   1HB   ASP  56          1HB       ASP  56  -5.057   6.741   2.805
  419   2HB   ASP  56          2HB       ASP  56  -5.002   8.077   1.672
  420    H    ALA  57           H        ALA  57  -9.326   7.501   3.039
  421    HA   ALA  57           HA       ALA  57  -9.651  10.244   2.069
  422   1HB   ALA  57          2HB       ALA  57 -11.292   8.073   1.840
  423   2HB   ALA  57          3HB       ALA  57 -11.919   8.803   3.337
  424   3HB   ALA  57          1HB       ALA  57 -11.865   9.759   1.837
  425    H    ASP  58           H        ASP  58  -8.699   8.459   4.810
  426    HA   ASP  58           HA       ASP  58  -9.981  10.069   6.748
  427   1HB   ASP  58          1HB       ASP  58  -9.211   8.443   8.129
  428   2HB   ASP  58          2HB       ASP  58  -8.537   7.659   6.714
  429    H    GLY  59           H        GLY  59  -6.728   9.849   5.178
  430   1HA   GLY  59          1HA       GLY  59  -5.265  11.562   4.773
  431   2HA   GLY  59          2HA       GLY  59  -6.209  12.635   5.787
  432    H    ASN  60           H        ASN  60  -5.174   9.375   6.842
  433    HA   ASN  60           HA       ASN  60  -3.935  10.540   9.105
  434   1HB   ASN  60          1HB       ASN  60  -3.540   8.201   9.795
  435   2HB   ASN  60          2HB       ASN  60  -5.174   8.352   9.178
  436   1HD2  ASN  60          2HD2      ASN  60  -3.238   5.368   7.784
  437   2HD2  ASN  60          1HD2      ASN  60  -3.378   6.041   9.374
  438    H    GLY  61           H        GLY  61  -3.011   9.641   5.873
  439   1HA   GLY  61          1HA       GLY  61  -0.937  10.252   4.970
  440   2HA   GLY  61          2HA       GLY  61  -0.179  10.052   6.537
  441    H    THR  62           H        THR  62  -1.657   7.447   7.055
  442    HA   THR  62           HA       THR  62   0.062   5.782   5.351
  443    HB   THR  62           HB       THR  62  -1.268   5.044   7.999
  444    HG1  THR  62           HG1      THR  62   1.398   6.123   7.436
  445   1HG2  THR  62          3HG2      THR  62   1.243   4.116   6.510
  446   2HG2  THR  62          1HG2      THR  62   0.832   3.632   8.173
  447   3HG2  THR  62          2HG2      THR  62  -0.219   3.149   6.820
  448    H    ILE  63           H        ILE  63  -0.856   3.487   4.992
  449    HA   ILE  63           HA       ILE  63  -3.661   3.827   4.188
  450    HB   ILE  63           HB       ILE  63  -1.361   2.408   2.864
  451   1HG1  ILE  63          1HG1      ILE  63  -2.273   4.970   2.578
  452   2HG1  ILE  63          2HG1      ILE  63  -1.383   4.071   1.366
  453   1HG2  ILE  63          3HG2      ILE  63  -4.319   1.977   2.516
  454   2HG2  ILE  63          1HG2      ILE  63  -3.191   1.756   1.156
  455   3HG2  ILE  63          2HG2      ILE  63  -3.005   0.782   2.635
  456   1HD1  ILE  63          1HD1      ILE  63  -4.383   3.732   1.511
  457   2HD1  ILE  63          2HD1      ILE  63  -3.705   5.190   0.748
  458   3HD1  ILE  63          3HD1      ILE  63  -3.300   3.579   0.107
  459    H    ASP  64           H        ASP  64  -5.142   2.225   4.730
  460    HA   ASP  64           HA       ASP  64  -4.076   0.284   6.610
  461   1HB   ASP  64          1HB       ASP  64  -6.957   1.189   6.145
  462   2HB   ASP  64          2HB       ASP  64  -6.428   0.102   7.414
  463    H    PHE  65           H        PHE  65  -6.171  -1.613   6.584
  464    HA   PHE  65           HA       PHE  65  -5.648  -2.947   4.114
  465   1HB   PHE  65          1HB       PHE  65  -5.782  -4.126   6.301
  466   2HB   PHE  65          2HB       PHE  65  -7.376  -3.462   6.604
  467    HD1  PHE  65           HD1      PHE  65  -5.927  -5.167   3.612
  468    HD2  PHE  65           HD2      PHE  65  -8.891  -5.199   6.648
  469    HE1  PHE  65           HE1      PHE  65  -6.972  -7.198   2.570
  470    HE2  PHE  65           HE2      PHE  65  -9.936  -7.229   5.607
  471    HZ   PHE  65           HZ       PHE  65  -8.964  -8.205   3.580
  472    HA   PRO  66           HA       PRO  66 -10.288  -2.050   3.657
  473   1HB   PRO  66          1HB       PRO  66 -11.431  -0.105   5.200
  474   2HB   PRO  66          2HB       PRO  66 -11.511  -1.811   5.593
  475   1HG   PRO  66          1HG       PRO  66  -9.851   0.301   6.828
  476   2HG   PRO  66          2HG       PRO  66 -10.264  -1.281   7.460
  477   1HD   PRO  66          1HD       PRO  66  -7.760  -0.496   6.303
  478   2HD   PRO  66          2HD       PRO  66  -8.213  -2.105   6.828
  479    H    GLU  67           H        GLU  67  -7.932   0.352   4.104
  480    HA   GLU  67           HA       GLU  67  -9.301   2.135   2.307
  481   1HB   GLU  67          1HB       GLU  67  -6.504   2.454   3.464
  482   2HB   GLU  67          2HB       GLU  67  -7.533   3.712   2.809
  483   1HG   GLU  67          1HG       GLU  67  -9.045   3.611   4.664
  484   2HG   GLU  67          2HG       GLU  67  -8.452   2.044   5.178
  485    H    PHE  68           H        PHE  68  -6.860  -0.392   2.288
  486    HA   PHE  68           HA       PHE  68  -5.807   0.464  -0.271
  487   1HB   PHE  68          1HB       PHE  68  -4.104  -0.501   1.048
  488   2HB   PHE  68          2HB       PHE  68  -5.234  -1.502   1.937
  489    HD1  PHE  68           HD1      PHE  68  -6.134  -3.593   0.817
  490    HD2  PHE  68           HD2      PHE  68  -2.865  -1.386  -0.749
  491    HE1  PHE  68           HE1      PHE  68  -5.441  -5.585  -0.543
  492    HE2  PHE  68           HE2      PHE  68  -2.172  -3.378  -2.109
  493    HZ   PHE  68           HZ       PHE  68  -3.468  -5.454  -1.990
  494    H    LEU  69           H        LEU  69  -8.016  -1.958   1.151
  495    HA   LEU  69           HA       LEU  69  -8.185  -3.862  -0.720
  496   1HB   LEU  69          1HB       LEU  69 -10.202  -2.498   0.999
  497   2HB   LEU  69          2HB       LEU  69 -10.782  -3.608  -0.227
  498    HG   LEU  69           HG       LEU  69  -8.664  -4.415   1.770
  499   1HD1  LEU  69          3HD1      LEU  69 -11.579  -4.061   2.186
  500   2HD1  LEU  69          1HD1      LEU  69 -10.868  -5.579   2.786
  501   3HD1  LEU  69          2HD1      LEU  69 -10.231  -4.015   3.348
  502   1HD2  LEU  69          3HD2      LEU  69  -8.980  -5.789  -0.280
  503   2HD2  LEU  69          1HD2      LEU  69  -9.319  -6.664   1.233
  504   3HD2  LEU  69          2HD2      LEU  69 -10.663  -6.082   0.221
  505    H    THR  70           H        THR  70  -9.607  -0.549  -0.951
  506    HA   THR  70           HA       THR  70 -10.968  -0.864  -3.330
  507    HB   THR  70           HB       THR  70 -11.146   1.117  -1.867
  508    HG1  THR  70           HG1      THR  70 -11.597   1.600  -4.051
  509   1HG2  THR  70          3HG2      THR  70  -8.474   1.094  -1.511
  510   2HG2  THR  70          1HG2      THR  70  -8.518   2.167  -2.930
  511   3HG2  THR  70          2HG2      THR  70  -9.391   2.618  -1.446
  512    H    MET  71           H        MET  71  -7.489  -0.021  -2.824
  513    HA   MET  71           HA       MET  71  -6.806   0.484  -5.373
  514   1HB   MET  71          1HB       MET  71  -5.509  -0.118  -2.921
  515   2HB   MET  71          2HB       MET  71  -4.854  -1.297  -4.039
  516   1HG   MET  71          1HG       MET  71  -4.943   1.264  -5.387
  517   2HG   MET  71          2HG       MET  71  -4.195   1.499  -3.820
  518   1HE   MET  71          1HE       MET  71  -4.092  -0.008  -7.257
  519   2HE   MET  71          2HE       MET  71  -2.995   1.386  -7.119
  520   3HE   MET  71          3HE       MET  71  -2.340  -0.230  -7.477
  521    H    MET  72           H        MET  72  -6.859  -2.791  -3.795
  522    HA   MET  72           HA       MET  72  -5.997  -4.230  -5.933
  523   1HB   MET  72          1HB       MET  72  -8.057  -4.879  -3.757
  524   2HB   MET  72          2HB       MET  72  -7.422  -6.102  -4.840
  525   1HG   MET  72          1HG       MET  72  -5.265  -4.494  -3.635
  526   2HG   MET  72          2HG       MET  72  -6.262  -5.258  -2.413
  527   1HE   MET  72          3HE       MET  72  -3.548  -5.362  -4.659
  528   2HE   MET  72          1HE       MET  72  -3.088  -7.059  -4.933
  529   3HE   MET  72          2HE       MET  72  -4.340  -6.302  -5.946
  530    H    ALA  73           H        ALA  73  -9.397  -3.296  -5.085
  531    HA   ALA  73           HA       ALA  73 -10.774  -4.644  -6.985
  532   1HB   ALA  73          2HB       ALA  73 -11.339  -2.734  -5.135
  533   2HB   ALA  73          3HB       ALA  73 -11.521  -1.783  -6.628
  534   3HB   ALA  73          1HB       ALA  73 -12.489  -3.258  -6.389
  535    H    ARG  74           H        ARG  74  -9.178  -1.403  -7.384
  536    HA   ARG  74           HA       ARG  74  -9.325  -1.916 -10.247
  537   1HB   ARG  74          1HB       ARG  74  -9.068   0.809  -8.885
  538   2HB   ARG  74          2HB       ARG  74  -9.363   0.518 -10.588
  539   1HG   ARG  74          1HG       ARG  74 -11.592  -0.159 -10.234
  540   2HG   ARG  74          2HG       ARG  74 -11.294  -0.651  -8.579
  541   1HD   ARG  74          1HD       ARG  74 -11.548   2.192  -9.651
  542   2HD   ARG  74          2HD       ARG  74 -12.578   1.398  -8.476
  543    HE   ARG  74           HE       ARG  74 -10.128   1.288  -7.240
  544   1HH1  ARG  74          2HH2      ARG  74 -11.903   3.923  -8.754
  545   2HH1  ARG  74          1HH2      ARG  74 -11.218   5.142  -7.731
  546   1HH2  ARG  74          2HH1      ARG  74  -9.224   2.895  -5.891
  547   2HH2  ARG  74          1HH1      ARG  74  -9.684   4.553  -6.092
  548    H    LYS  75           H        LYS  75  -7.262  -3.183  -9.877
  549    HA   LYS  75           HA       LYS  75  -4.973  -2.207  -8.776
  550   1HB   LYS  75          1HB       LYS  75  -4.110  -4.116  -9.555
  551   2HB   LYS  75          2HB       LYS  75  -5.714  -4.455 -10.173
  552   1HG   LYS  75          1HG       LYS  75  -5.021  -3.153 -12.300
  553   2HG   LYS  75          2HG       LYS  75  -3.383  -3.192 -11.678
  554   1HD   LYS  75          1HD       LYS  75  -3.639  -5.748 -11.489
  555   2HD   LYS  75          2HD       LYS  75  -5.139  -5.586 -12.379
  556   1HE   LYS  75          1HE       LYS  75  -3.695  -5.940 -14.163
  557   2HE   LYS  75          2HE       LYS  75  -3.602  -4.192 -14.079
  558   1HZ   LYS  75          3HZ       LYS  75  -1.774  -5.581 -12.361
  559   2HZ   LYS  75          1HZ       LYS  75  -1.501  -5.789 -13.958
  560   3HZ   LYS  75          2HZ       LYS  75  -1.522  -4.285 -13.321
   
  No H/Q in entry =         560
  Start of MODEL   17
    1    H    MET   0           H        MET   0 -20.178 -30.948  -2.768
    2    HA   MET   0           HA       MET   0 -18.793 -29.262  -3.099
    3   1HB   MET   0          1HB       MET   0 -21.536 -28.600  -3.799
    4   2HB   MET   0          2HB       MET   0 -20.738 -27.121  -3.304
    5   1HG   MET   0          1HG       MET   0 -20.249 -27.233  -5.619
    6   2HG   MET   0          2HG       MET   0 -18.788 -27.862  -4.884
    7   1HE   MET   0          1HE       MET   0 -17.694 -29.453  -5.774
    8   2HE   MET   0          2HE       MET   0 -18.223 -30.922  -6.628
    9   3HE   MET   0          3HE       MET   0 -18.269 -29.348  -7.456
   10    H    ALA   1           H        ALA   1 -18.410 -26.687  -2.608
   11    HA   ALA   1           HA       ALA   1 -19.311 -25.751  -0.111
   12   1HB   ALA   1          3HB       ALA   1 -17.695 -27.749   0.429
   13   2HB   ALA   1          1HB       ALA   1 -16.414 -26.595  -0.016
   14   3HB   ALA   1          2HB       ALA   1 -17.525 -26.219   1.324
   15    H    ASP   2           H        ASP   2 -19.131 -23.562  -0.227
   16    HA   ASP   2           HA       ASP   2 -16.812 -22.372  -1.291
   17   1HB   ASP   2          1HB       ASP   2 -18.114 -23.028  -3.385
   18   2HB   ASP   2          2HB       ASP   2 -19.409 -21.977  -2.848
   19    H    GLN   3           H        GLN   3 -16.811 -20.060  -0.758
   20    HA   GLN   3           HA       GLN   3 -19.238 -18.899   0.188
   21   1HB   GLN   3          1HB       GLN   3 -18.354 -20.250   2.158
   22   2HB   GLN   3          2HB       GLN   3 -16.935 -19.221   2.159
   23   1HG   GLN   3          1HG       GLN   3 -18.435 -18.263   3.772
   24   2HG   GLN   3          2HG       GLN   3 -18.505 -17.209   2.374
   25   1HE2  GLN   3          2HE2      GLN   3 -21.985 -17.517   3.191
   26   2HE2  GLN   3          1HE2      GLN   3 -20.531 -16.683   3.628
   27    H    LEU   4           H        LEU   4 -19.202 -16.799  -0.492
   28    HA   LEU   4           HA       LEU   4 -16.575 -15.665  -1.098
   29   1HB   LEU   4          1HB       LEU   4 -17.806 -14.117  -2.531
   30   2HB   LEU   4          2HB       LEU   4 -18.041 -15.795  -2.979
   31    HG   LEU   4           HG       LEU   4 -20.141 -15.028  -1.175
   32   1HD1  LEU   4          2HD1      LEU   4 -19.397 -12.727  -2.139
   33   2HD1  LEU   4          3HD1      LEU   4 -20.199 -13.291  -3.625
   34   3HD1  LEU   4          1HD1      LEU   4 -21.124 -13.156  -2.110
   35   1HD2  LEU   4          3HD2      LEU   4 -19.907 -15.995  -4.008
   36   2HD2  LEU   4          1HD2      LEU   4 -20.598 -16.803  -2.580
   37   3HD2  LEU   4          2HD2      LEU   4 -21.482 -15.473  -3.365
   38    H    THR   5           H        THR   5 -17.730 -12.913  -1.144
   39    HA   THR   5           HA       THR   5 -17.979 -11.169   0.215
   40    HB   THR   5           HB       THR   5 -19.624 -11.376   1.862
   41    HG1  THR   5           HG1      THR   5 -18.444 -14.005   2.416
   42   1HG2  THR   5          1HG2      THR   5 -20.077 -13.118  -0.188
   43   2HG2  THR   5          2HG2      THR   5 -19.956 -14.280   1.155
   44   3HG2  THR   5          3HG2      THR   5 -21.176 -12.985   1.206
   45    H    GLU   6           H        GLU   6 -17.705 -11.337   3.237
   46    HA   GLU   6           HA       GLU   6 -15.269 -10.462   3.568
   47   1HB   GLU   6          1HB       GLU   6 -16.794 -12.359   5.394
   48   2HB   GLU   6          2HB       GLU   6 -15.319 -11.561   5.900
   49   1HG   GLU   6          1HG       GLU   6 -16.403  -9.332   5.300
   50   2HG   GLU   6          2HG       GLU   6 -17.896 -10.197   4.993
   51    H    GLU   7           H        GLU   7 -16.088 -14.001   3.663
   52    HA   GLU   7           HA       GLU   7 -13.768 -15.098   4.236
   53   1HB   GLU   7          1HB       GLU   7 -15.786 -15.860   2.104
   54   2HB   GLU   7          2HB       GLU   7 -14.385 -16.870   2.403
   55   1HG   GLU   7          1HG       GLU   7 -15.665 -16.109   4.928
   56   2HG   GLU   7          2HG       GLU   7 -16.825 -16.861   3.851
   57    H    GLN   8           H        GLN   8 -14.598 -13.571   1.083
   58    HA   GLN   8           HA       GLN   8 -12.253 -14.366  -0.200
   59   1HB   GLN   8          1HB       GLN   8 -14.612 -12.998  -0.880
   60   2HB   GLN   8          2HB       GLN   8 -13.353 -11.807  -1.141
   61   1HG   GLN   8          1HG       GLN   8 -13.106 -12.835  -3.171
   62   2HG   GLN   8          2HG       GLN   8 -12.167 -14.010  -2.272
   63   1HE2  GLN   8          2HE2      GLN   8 -14.788 -16.467  -2.064
   64   2HE2  GLN   8          1HE2      GLN   8 -13.526 -15.726  -1.138
   65    H    ILE   9           H        ILE   9 -13.214 -11.225   1.361
   66    HA   ILE   9           HA       ILE   9 -10.917  -9.826   0.931
   67    HB   ILE   9           HB       ILE   9 -13.241  -9.418   2.253
   68   1HG1  ILE   9          1HG1      ILE   9 -11.928  -7.228   3.039
   69   2HG1  ILE   9          2HG1      ILE   9 -10.703  -7.869   1.962
   70   1HG2  ILE   9          1HG2      ILE   9 -11.082  -9.563   4.373
   71   2HG2  ILE   9          2HG2      ILE   9 -12.668  -8.781   4.582
   72   3HG2  ILE   9          3HG2      ILE   9 -12.571 -10.533   4.281
   73   1HD1  ILE   9          2HD1      ILE   9 -13.493  -7.920   0.892
   74   2HD1  ILE   9          3HD1      ILE   9 -12.773  -6.307   1.117
   75   3HD1  ILE   9          1HD1      ILE   9 -11.967  -7.504   0.074
   76    H    ALA  10           H        ALA  10 -11.630 -12.143   3.622
   77    HA   ALA  10           HA       ALA  10  -9.482 -11.915   5.176
   78   1HB   ALA  10          1HB       ALA  10 -11.450 -13.689   5.010
   79   2HB   ALA  10          2HB       ALA  10 -10.196 -14.679   4.225
   80   3HB   ALA  10          3HB       ALA  10  -9.947 -14.076   5.881
   81    H    GLU  11           H        GLU  11  -9.547 -13.312   1.868
   82    HA   GLU  11           HA       GLU  11  -6.918 -14.264   1.981
   83   1HB   GLU  11          1HB       GLU  11  -8.667 -13.521  -0.405
   84   2HB   GLU  11          2HB       GLU  11  -7.153 -14.395  -0.525
   85   1HG   GLU  11          1HG       GLU  11  -8.068 -16.209   0.922
   86   2HG   GLU  11          2HG       GLU  11  -9.575 -15.329   1.087
   87    H    PHE  12           H        PHE  12  -8.399 -11.281   0.528
   88    HA   PHE  12           HA       PHE  12  -6.229 -10.137  -0.578
   89   1HB   PHE  12          1HB       PHE  12  -8.593  -9.120   1.069
   90   2HB   PHE  12          2HB       PHE  12  -7.434  -7.960   0.450
   91    HD1  PHE  12           HD1      PHE  12  -9.846 -10.576  -0.567
   92    HD2  PHE  12           HD2      PHE  12  -7.497  -7.266  -1.808
   93    HE1  PHE  12           HE1      PHE  12 -11.053 -10.544  -2.767
   94    HE2  PHE  12           HE2      PHE  12  -8.705  -7.234  -4.008
   95    HZ   PHE  12           HZ       PHE  12 -10.469  -8.873  -4.461
   96    H    LYS  13           H        LYS  13  -6.844 -10.647   2.868
   97    HA   LYS  13           HA       LYS  13  -5.383  -8.727   4.075
   98   1HB   LYS  13          1HB       LYS  13  -5.570 -11.680   4.723
   99   2HB   LYS  13          2HB       LYS  13  -4.857 -10.496   5.799
  100   1HG   LYS  13          1HG       LYS  13  -7.105  -9.174   5.495
  101   2HG   LYS  13          2HG       LYS  13  -7.741 -10.678   4.858
  102   1HD   LYS  13          1HD       LYS  13  -7.413 -11.838   6.920
  103   2HD   LYS  13          2HD       LYS  13  -6.277 -10.646   7.519
  104   1HE   LYS  13          1HE       LYS  13  -8.694  -9.218   6.987
  105   2HE   LYS  13          2HE       LYS  13  -9.180 -10.700   7.786
  106   1HZ   LYS  13          2HZ       LYS  13  -7.015  -9.006   8.808
  107   2HZ   LYS  13          3HZ       LYS  13  -8.572  -8.817   9.263
  108   3HZ   LYS  13          1HZ       LYS  13  -7.789 -10.213   9.589
  109    H    GLU  14           H        GLU  14  -4.090 -11.793   2.630
  110    HA   GLU  14           HA       GLU  14  -1.460 -11.286   3.251
  111   1HB   GLU  14          1HB       GLU  14  -2.655 -12.824   0.904
  112   2HB   GLU  14          2HB       GLU  14  -0.965 -12.897   1.364
  113   1HG   GLU  14          1HG       GLU  14  -2.123 -13.415   3.791
  114   2HG   GLU  14          2HG       GLU  14  -3.360 -14.063   2.732
  115    H    ALA  15           H        ALA  15  -3.461 -10.286   0.430
  116    HA   ALA  15           HA       ALA  15  -1.479  -9.318  -1.208
  117   1HB   ALA  15          2HB       ALA  15  -4.263  -9.368  -1.131
  118   2HB   ALA  15          3HB       ALA  15  -3.878  -7.630  -1.120
  119   3HB   ALA  15          1HB       ALA  15  -3.264  -8.670  -2.428
  120    H    PHE  16           H        PHE  16  -3.328  -7.548   1.374
  121    HA   PHE  16           HA       PHE  16  -2.067  -5.131   1.116
  122   1HB   PHE  16          1HB       PHE  16  -4.063  -5.802   2.569
  123   2HB   PHE  16          2HB       PHE  16  -2.964  -6.641   3.645
  124    HD1  PHE  16           HD2      PHE  16  -3.224  -3.241   2.103
  125    HD2  PHE  16           HD1      PHE  16  -2.450  -5.533   5.589
  126    HE1  PHE  16           HE2      PHE  16  -2.903  -1.129   3.421
  127    HE2  PHE  16           HE1      PHE  16  -2.129  -3.421   6.907
  128    HZ   PHE  16           HZ       PHE  16  -2.359  -1.244   5.807
  129    H    SER  17           H        SER  17  -0.970  -8.118   2.762
  130    HA   SER  17           HA       SER  17   1.038  -6.997   4.266
  131   1HB   SER  17          1HB       SER  17   1.085  -9.733   2.919
  132   2HB   SER  17          2HB       SER  17   1.989  -9.263   4.345
  133    HG   SER  17           HG       SER  17  -0.883  -9.511   4.094
  134    H    LEU  18           H        LEU  18   1.106  -8.376   0.906
  135    HA   LEU  18           HA       LEU  18   3.669  -8.284   0.247
  136   1HB   LEU  18          1HB       LEU  18   1.172  -8.063  -1.118
  137   2HB   LEU  18          2HB       LEU  18   2.303  -6.950  -1.861
  138    HG   LEU  18           HG       LEU  18   3.818  -9.247  -1.611
  139   1HD1  LEU  18          2HD1      LEU  18   1.605 -10.365  -0.928
  140   2HD1  LEU  18          3HD1      LEU  18   1.150 -10.196  -2.640
  141   3HD1  LEU  18          1HD1      LEU  18   2.588 -11.144  -2.191
  142   1HD2  LEU  18          2HD2      LEU  18   3.451  -7.576  -3.541
  143   2HD2  LEU  18          3HD2      LEU  18   3.851  -9.264  -3.940
  144   3HD2  LEU  18          1HD2      LEU  18   2.170  -8.693  -4.070
  145    H    PHE  19           H        PHE  19   1.523  -5.356   0.281
  146    HA   PHE  19           HA       PHE  19   3.735  -3.635  -0.233
  147   1HB   PHE  19          1HB       PHE  19   0.811  -3.359   0.654
  148   2HB   PHE  19          2HB       PHE  19   1.829  -1.944   0.480
  149    HD1  PHE  19           HD1      PHE  19   0.417  -4.820  -1.381
  150    HD2  PHE  19           HD2      PHE  19   2.202  -0.978  -1.636
  151    HE1  PHE  19           HE1      PHE  19  -0.128  -4.729  -3.829
  152    HE2  PHE  19           HE2      PHE  19   1.658  -0.888  -4.085
  153    HZ   PHE  19           HZ       PHE  19   0.500  -2.765  -5.152
  154    H    ASP  20           H        ASP  20   1.692  -4.448   2.649
  155    HA   ASP  20           HA       ASP  20   3.207  -2.698   4.288
  156   1HB   ASP  20          1HB       ASP  20   0.904  -3.055   4.888
  157   2HB   ASP  20          2HB       ASP  20   1.065  -4.797   4.789
  158    H    LYS  21           H        LYS  21   5.414  -3.497   4.174
  159    HA   LYS  21           HA       LYS  21   6.034  -6.228   4.506
  160   1HB   LYS  21          1HB       LYS  21   8.345  -5.444   4.652
  161   2HB   LYS  21          2HB       LYS  21   7.499  -4.690   3.315
  162   1HG   LYS  21          1HG       LYS  21   6.978  -2.759   5.032
  163   2HG   LYS  21          2HG       LYS  21   8.270  -3.464   5.984
  164   1HD   LYS  21          1HD       LYS  21   9.407  -3.368   3.442
  165   2HD   LYS  21          2HD       LYS  21   8.419  -1.921   3.455
  166   1HE   LYS  21          1HE       LYS  21   9.474  -1.333   5.717
  167   2HE   LYS  21          2HE       LYS  21  10.574  -2.676   5.482
  168   1HZ   LYS  21          2HZ       LYS  21  10.324  -0.783   3.309
  169   2HZ   LYS  21          3HZ       LYS  21  11.122  -0.281   4.643
  170   3HZ   LYS  21          1HZ       LYS  21  11.639  -1.600   3.831
  171    H    ASP  22           H        ASP  22   6.262  -3.369   6.736
  172    HA   ASP  22           HA       ASP  22   7.204  -4.654   8.905
  173   1HB   ASP  22          1HB       ASP  22   4.943  -2.632   9.120
  174   2HB   ASP  22          2HB       ASP  22   6.297  -2.847  10.212
  175    H    GLY  23           H        GLY  23   4.055  -4.906   7.346
  176   1HA   GLY  23          1HA       GLY  23   2.227  -6.143   7.763
  177   2HA   GLY  23          2HA       GLY  23   3.242  -7.162   8.764
  178    H    ASP  24           H        ASP  24   3.220  -3.798   9.686
  179    HA   ASP  24           HA       ASP  24   2.252  -4.361  12.199
  180   1HB   ASP  24          1HB       ASP  24   2.036  -1.853  12.405
  181   2HB   ASP  24          2HB       ASP  24   3.593  -2.382  11.799
  182    H    GLY  25           H        GLY  25   0.686  -3.422   9.133
  183   1HA   GLY  25          1HA       GLY  25  -1.659  -4.214   9.005
  184   2HA   GLY  25          2HA       GLY  25  -1.936  -3.351  10.505
  185    H    THR  26           H        THR  26   0.389  -1.633   8.715
  186    HA   THR  26           HA       THR  26  -1.623  -0.117   7.221
  187    HB   THR  26           HB       THR  26  -1.026   0.752   9.679
  188    HG1  THR  26           HG1      THR  26  -1.734   2.675   8.735
  189   1HG2  THR  26          3HG2      THR  26   1.549   0.805   8.590
  190   2HG2  THR  26          1HG2      THR  26   0.968   2.462   8.299
  191   3HG2  THR  26          2HG2      THR  26   0.999   1.808   9.954
  192    H    ILE  27           H        ILE  27  -0.739   1.211   5.509
  193    HA   ILE  27           HA       ILE  27   1.954   0.314   4.750
  194    HB   ILE  27           HB       ILE  27  -0.483   0.693   3.009
  195   1HG1  ILE  27          1HG1      ILE  27   1.163  -1.788   3.587
  196   2HG1  ILE  27          2HG1      ILE  27  -0.383  -1.418   4.326
  197   1HG2  ILE  27          2HG2      ILE  27   1.578   1.559   1.940
  198   2HG2  ILE  27          3HG2      ILE  27   2.332  -0.038   2.160
  199   3HG2  ILE  27          1HG2      ILE  27   0.902   0.135   1.114
  200   1HD1  ILE  27          3HD1      ILE  27   0.074  -1.675   1.318
  201   2HD1  ILE  27          1HD1      ILE  27  -0.611  -2.946   2.359
  202   3HD1  ILE  27          2HD1      ILE  27  -1.491  -1.417   2.125
  203    H    THR  28           H        THR  28   3.333   1.992   4.950
  204    HA   THR  28           HA       THR  28   2.300   4.692   4.771
  205    HB   THR  28           HB       THR  28   3.888   4.017   6.569
  206    HG1  THR  28           HG1      THR  28   4.392   6.131   6.111
  207   1HG2  THR  28          2HG2      THR  28   5.812   3.571   4.225
  208   2HG2  THR  28          3HG2      THR  28   6.280   3.610   5.942
  209   3HG2  THR  28          1HG2      THR  28   5.228   2.308   5.335
  210    H    THR  29           H        THR  29   4.958   5.684   3.761
  211    HA   THR  29           HA       THR  29   4.226   5.523   0.955
  212    HB   THR  29           HB       THR  29   6.156   7.327   0.947
  213    HG1  THR  29           HG1      THR  29   7.049   7.364   2.972
  214   1HG2  THR  29          2HG2      THR  29   3.590   7.797   1.019
  215   2HG2  THR  29          3HG2      THR  29   3.802   7.974   2.778
  216   3HG2  THR  29          1HG2      THR  29   4.657   9.067   1.664
  217    H    LYS  30           H        LYS  30   7.091   4.852   3.058
  218    HA   LYS  30           HA       LYS  30   8.727   3.963   0.993
  219   1HB   LYS  30          1HB       LYS  30   8.698   3.890   3.937
  220   2HB   LYS  30          2HB       LYS  30   9.561   2.554   3.205
  221   1HG   LYS  30          1HG       LYS  30  10.155   5.117   1.870
  222   2HG   LYS  30          2HG       LYS  30  10.545   5.160   3.578
  223   1HD   LYS  30          1HD       LYS  30  11.455   2.624   2.608
  224   2HD   LYS  30          2HD       LYS  30  11.959   3.814   1.425
  225   1HE   LYS  30          1HE       LYS  30  12.403   4.297   4.394
  226   2HE   LYS  30          2HE       LYS  30  13.535   3.333   3.467
  227   1HZ   LYS  30          1HZ       LYS  30  12.735   5.932   2.435
  228   2HZ   LYS  30          2HZ       LYS  30  13.832   5.867   3.642
  229   3HZ   LYS  30          3HZ       LYS  30  14.137   5.124   2.220
  230    H    GLU  31           H        GLU  31   6.548   2.115   3.230
  231    HA   GLU  31           HA       GLU  31   7.098  -0.350   2.143
  232   1HB   GLU  31          1HB       GLU  31   4.538   0.668   3.454
  233   2HB   GLU  31          2HB       GLU  31   4.895  -1.023   3.167
  234   1HG   GLU  31          1HG       GLU  31   6.965  -0.817   4.570
  235   2HG   GLU  31          2HG       GLU  31   6.589   0.868   4.868
  236    H    LEU  32           H        LEU  32   5.231   2.339   0.898
  237    HA   LEU  32           HA       LEU  32   3.737   0.674  -0.933
  238   1HB   LEU  32          1HB       LEU  32   2.905   2.778   0.258
  239   2HB   LEU  32          2HB       LEU  32   3.884   3.681  -0.882
  240    HG   LEU  32           HG       LEU  32   2.422   1.982  -2.522
  241   1HD1  LEU  32          2HD1      LEU  32   1.082   1.452  -0.407
  242   2HD1  LEU  32          3HD1      LEU  32   0.451   3.112  -0.537
  243   3HD1  LEU  32          1HD1      LEU  32   0.175   1.949  -1.856
  244   1HD2  LEU  32          2HD2      LEU  32   2.753   4.778  -2.044
  245   2HD2  LEU  32          3HD2      LEU  32   2.228   3.946  -3.527
  246   3HD2  LEU  32          1HD2      LEU  32   1.025   4.449  -2.315
  247    H    GLY  33           H        GLY  33   6.565   2.881  -0.888
  248   1HA   GLY  33          1HA       GLY  33   6.923   2.721  -3.750
  249   2HA   GLY  33          2HA       GLY  33   7.959   3.512  -2.578
  250    H    THR  34           H        THR  34   7.362   0.501  -1.255
  251    HA   THR  34           HA       THR  34   9.959  -0.456  -2.096
  252    HB   THR  34           HB       THR  34   7.999  -0.883   0.112
  253    HG1  THR  34           HG1      THR  34  10.887  -1.162  -0.345
  254   1HG2  THR  34          2HG2      THR  34   9.520  -3.149  -1.192
  255   2HG2  THR  34          3HG2      THR  34   9.514  -3.056   0.585
  256   3HG2  THR  34          1HG2      THR  34   7.978  -3.197  -0.304
  257    H    VAL  35           H        VAL  35   6.709  -2.056  -1.864
  258    HA   VAL  35           HA       VAL  35   7.257  -4.227  -3.366
  259    HB   VAL  35           HB       VAL  35   4.845  -2.584  -2.822
  260   1HG1  VAL  35          1HG1      VAL  35   4.960  -4.694  -4.995
  261   2HG1  VAL  35          2HG1      VAL  35   3.452  -4.196  -4.191
  262   3HG1  VAL  35          3HG1      VAL  35   4.396  -3.011  -5.126
  263   1HG2  VAL  35          1HG2      VAL  35   5.617  -5.491  -2.433
  264   2HG2  VAL  35          2HG2      VAL  35   5.491  -4.222  -1.192
  265   3HG2  VAL  35          3HG2      VAL  35   4.025  -4.818  -2.007
  266    H    MET  36           H        MET  36   6.994  -0.874  -4.434
  267    HA   MET  36           HA       MET  36   6.509  -1.427  -7.128
  268   1HB   MET  36          1HB       MET  36   7.878   0.933  -5.722
  269   2HB   MET  36          2HB       MET  36   7.399   0.960  -7.407
  270   1HG   MET  36          1HG       MET  36   5.135   0.069  -5.829
  271   2HG   MET  36          2HG       MET  36   5.778   1.527  -5.100
  272   1HE   MET  36          2HE       MET  36   2.936   1.627  -6.166
  273   2HE   MET  36          3HE       MET  36   2.688   1.923  -7.904
  274   3HE   MET  36          1HE       MET  36   3.236   0.326  -7.342
  275    H    ARG  37           H        ARG  37   9.531  -0.922  -5.211
  276    HA   ARG  37           HA       ARG  37  11.291  -0.826  -7.271
  277   1HB   ARG  37          1HB       ARG  37  11.479  -1.899  -4.435
  278   2HB   ARG  37          2HB       ARG  37  12.867  -2.022  -5.498
  279   1HG   ARG  37          1HG       ARG  37  13.260   0.254  -5.486
  280   2HG   ARG  37          2HG       ARG  37  11.555   0.659  -5.462
  281   1HD   ARG  37          1HD       ARG  37  11.916  -0.558  -2.971
  282   2HD   ARG  37          2HD       ARG  37  13.432   0.291  -3.197
  283    HE   ARG  37           HE       ARG  37  10.780   1.503  -2.845
  284   1HH1  ARG  37          2HH2      ARG  37  14.072   2.011  -3.981
  285   2HH1  ARG  37          1HH2      ARG  37  13.996   3.734  -3.824
  286   1HH2  ARG  37          2HH1      ARG  37  10.680   3.777  -2.639
  287   2HH2  ARG  37          1HH1      ARG  37  12.054   4.746  -3.056
  288    H    SER  38           H        SER  38   9.432  -3.548  -6.016
  289    HA   SER  38           HA       SER  38  11.138  -5.521  -7.142
  290   1HB   SER  38          1HB       SER  38   9.346  -5.616  -5.144
  291   2HB   SER  38          2HB       SER  38   8.263  -6.084  -6.439
  292    HG   SER  38           HG       SER  38  10.748  -7.418  -6.447
  293    H    LEU  39           H        LEU  39   9.180  -3.217  -8.524
  294    HA   LEU  39           HA       LEU  39   8.501  -4.999 -10.760
  295   1HB   LEU  39          1HB       LEU  39   6.747  -3.544  -9.149
  296   2HB   LEU  39          2HB       LEU  39   6.898  -2.585 -10.608
  297    HG   LEU  39           HG       LEU  39   6.547  -5.149 -11.598
  298   1HD1  LEU  39          1HD1      LEU  39   5.085  -4.858  -8.992
  299   2HD1  LEU  39          2HD1      LEU  39   4.354  -5.769 -10.335
  300   3HD1  LEU  39          3HD1      LEU  39   5.929  -6.268  -9.674
  301   1HD2  LEU  39          2HD2      LEU  39   4.986  -2.663 -11.376
  302   2HD2  LEU  39          3HD2      LEU  39   5.324  -3.694 -12.787
  303   3HD2  LEU  39          1HD2      LEU  39   4.017  -4.129 -11.660
  304    H    GLY  40           H        GLY  40  10.899  -3.178  -9.900
  305   1HA   GLY  40          1HA       GLY  40  12.433  -2.013 -11.073
  306   2HA   GLY  40          2HA       GLY  40  11.479  -2.249 -12.524
  307    H    GLN  41           H        GLN  41   9.794  -0.885  -9.763
  308    HA   GLN  41           HA       GLN  41   9.846   1.677 -11.145
  309   1HB   GLN  41          1HB       GLN  41   7.773   0.265  -9.456
  310   2HB   GLN  41          2HB       GLN  41   7.731   2.013  -9.577
  311   1HG   GLN  41          1HG       GLN  41   8.104   1.184 -12.239
  312   2HG   GLN  41          2HG       GLN  41   7.008  -0.019 -11.589
  313   1HE2  GLN  41          2HE2      GLN  41   4.282   2.157 -11.004
  314   2HE2  GLN  41          1HE2      GLN  41   5.065   0.687 -10.528
  315    H    ASN  42           H        ASN  42   9.246   3.560  -9.392
  316    HA   ASN  42           HA       ASN  42  10.111   3.290  -6.811
  317   1HB   ASN  42          1HB       ASN  42  12.353   2.897  -8.109
  318   2HB   ASN  42          2HB       ASN  42  12.285   4.603  -8.505
  319   1HD2  ASN  42          2HD2      ASN  42  14.375   4.557  -5.564
  320   2HD2  ASN  42          1HD2      ASN  42  14.402   4.211  -7.261
  321    HA   PRO  43           HA       PRO  43   8.280   7.232  -8.264
  322   1HB   PRO  43          1HB       PRO  43   5.951   7.123  -6.838
  323   2HB   PRO  43          2HB       PRO  43   6.088   6.567  -8.494
  324   1HG   PRO  43          1HG       PRO  43   5.915   4.971  -6.012
  325   2HG   PRO  43          2HG       PRO  43   5.627   4.465  -7.665
  326   1HD   PRO  43          1HD       PRO  43   7.959   3.921  -6.086
  327   2HD   PRO  43          2HD       PRO  43   7.718   3.516  -7.774
  328    H    THR  44           H        THR  44   8.802   9.174  -7.444
  329    HA   THR  44           HA       THR  44  10.179   9.329  -5.084
  330    HB   THR  44           HB       THR  44   9.694  11.801  -5.320
  331    HG1  THR  44           HG1      THR  44   7.986  12.337  -6.713
  332   1HG2  THR  44          1HG2      THR  44  10.684  10.053  -7.481
  333   2HG2  THR  44          2HG2      THR  44   9.939  11.540  -8.116
  334   3HG2  THR  44          3HG2      THR  44  11.289  11.644  -6.960
  335    H    GLU  45           H        GLU  45   9.536  10.717  -3.113
  336    HA   GLU  45           HA       GLU  45   7.500   9.292  -1.834
  337   1HB   GLU  45          1HB       GLU  45   9.177  11.709  -1.091
  338   2HB   GLU  45          2HB       GLU  45   7.911  11.137  -0.022
  339   1HG   GLU  45          1HG       GLU  45   8.973   9.025   0.315
  340   2HG   GLU  45          2HG       GLU  45   9.981   9.198  -1.108
  341    H    ALA  46           H        ALA  46   7.559  12.207  -3.776
  342    HA   ALA  46           HA       ALA  46   5.246  13.416  -2.670
  343   1HB   ALA  46          3HB       ALA  46   7.248  13.990  -4.614
  344   2HB   ALA  46          1HB       ALA  46   5.675  14.100  -5.439
  345   3HB   ALA  46          2HB       ALA  46   5.987  15.078  -3.985
  346    H    GLU  47           H        GLU  47   5.903  11.187  -5.437
  347    HA   GLU  47           HA       GLU  47   3.329  11.207  -6.431
  348   1HB   GLU  47          1HB       GLU  47   5.239  10.312  -7.687
  349   2HB   GLU  47          2HB       GLU  47   5.467   9.035  -6.510
  350   1HG   GLU  47          1HG       GLU  47   3.849   7.739  -7.453
  351   2HG   GLU  47          2HG       GLU  47   2.702   9.064  -7.490
  352    H    LEU  48           H        LEU  48   4.918   8.662  -4.361
  353    HA   LEU  48           HA       LEU  48   2.801   7.069  -3.898
  354   1HB   LEU  48          1HB       LEU  48   4.887   7.935  -1.891
  355   2HB   LEU  48          2HB       LEU  48   3.858   6.524  -1.742
  356    HG   LEU  48           HG       LEU  48   5.567   6.785  -4.188
  357   1HD1  LEU  48          3HD1      LEU  48   7.028   7.369  -2.248
  358   2HD1  LEU  48          1HD1      LEU  48   6.658   5.774  -1.550
  359   3HD1  LEU  48          2HD1      LEU  48   7.509   5.888  -3.110
  360   1HD2  LEU  48          3HD2      LEU  48   3.911   4.951  -3.923
  361   2HD2  LEU  48          1HD2      LEU  48   5.586   4.380  -4.104
  362   3HD2  LEU  48          2HD2      LEU  48   4.816   4.385  -2.499
  363    H    GLN  49           H        GLN  49   3.665   9.945  -1.845
  364    HA   GLN  49           HA       GLN  49   1.670   9.912  -0.114
  365   1HB   GLN  49          1HB       GLN  49   3.549  11.734  -0.768
  366   2HB   GLN  49          2HB       GLN  49   2.160  12.564  -1.441
  367   1HG   GLN  49          1HG       GLN  49   2.002  13.377   0.715
  368   2HG   GLN  49          2HG       GLN  49   1.075  11.907   0.943
  369   1HE2  GLN  49          2HE2      GLN  49   3.101  10.973   3.583
  370   2HE2  GLN  49          1HE2      GLN  49   1.526  11.270   2.925
  371    H    ASP  50           H        ASP  50   1.435  11.121  -3.516
  372    HA   ASP  50           HA       ASP  50  -1.170  12.009  -3.322
  373   1HB   ASP  50          1HB       ASP  50   0.826  11.733  -5.325
  374   2HB   ASP  50          2HB       ASP  50  -0.552  10.844  -5.941
  375    H    MET  51           H        MET  51   0.296   8.833  -4.273
  376    HA   MET  51           HA       MET  51  -2.070   7.616  -5.043
  377   1HB   MET  51          1HB       MET  51   0.456   6.386  -3.805
  378   2HB   MET  51          2HB       MET  51  -0.735   5.502  -4.738
  379   1HG   MET  51          1HG       MET  51  -0.183   6.681  -6.768
  380   2HG   MET  51          2HG       MET  51   0.701   7.923  -5.902
  381   1HE   MET  51          1HE       MET  51   0.931   5.837  -8.215
  382   2HE   MET  51          2HE       MET  51   2.707   5.800  -8.330
  383   3HE   MET  51          3HE       MET  51   1.815   4.335  -7.856
  384    H    ILE  52           H        ILE  52  -0.403   7.852  -1.856
  385    HA   ILE  52           HA       ILE  52  -2.071   6.037  -0.521
  386    HB   ILE  52           HB       ILE  52  -0.305   8.303   0.380
  387   1HG1  ILE  52          1HG1      ILE  52  -0.038   5.315   0.160
  388   2HG1  ILE  52          2HG1      ILE  52   1.030   6.570  -0.436
  389   1HG2  ILE  52          1HG2      ILE  52  -2.417   7.086   1.874
  390   2HG2  ILE  52          2HG2      ILE  52  -0.858   6.555   2.548
  391   3HG2  ILE  52          3HG2      ILE  52  -1.218   8.292   2.398
  392   1HD1  ILE  52          2HD1      ILE  52   1.083   7.122   2.256
  393   2HD1  ILE  52          3HD1      ILE  52   0.862   5.356   2.276
  394   3HD1  ILE  52          1HD1      ILE  52   2.258   6.068   1.432
  395    H    ASN  53           H        ASN  53  -2.386   9.471  -1.404
  396    HA   ASN  53           HA       ASN  53  -4.631   9.811   0.318
  397   1HB   ASN  53          1HB       ASN  53  -3.197  11.504  -1.756
  398   2HB   ASN  53          2HB       ASN  53  -4.786  12.003  -1.209
  399   1HD2  ASN  53          2HD2      ASN  53  -1.775  13.285   0.856
  400   2HD2  ASN  53          1HD2      ASN  53  -1.951  13.007  -0.845
  401    H    GLU  54           H        GLU  54  -4.003   8.369  -2.724
  402    HA   GLU  54           HA       GLU  54  -6.428   9.172  -3.987
  403   1HB   GLU  54          1HB       GLU  54  -4.197   7.234  -4.665
  404   2HB   GLU  54          2HB       GLU  54  -5.675   7.243  -5.607
  405   1HG   GLU  54          1HG       GLU  54  -4.972   9.977  -5.359
  406   2HG   GLU  54          2HG       GLU  54  -3.450   9.154  -5.636
  407    H    VAL  55           H        VAL  55  -5.525   6.901  -1.573
  408    HA   VAL  55           HA       VAL  55  -7.992   5.388  -2.087
  409    HB   VAL  55           HB       VAL  55  -6.509   3.692  -0.593
  410   1HG1  VAL  55          3HG1      VAL  55  -7.557   3.792  -3.178
  411   2HG1  VAL  55          1HG1      VAL  55  -5.849   3.348  -3.411
  412   3HG1  VAL  55          2HG1      VAL  55  -6.888   2.364  -2.353
  413   1HG2  VAL  55          2HG2      VAL  55  -4.546   5.233  -0.693
  414   2HG2  VAL  55          3HG2      VAL  55  -4.225   3.622  -1.379
  415   3HG2  VAL  55          1HG2      VAL  55  -4.508   5.008  -2.459
  416    H    ASP  56           H        ASP  56  -5.675   6.756   0.312
  417    HA   ASP  56           HA       ASP  56  -7.362   6.168   2.487
  418   1HB   ASP  56          1HB       ASP  56  -4.933   6.482   2.765
  419   2HB   ASP  56          2HB       ASP  56  -5.038   8.118   2.148
  420    H    ALA  57           H        ALA  57  -9.322   7.237   2.797
  421    HA   ALA  57           HA       ALA  57  -9.565   9.954   1.746
  422   1HB   ALA  57          1HB       ALA  57 -11.197   7.708   1.583
  423   2HB   ALA  57          2HB       ALA  57 -11.964   8.677   2.864
  424   3HB   ALA  57          3HB       ALA  57 -11.695   9.385   1.254
  425    H    ASP  58           H        ASP  58  -8.766   8.300   4.594
  426    HA   ASP  58           HA       ASP  58 -10.215   9.962   6.378
  427   1HB   ASP  58          1HB       ASP  58  -9.506   8.452   7.928
  428   2HB   ASP  58          2HB       ASP  58  -8.891   7.533   6.568
  429    H    GLY  59           H        GLY  59  -6.947   9.780   4.896
  430   1HA   GLY  59          1HA       GLY  59  -5.412  11.428   4.608
  431   2HA   GLY  59          2HA       GLY  59  -6.433  12.545   5.492
  432    H    ASN  60           H        ASN  60  -5.433   9.336   6.746
  433    HA   ASN  60           HA       ASN  60  -4.448  10.572   9.082
  434   1HB   ASN  60          1HB       ASN  60  -3.932   8.243   9.792
  435   2HB   ASN  60          2HB       ASN  60  -5.542   8.328   9.104
  436   1HD2  ASN  60          2HD2      ASN  60  -3.595   5.389   7.766
  437   2HD2  ASN  60          1HD2      ASN  60  -3.929   6.013   9.347
  438    H    GLY  61           H        GLY  61  -3.167   9.590   5.967
  439   1HA   GLY  61          1HA       GLY  61  -1.033  10.466   5.321
  440   2HA   GLY  61          2HA       GLY  61  -0.421  10.112   6.925
  441    H    THR  62           H        THR  62  -1.639   7.474   7.246
  442    HA   THR  62           HA       THR  62   0.083   6.004   5.376
  443    HB   THR  62           HB       THR  62  -0.246   4.215   7.246
  444    HG1  THR  62           HG1      THR  62  -1.847   4.992   8.582
  445   1HG2  THR  62          3HG2      THR  62   1.356   6.699   7.299
  446   2HG2  THR  62          1HG2      THR  62   0.979   6.100   8.932
  447   3HG2  THR  62          2HG2      THR  62   1.826   5.049   7.772
  448    H    ILE  63           H        ILE  63  -0.836   3.557   5.211
  449    HA   ILE  63           HA       ILE  63  -3.624   3.880   4.340
  450    HB   ILE  63           HB       ILE  63  -1.352   2.404   3.012
  451   1HG1  ILE  63          1HG1      ILE  63  -2.038   5.039   2.791
  452   2HG1  ILE  63          2HG1      ILE  63  -1.209   4.104   1.563
  453   1HG2  ILE  63          1HG2      ILE  63  -4.328   2.266   2.544
  454   2HG2  ILE  63          2HG2      ILE  63  -3.151   1.909   1.258
  455   3HG2  ILE  63          3HG2      ILE  63  -3.160   0.939   2.750
  456   1HD1  ILE  63          3HD1      ILE  63  -4.239   4.092   1.685
  457   2HD1  ILE  63          1HD1      ILE  63  -3.369   5.425   0.890
  458   3HD1  ILE  63          2HD1      ILE  63  -3.177   3.758   0.296
  459    H    ASP  64           H        ASP  64  -5.050   2.146   4.747
  460    HA   ASP  64           HA       ASP  64  -3.954   0.269   6.683
  461   1HB   ASP  64          1HB       ASP  64  -6.858   1.078   6.181
  462   2HB   ASP  64          2HB       ASP  64  -6.308   0.010   7.457
  463    H    PHE  65           H        PHE  65  -5.982  -1.696   6.625
  464    HA   PHE  65           HA       PHE  65  -5.381  -3.010   4.163
  465   1HB   PHE  65          1HB       PHE  65  -5.510  -4.260   6.275
  466   2HB   PHE  65          2HB       PHE  65  -7.061  -3.548   6.672
  467    HD1  PHE  65           HD2      PHE  65  -5.566  -5.569   3.902
  468    HD2  PHE  65           HD1      PHE  65  -8.899  -4.909   6.444
  469    HE1  PHE  65           HE2      PHE  65  -6.733  -7.544   2.884
  470    HE2  PHE  65           HE1      PHE  65 -10.067  -6.883   5.425
  471    HZ   PHE  65           HZ       PHE  65  -8.970  -8.177   3.657
  472    HA   PRO  66           HA       PRO  66 -10.035  -2.246   3.614
  473   1HB   PRO  66          1HB       PRO  66 -11.265  -0.338   5.137
  474   2HB   PRO  66          2HB       PRO  66 -11.303  -2.046   5.526
  475   1HG   PRO  66          1HG       PRO  66  -9.730   0.110   6.797
  476   2HG   PRO  66          2HG       PRO  66 -10.110  -1.484   7.419
  477   1HD   PRO  66          1HD       PRO  66  -7.607  -0.625   6.313
  478   2HD   PRO  66          2HD       PRO  66  -8.023  -2.247   6.827
  479    H    GLU  67           H        GLU  67  -7.807   0.276   4.172
  480    HA   GLU  67           HA       GLU  67  -9.176   2.019   2.356
  481   1HB   GLU  67          1HB       GLU  67  -6.374   2.385   3.483
  482   2HB   GLU  67          2HB       GLU  67  -7.459   3.626   2.887
  483   1HG   GLU  67          1HG       GLU  67  -8.553   1.945   5.103
  484   2HG   GLU  67          2HG       GLU  67  -7.191   2.958   5.541
  485    H    PHE  68           H        PHE  68  -6.646  -0.435   2.321
  486    HA   PHE  68           HA       PHE  68  -5.611   0.458  -0.222
  487   1HB   PHE  68          1HB       PHE  68  -3.915  -0.543   1.074
  488   2HB   PHE  68          2HB       PHE  68  -5.051  -1.551   1.947
  489    HD1  PHE  68           HD1      PHE  68  -5.932  -3.635   0.829
  490    HD2  PHE  68           HD2      PHE  68  -2.704  -1.392  -0.768
  491    HE1  PHE  68           HE1      PHE  68  -5.247  -5.610  -0.560
  492    HE2  PHE  68           HE2      PHE  68  -2.018  -3.367  -2.157
  493    HZ   PHE  68           HZ       PHE  68  -3.298  -5.452  -2.037
  494    H    LEU  69           H        LEU  69  -7.916  -1.902   1.102
  495    HA   LEU  69           HA       LEU  69  -8.034  -3.777  -0.851
  496   1HB   LEU  69          1HB       LEU  69 -10.099  -2.510   0.910
  497   2HB   LEU  69          2HB       LEU  69 -10.590  -3.680  -0.298
  498    HG   LEU  69           HG       LEU  69  -8.372  -4.393   1.592
  499   1HD1  LEU  69          3HD1      LEU  69 -11.001  -3.623   2.451
  500   2HD1  LEU  69          1HD1      LEU  69 -10.775  -5.369   2.716
  501   3HD1  LEU  69          2HD1      LEU  69  -9.621  -4.206   3.413
  502   1HD2  LEU  69          3HD2      LEU  69  -9.056  -5.823  -0.374
  503   2HD2  LEU  69          1HD2      LEU  69  -9.070  -6.627   1.214
  504   3HD2  LEU  69          2HD2      LEU  69 -10.599  -6.102   0.469
  505    H    THR  70           H        THR  70  -9.844  -0.624  -0.825
  506    HA   THR  70           HA       THR  70 -11.146  -0.781  -3.178
  507    HB   THR  70           HB       THR  70 -11.150   1.126  -1.523
  508    HG1  THR  70           HG1      THR  70 -11.949   1.365  -3.744
  509   1HG2  THR  70          1HG2      THR  70  -8.530   1.292  -1.524
  510   2HG2  THR  70          2HG2      THR  70  -8.734   2.163  -3.063
  511   3HG2  THR  70          3HG2      THR  70  -9.452   2.813  -1.570
  512    H    MET  71           H        MET  71  -7.664   0.137  -2.811
  513    HA   MET  71           HA       MET  71  -7.151   0.684  -5.408
  514   1HB   MET  71          1HB       MET  71  -5.694   0.113  -3.003
  515   2HB   MET  71          2HB       MET  71  -4.988  -0.916  -4.233
  516   1HG   MET  71          1HG       MET  71  -5.439   1.725  -5.363
  517   2HG   MET  71          2HG       MET  71  -4.572   1.895  -3.849
  518   1HE   MET  71          2HE       MET  71  -2.787   2.759  -4.482
  519   2HE   MET  71          3HE       MET  71  -1.378   1.671  -4.505
  520   3HE   MET  71          1HE       MET  71  -1.900   2.482  -6.001
  521    H    MET  72           H        MET  72  -7.417  -2.526  -3.816
  522    HA   MET  72           HA       MET  72  -6.445  -3.944  -6.038
  523   1HB   MET  72          1HB       MET  72  -8.246  -4.803  -3.704
  524   2HB   MET  72          2HB       MET  72  -7.426  -5.917  -4.781
  525   1HG   MET  72          1HG       MET  72  -5.523  -3.967  -3.715
  526   2HG   MET  72          2HG       MET  72  -6.386  -4.746  -2.404
  527   1HE   MET  72          3HE       MET  72  -4.685  -5.208  -5.734
  528   2HE   MET  72          1HE       MET  72  -3.262  -5.197  -4.665
  529   3HE   MET  72          2HE       MET  72  -3.697  -6.677  -5.553
  530    H    ALA  73           H        ALA  73  -9.650  -2.767  -5.006
  531    HA   ALA  73           HA       ALA  73 -11.083  -4.376  -6.879
  532   1HB   ALA  73          3HB       ALA  73 -11.777  -3.163  -4.601
  533   2HB   ALA  73          1HB       ALA  73 -12.194  -1.842  -5.718
  534   3HB   ALA  73          2HB       ALA  73 -12.956  -3.439  -5.906
  535    H    ARG  74           H        ARG  74  -9.709  -1.058  -6.757
  536    HA   ARG  74           HA       ARG  74 -10.835  -0.502  -9.333
  537   1HB   ARG  74          1HB       ARG  74  -9.569   1.718  -9.006
  538   2HB   ARG  74          2HB       ARG  74 -10.818   1.374  -7.826
  539   1HG   ARG  74          1HG       ARG  74  -9.317   1.320  -6.118
  540   2HG   ARG  74          2HG       ARG  74  -8.272   0.208  -6.978
  541   1HD   ARG  74          1HD       ARG  74  -7.035   2.279  -6.581
  542   2HD   ARG  74          2HD       ARG  74  -7.339   2.140  -8.302
  543    HE   ARG  74           HE       ARG  74  -8.639   4.073  -8.183
  544   1HH1  ARG  74          2HH2      ARG  74  -8.434   2.657  -4.968
  545   2HH1  ARG  74          1HH2      ARG  74  -9.273   3.964  -4.200
  546   1HH2  ARG  74          2HH1      ARG  74  -9.746   5.797  -7.170
  547   2HH2  ARG  74          1HH1      ARG  74 -10.024   5.761  -5.461
  548    H    LYS  75           H        LYS  75  -9.030  -2.741  -9.293
  549    HA   LYS  75           HA       LYS  75  -6.558  -1.665 -10.413
  550   1HB   LYS  75          1HB       LYS  75  -7.335  -4.135  -8.996
  551   2HB   LYS  75          2HB       LYS  75  -6.261  -4.389 -10.356
  552   1HG   LYS  75          1HG       LYS  75  -5.381  -2.060  -8.839
  553   2HG   LYS  75          2HG       LYS  75  -5.577  -3.425  -7.757
  554   1HD   LYS  75          1HD       LYS  75  -3.344  -3.642  -8.535
  555   2HD   LYS  75          2HD       LYS  75  -4.234  -4.804  -9.499
  556   1HE   LYS  75          1HE       LYS  75  -2.946  -3.670 -11.123
  557   2HE   LYS  75          2HE       LYS  75  -4.497  -2.865 -11.241
  558   1HZ   LYS  75          2HZ       LYS  75  -3.258  -1.465  -9.330
  559   2HZ   LYS  75          3HZ       LYS  75  -2.007  -1.843 -10.309
  560   3HZ   LYS  75          1HZ       LYS  75  -3.301  -1.045 -10.907
   
  No H/Q in entry =         560
  Start of MODEL   18
    1    H    MET   0           H        MET   0 -22.811 -29.683  -3.483
    2    HA   MET   0           HA       MET   0 -21.599 -27.945  -4.393
    3   1HB   MET   0          1HB       MET   0 -23.319 -29.070  -5.922
    4   2HB   MET   0          2HB       MET   0 -24.423 -27.752  -5.580
    5   1HG   MET   0          1HG       MET   0 -22.161 -26.350  -6.330
    6   2HG   MET   0          2HG       MET   0 -21.997 -27.788  -7.316
    7   1HE   MET   0          2HE       MET   0 -23.211 -24.496  -6.959
    8   2HE   MET   0          3HE       MET   0 -24.667 -24.285  -7.961
    9   3HE   MET   0          1HE       MET   0 -24.806 -24.966  -6.323
   10    H    ALA   1           H        ALA   1 -20.960 -25.857  -4.033
   11    HA   ALA   1           HA       ALA   1 -22.462 -23.618  -4.160
   12   1HB   ALA   1          3HB       ALA   1 -23.006 -25.104  -1.687
   13   2HB   ALA   1          1HB       ALA   1 -22.446 -23.442  -1.380
   14   3HB   ALA   1          2HB       ALA   1 -23.875 -23.725  -2.403
   15    H    ASP   2           H        ASP   2 -21.362 -21.728  -2.822
   16    HA   ASP   2           HA       ASP   2 -18.589 -22.447  -2.346
   17   1HB   ASP   2          1HB       ASP   2 -19.328 -21.240  -4.681
   18   2HB   ASP   2          2HB       ASP   2 -19.152 -19.815  -3.677
   19    H    GLN   3           H        GLN   3 -17.753 -19.670  -1.924
   20    HA   GLN   3           HA       GLN   3 -19.630 -18.492  -0.137
   21   1HB   GLN   3          1HB       GLN   3 -18.372 -20.385   1.154
   22   2HB   GLN   3          2HB       GLN   3 -16.981 -19.320   1.092
   23   1HG   GLN   3          1HG       GLN   3 -17.967 -18.694   3.131
   24   2HG   GLN   3          2HG       GLN   3 -18.620 -17.490   2.039
   25   1HE2  GLN   3          2HE2      GLN   3 -21.754 -18.240   3.372
   26   2HE2  GLN   3          1HE2      GLN   3 -20.441 -17.119   3.226
   27    H    LEU   4           H        LEU   4 -19.442 -16.326  -0.500
   28    HA   LEU   4           HA       LEU   4 -16.808 -15.367  -1.373
   29   1HB   LEU   4          1HB       LEU   4 -18.009 -13.588  -2.528
   30   2HB   LEU   4          2HB       LEU   4 -18.443 -15.182  -3.111
   31    HG   LEU   4           HG       LEU   4 -20.295 -14.436  -1.048
   32   1HD1  LEU   4          3HD1      LEU   4 -19.379 -12.119  -1.922
   33   2HD1  LEU   4          1HD1      LEU   4 -20.486 -12.451  -3.276
   34   3HD1  LEU   4          2HD1      LEU   4 -21.113 -12.375  -1.612
   35   1HD2  LEU   4          2HD2      LEU   4 -20.588 -14.830  -4.038
   36   2HD2  LEU   4          3HD2      LEU   4 -20.777 -16.062  -2.767
   37   3HD2  LEU   4          1HD2      LEU   4 -21.935 -14.715  -2.881
   38    H    THR   5           H        THR   5 -17.722 -12.548  -1.026
   39    HA   THR   5           HA       THR   5 -17.722 -10.953   0.524
   40    HB   THR   5           HB       THR   5 -19.211 -11.233   2.307
   41    HG1  THR   5           HG1      THR   5 -18.713 -12.843   3.770
   42   1HG2  THR   5          2HG2      THR   5 -19.991 -12.689   0.131
   43   2HG2  THR   5          3HG2      THR   5 -19.853 -14.000   1.327
   44   3HG2  THR   5          1HG2      THR   5 -20.946 -12.629   1.632
   45    H    GLU   6           H        GLU   6 -17.155 -11.334   3.434
   46    HA   GLU   6           HA       GLU   6 -14.622 -10.733   3.567
   47   1HB   GLU   6          1HB       GLU   6 -16.085 -12.632   5.450
   48   2HB   GLU   6          2HB       GLU   6 -14.554 -11.874   5.840
   49   1HG   GLU   6          1HG       GLU   6 -15.654  -9.610   5.407
   50   2HG   GLU   6          2HG       GLU   6 -17.184 -10.447   5.234
   51    H    GLU   7           H        GLU   7 -15.814 -14.158   3.467
   52    HA   GLU   7           HA       GLU   7 -13.605 -15.549   3.792
   53   1HB   GLU   7          1HB       GLU   7 -15.664 -15.953   1.579
   54   2HB   GLU   7          2HB       GLU   7 -14.506 -17.174   2.069
   55   1HG   GLU   7          1HG       GLU   7 -15.962 -16.016   4.366
   56   2HG   GLU   7          2HG       GLU   7 -17.037 -16.761   3.199
   57    H    GLN   8           H        GLN   8 -14.446 -13.693   0.818
   58    HA   GLN   8           HA       GLN   8 -12.161 -14.594  -0.571
   59   1HB   GLN   8          1HB       GLN   8 -14.534 -13.208  -1.198
   60   2HB   GLN   8          2HB       GLN   8 -13.263 -12.044  -1.517
   61   1HG   GLN   8          1HG       GLN   8 -12.507 -13.196  -3.339
   62   2HG   GLN   8          2HG       GLN   8 -12.565 -14.735  -2.503
   63   1HE2  GLN   8          2HE2      GLN   8 -15.302 -15.827  -4.289
   64   2HE2  GLN   8          1HE2      GLN   8 -13.778 -16.121  -3.521
   65    H    ILE   9           H        ILE   9 -13.075 -11.523   1.129
   66    HA   ILE   9           HA       ILE   9 -10.758 -10.121   0.601
   67    HB   ILE   9           HB       ILE   9 -13.084  -9.635   1.880
   68   1HG1  ILE   9          1HG1      ILE   9 -11.695  -7.477   2.679
   69   2HG1  ILE   9          2HG1      ILE   9 -10.511  -8.160   1.583
   70   1HG2  ILE   9          3HG2      ILE   9 -10.972  -9.822   4.043
   71   2HG2  ILE   9          1HG2      ILE   9 -12.528  -8.974   4.213
   72   3HG2  ILE   9          2HG2      ILE   9 -12.498 -10.733   3.936
   73   1HD1  ILE   9          3HD1      ILE   9 -13.047  -8.362   0.267
   74   2HD1  ILE   9          1HD1      ILE   9 -12.931  -6.719   0.942
   75   3HD1  ILE   9          2HD1      ILE   9 -11.672  -7.318  -0.165
   76    H    ALA  10           H        ALA  10 -11.523 -12.436   3.270
   77    HA   ALA  10           HA       ALA  10  -9.423 -12.208   4.888
   78   1HB   ALA  10          3HB       ALA  10 -11.374 -14.053   4.502
   79   2HB   ALA  10          1HB       ALA  10  -9.960 -14.992   3.966
   80   3HB   ALA  10          2HB       ALA  10 -10.000 -14.302   5.606
   81    H    GLU  11           H        GLU  11  -9.376 -13.539   1.555
   82    HA   GLU  11           HA       GLU  11  -6.724 -14.447   1.749
   83   1HB   GLU  11          1HB       GLU  11  -8.342 -13.742  -0.739
   84   2HB   GLU  11          2HB       GLU  11  -6.889 -14.721  -0.706
   85   1HG   GLU  11          1HG       GLU  11  -7.985 -16.467   0.581
   86   2HG   GLU  11          2HG       GLU  11  -9.374 -15.448   0.904
   87    H    PHE  12           H        PHE  12  -8.272 -11.507   0.288
   88    HA   PHE  12           HA       PHE  12  -6.104 -10.315  -0.800
   89   1HB   PHE  12          1HB       PHE  12  -8.541  -9.353   0.773
   90   2HB   PHE  12          2HB       PHE  12  -7.405  -8.167   0.162
   91    HD1  PHE  12           HD2      PHE  12  -9.686 -10.893  -0.880
   92    HD2  PHE  12           HD1      PHE  12  -7.459  -7.491  -2.095
   93    HE1  PHE  12           HE2      PHE  12 -10.841 -10.932  -3.108
   94    HE2  PHE  12           HE1      PHE  12  -8.615  -7.530  -4.323
   95    HZ   PHE  12           HZ       PHE  12 -10.292  -9.250  -4.803
   96    H    LYS  13           H        LYS  13  -6.892 -10.673   2.656
   97    HA   LYS  13           HA       LYS  13  -5.497  -8.739   3.864
   98   1HB   LYS  13          1HB       LYS  13  -5.730 -11.676   4.531
   99   2HB   LYS  13          2HB       LYS  13  -4.908 -10.552   5.594
  100   1HG   LYS  13          1HG       LYS  13  -7.148  -9.105   5.229
  101   2HG   LYS  13          2HG       LYS  13  -7.831 -10.675   4.853
  102   1HD   LYS  13          1HD       LYS  13  -6.224 -11.013   7.209
  103   2HD   LYS  13          2HD       LYS  13  -7.176  -9.561   7.450
  104   1HE   LYS  13          1HE       LYS  13  -8.700 -11.156   8.196
  105   2HE   LYS  13          2HE       LYS  13  -9.168 -11.072   6.510
  106   1HZ   LYS  13          1HZ       LYS  13  -7.465 -12.911   6.210
  107   2HZ   LYS  13          2HZ       LYS  13  -7.547 -13.109   7.829
  108   3HZ   LYS  13          3HZ       LYS  13  -8.885 -13.303   6.914
  109    H    GLU  14           H        GLU  14  -4.004 -11.871   2.771
  110    HA   GLU  14           HA       GLU  14  -1.444 -11.236   3.392
  111   1HB   GLU  14          1HB       GLU  14  -2.500 -12.872   1.045
  112   2HB   GLU  14          2HB       GLU  14  -0.822 -12.870   1.552
  113   1HG   GLU  14          1HG       GLU  14  -1.966 -13.388   3.959
  114   2HG   GLU  14          2HG       GLU  14  -3.225 -14.041   2.929
  115    H    ALA  15           H        ALA  15  -3.334 -10.375   0.449
  116    HA   ALA  15           HA       ALA  15  -1.349  -9.408  -1.152
  117   1HB   ALA  15          2HB       ALA  15  -4.046  -9.544  -1.268
  118   2HB   ALA  15          3HB       ALA  15  -3.858  -7.802  -0.956
  119   3HB   ALA  15          1HB       ALA  15  -3.080  -8.541  -2.376
  120    H    PHE  16           H        PHE  16  -3.229  -7.551   1.348
  121    HA   PHE  16           HA       PHE  16  -1.935  -5.163   1.080
  122   1HB   PHE  16          1HB       PHE  16  -3.949  -5.836   2.533
  123   2HB   PHE  16          2HB       PHE  16  -2.835  -6.603   3.647
  124    HD1  PHE  16           HD2      PHE  16  -3.835  -3.342   2.218
  125    HD2  PHE  16           HD1      PHE  16  -1.685  -5.338   5.284
  126    HE1  PHE  16           HE2      PHE  16  -3.566  -1.169   3.445
  127    HE2  PHE  16           HE1      PHE  16  -1.416  -3.165   6.511
  128    HZ   PHE  16           HZ       PHE  16  -2.360  -1.106   5.576
  129    H    SER  17           H        SER  17  -0.856  -8.143   2.735
  130    HA   SER  17           HA       SER  17   1.118  -7.057   4.289
  131   1HB   SER  17          1HB       SER  17   1.496  -9.708   2.873
  132   2HB   SER  17          2HB       SER  17   1.950  -9.269   4.508
  133    HG   SER  17           HG       SER  17  -0.138  -9.496   5.213
  134    H    LEU  18           H        LEU  18   1.291  -8.337   0.891
  135    HA   LEU  18           HA       LEU  18   3.888  -8.116   0.326
  136   1HB   LEU  18          1HB       LEU  18   1.400  -7.945  -1.140
  137   2HB   LEU  18          2HB       LEU  18   2.627  -6.936  -1.879
  138    HG   LEU  18           HG       LEU  18   4.054  -9.221  -1.472
  139   1HD1  LEU  18          2HD1      LEU  18   1.443 -10.034  -0.933
  140   2HD1  LEU  18          3HD1      LEU  18   1.747 -10.578  -2.600
  141   3HD1  LEU  18          1HD1      LEU  18   2.842 -11.076  -1.287
  142   1HD2  LEU  18          1HD2      LEU  18   3.687  -7.764  -3.548
  143   2HD2  LEU  18          2HD2      LEU  18   4.011  -9.497  -3.797
  144   3HD2  LEU  18          3HD2      LEU  18   2.350  -8.873  -3.936
  145    H    PHE  19           H        PHE  19   1.555  -5.334   0.203
  146    HA   PHE  19           HA       PHE  19   3.630  -3.467  -0.277
  147   1HB   PHE  19          1HB       PHE  19   0.704  -3.402   0.641
  148   2HB   PHE  19          2HB       PHE  19   1.615  -1.915   0.466
  149    HD1  PHE  19           HD1      PHE  19   2.633  -1.413  -1.832
  150    HD2  PHE  19           HD2      PHE  19  -0.336  -4.381  -1.214
  151    HE1  PHE  19           HE1      PHE  19   2.063  -1.351  -4.275
  152    HE2  PHE  19           HE2      PHE  19  -0.907  -4.319  -3.657
  153    HZ   PHE  19           HZ       PHE  19   0.300  -2.805  -5.159
  154    H    ASP  20           H        ASP  20   1.718  -4.458   2.634
  155    HA   ASP  20           HA       ASP  20   3.147  -2.596   4.247
  156   1HB   ASP  20          1HB       ASP  20   0.845  -3.070   4.836
  157   2HB   ASP  20          2HB       ASP  20   1.123  -4.800   4.814
  158    H    LYS  21           H        LYS  21   5.369  -3.221   4.331
  159    HA   LYS  21           HA       LYS  21   6.172  -5.919   4.520
  160   1HB   LYS  21          1HB       LYS  21   7.467  -3.901   3.613
  161   2HB   LYS  21          2HB       LYS  21   7.819  -3.502   5.282
  162   1HG   LYS  21          1HG       LYS  21   8.417  -6.219   5.208
  163   2HG   LYS  21          2HG       LYS  21   8.892  -5.703   3.601
  164   1HD   LYS  21          1HD       LYS  21  10.363  -3.968   4.522
  165   2HD   LYS  21          2HD       LYS  21   9.777  -4.267   6.146
  166   1HE   LYS  21          1HE       LYS  21  10.600  -6.770   5.626
  167   2HE   LYS  21          2HE       LYS  21  11.615  -5.961   4.449
  168   1HZ   LYS  21          3HZ       LYS  21  11.694  -4.572   6.875
  169   2HZ   LYS  21          1HZ       LYS  21  12.034  -6.146   7.151
  170   3HZ   LYS  21          2HZ       LYS  21  12.919  -5.296   6.072
  171    H    ASP  22           H        ASP  22   6.283  -3.217   6.955
  172    HA   ASP  22           HA       ASP  22   7.082  -4.667   9.067
  173   1HB   ASP  22          1HB       ASP  22   5.503  -3.019  10.399
  174   2HB   ASP  22          2HB       ASP  22   6.865  -2.380   9.501
  175    H    GLY  23           H        GLY  23   4.026  -4.784   7.334
  176   1HA   GLY  23          1HA       GLY  23   2.158  -6.006   7.581
  177   2HA   GLY  23          2HA       GLY  23   3.110  -7.109   8.554
  178    H    ASP  24           H        ASP  24   3.077  -3.815   9.706
  179    HA   ASP  24           HA       ASP  24   1.997  -4.531  12.129
  180   1HB   ASP  24          1HB       ASP  24   1.851  -2.086  12.548
  181   2HB   ASP  24          2HB       ASP  24   3.378  -2.520  11.807
  182    H    GLY  25           H        GLY  25   0.553  -3.535   9.048
  183   1HA   GLY  25          1HA       GLY  25  -1.781  -4.280   8.798
  184   2HA   GLY  25          2HA       GLY  25  -2.120  -3.476  10.319
  185    H    THR  26           H        THR  26   0.284  -1.761   8.565
  186    HA   THR  26           HA       THR  26  -1.694  -0.141   7.141
  187    HB   THR  26           HB       THR  26  -0.372   1.882   8.179
  188    HG1  THR  26           HG1      THR  26   1.160   1.099   9.568
  189   1HG2  THR  26          3HG2      THR  26  -2.733   0.668   8.976
  190   2HG2  THR  26          1HG2      THR  26  -1.748   0.526  10.452
  191   3HG2  THR  26          2HG2      THR  26  -2.057   2.128   9.739
  192    H    ILE  27           H        ILE  27  -0.813   1.158   5.428
  193    HA   ILE  27           HA       ILE  27   1.881   0.272   4.660
  194    HB   ILE  27           HB       ILE  27  -0.569   0.596   2.927
  195   1HG1  ILE  27          1HG1      ILE  27   1.128  -1.866   3.410
  196   2HG1  ILE  27          2HG1      ILE  27  -0.331  -1.508   4.313
  197   1HG2  ILE  27          2HG2      ILE  27   1.688   1.436   1.989
  198   2HG2  ILE  27          3HG2      ILE  27   2.131  -0.287   1.932
  199   3HG2  ILE  27          1HG2      ILE  27   0.722   0.300   1.016
  200   1HD1  ILE  27          1HD1      ILE  27  -0.181  -1.767   1.274
  201   2HD1  ILE  27          2HD1      ILE  27  -0.790  -3.016   2.386
  202   3HD1  ILE  27          3HD1      ILE  27  -1.657  -1.470   2.222
  203    H    THR  28           H        THR  28   3.155   2.016   5.072
  204    HA   THR  28           HA       THR  28   2.107   4.678   4.786
  205    HB   THR  28           HB       THR  28   3.705   3.999   6.593
  206    HG1  THR  28           HG1      THR  28   3.910   6.182   6.034
  207   1HG2  THR  28          2HG2      THR  28   5.413   3.341   4.174
  208   2HG2  THR  28          3HG2      THR  28   6.196   3.986   5.636
  209   3HG2  THR  28          1HG2      THR  28   5.276   2.465   5.717
  210    H    THR  29           H        THR  29   4.688   5.784   3.789
  211    HA   THR  29           HA       THR  29   3.988   5.630   0.991
  212    HB   THR  29           HB       THR  29   5.999   7.375   1.031
  213    HG1  THR  29           HG1      THR  29   6.807   7.129   3.111
  214   1HG2  THR  29          1HG2      THR  29   3.370   7.823   1.091
  215   2HG2  THR  29          2HG2      THR  29   3.677   8.189   2.805
  216   3HG2  THR  29          3HG2      THR  29   4.495   9.129   1.534
  217    H    LYS  30           H        LYS  30   6.997   5.075   2.944
  218    HA   LYS  30           HA       LYS  30   8.520   4.109   0.868
  219   1HB   LYS  30          1HB       LYS  30   9.038   4.676   3.396
  220   2HB   LYS  30          2HB       LYS  30   8.791   2.957   3.625
  221   1HG   LYS  30          1HG       LYS  30  10.603   2.367   2.218
  222   2HG   LYS  30          2HG       LYS  30  10.576   3.899   1.367
  223   1HD   LYS  30          1HD       LYS  30  11.511   5.077   3.283
  224   2HD   LYS  30          2HD       LYS  30  11.301   3.681   4.322
  225   1HE   LYS  30          1HE       LYS  30  13.137   2.555   3.429
  226   2HE   LYS  30          2HE       LYS  30  12.949   3.272   1.842
  227   1HZ   LYS  30          1HZ       LYS  30  13.632   5.403   2.955
  228   2HZ   LYS  30          2HZ       LYS  30  14.102   4.502   4.234
  229   3HZ   LYS  30          3HZ       LYS  30  14.801   4.277   2.775
  230    H    GLU  31           H        GLU  31   6.638   2.151   3.290
  231    HA   GLU  31           HA       GLU  31   7.078  -0.269   2.169
  232   1HB   GLU  31          1HB       GLU  31   4.532   0.744   3.510
  233   2HB   GLU  31          2HB       GLU  31   4.902  -0.948   3.243
  234   1HG   GLU  31          1HG       GLU  31   6.764  -0.906   4.747
  235   2HG   GLU  31          2HG       GLU  31   6.864   0.843   4.718
  236    H    LEU  32           H        LEU  32   5.177   2.389   0.915
  237    HA   LEU  32           HA       LEU  32   3.689   0.671  -0.883
  238   1HB   LEU  32          1HB       LEU  32   2.749   2.696   0.310
  239   2HB   LEU  32          2HB       LEU  32   3.729   3.684  -0.755
  240    HG   LEU  32           HG       LEU  32   2.351   1.967  -2.484
  241   1HD1  LEU  32          1HD1      LEU  32   0.679   2.683  -0.100
  242   2HD1  LEU  32          2HD1      LEU  32  -0.061   2.628  -1.718
  243   3HD1  LEU  32          3HD1      LEU  32   0.729   1.179  -1.052
  244   1HD2  LEU  32          3HD2      LEU  32   2.494   4.818  -1.852
  245   2HD2  LEU  32          1HD2      LEU  32   2.423   3.988  -3.425
  246   3HD2  LEU  32          2HD2      LEU  32   0.923   4.327  -2.529
  247    H    GLY  33           H        GLY  33   6.527   2.822  -0.810
  248   1HA   GLY  33          1HA       GLY  33   6.821   2.742  -3.701
  249   2HA   GLY  33          2HA       GLY  33   7.841   3.568  -2.541
  250    H    THR  34           H        THR  34   7.402   0.579  -1.160
  251    HA   THR  34           HA       THR  34  10.004  -0.305  -2.049
  252    HB   THR  34           HB       THR  34   8.084  -0.799   0.188
  253    HG1  THR  34           HG1      THR  34  10.984  -1.011  -0.216
  254   1HG2  THR  34          1HG2      THR  34   9.874  -2.964  -0.999
  255   2HG2  THR  34          2HG2      THR  34   9.549  -2.895   0.749
  256   3HG2  THR  34          3HG2      THR  34   8.206  -3.123  -0.397
  257    H    VAL  35           H        VAL  35   6.825  -2.031  -1.740
  258    HA   VAL  35           HA       VAL  35   7.420  -4.193  -3.229
  259    HB   VAL  35           HB       VAL  35   4.955  -2.611  -2.710
  260   1HG1  VAL  35          1HG1      VAL  35   5.092  -4.863  -4.741
  261   2HG1  VAL  35          2HG1      VAL  35   3.589  -4.245  -4.014
  262   3HG1  VAL  35          3HG1      VAL  35   4.590  -3.180  -5.030
  263   1HG2  VAL  35          2HG2      VAL  35   6.058  -5.323  -2.048
  264   2HG2  VAL  35          3HG2      VAL  35   5.377  -4.076  -0.976
  265   3HG2  VAL  35          1HG2      VAL  35   4.298  -5.061  -1.994
  266    H    MET  36           H        MET  36   7.020  -0.863  -4.339
  267    HA   MET  36           HA       MET  36   6.512  -1.442  -7.011
  268   1HB   MET  36          1HB       MET  36   7.887   0.931  -5.636
  269   2HB   MET  36          2HB       MET  36   7.417   0.947  -7.324
  270   1HG   MET  36          1HG       MET  36   5.156   0.063  -5.717
  271   2HG   MET  36          2HG       MET  36   5.786   1.557  -5.050
  272   1HE   MET  36          1HE       MET  36   2.995   1.656  -5.997
  273   2HE   MET  36          2HE       MET  36   2.652   1.976  -7.714
  274   3HE   MET  36          3HE       MET  36   3.152   0.348  -7.195
  275    H    ARG  37           H        ARG  37   9.581  -0.877  -5.182
  276    HA   ARG  37           HA       ARG  37  11.193  -1.003  -7.449
  277   1HB   ARG  37          1HB       ARG  37  11.927  -1.650  -4.549
  278   2HB   ARG  37          2HB       ARG  37  13.062  -1.239  -5.819
  279   1HG   ARG  37          1HG       ARG  37  12.174   1.018  -6.004
  280   2HG   ARG  37          2HG       ARG  37  10.798   0.629  -4.991
  281   1HD   ARG  37          1HD       ARG  37  13.224  -0.023  -3.538
  282   2HD   ARG  37          2HD       ARG  37  13.373   1.605  -4.169
  283    HE   ARG  37           HE       ARG  37  10.754   1.204  -3.001
  284   1HH1  ARG  37          2HH2      ARG  37  14.123   1.773  -2.160
  285   2HH1  ARG  37          1HH2      ARG  37  13.751   2.522  -0.643
  286   1HH2  ARG  37          2HH1      ARG  37  10.263   2.193  -1.000
  287   2HH2  ARG  37          1HH1      ARG  37  11.541   2.762   0.021
  288    H    SER  38           H        SER  38   9.446  -3.406  -5.685
  289    HA   SER  38           HA       SER  38  11.281  -5.495  -6.496
  290   1HB   SER  38          1HB       SER  38   9.099  -5.232  -4.468
  291   2HB   SER  38          2HB       SER  38   9.261  -6.813  -5.208
  292    HG   SER  38           HG       SER  38  11.753  -6.157  -4.652
  293    H    LEU  39           H        LEU  39   9.288  -3.765  -8.204
  294    HA   LEU  39           HA       LEU  39   8.150  -6.075  -9.591
  295   1HB   LEU  39          1HB       LEU  39   6.517  -4.733  -8.063
  296   2HB   LEU  39          2HB       LEU  39   6.583  -3.532  -9.338
  297    HG   LEU  39           HG       LEU  39   6.105  -6.045 -10.588
  298   1HD1  LEU  39          2HD1      LEU  39   4.393  -5.569  -8.140
  299   2HD1  LEU  39          3HD1      LEU  39   3.904  -6.603  -9.504
  300   3HD1  LEU  39          1HD1      LEU  39   5.350  -7.013  -8.550
  301   1HD2  LEU  39          3HD2      LEU  39   5.335  -3.487 -10.936
  302   2HD2  LEU  39          1HD2      LEU  39   4.523  -4.876 -11.696
  303   3HD2  LEU  39          2HD2      LEU  39   3.853  -4.155 -10.213
  304    H    GLY  40           H        GLY  40   9.011  -2.564  -9.636
  305   1HA   GLY  40          1HA       GLY  40  10.747  -2.300 -11.528
  306   2HA   GLY  40          2HA       GLY  40   9.394  -2.751 -12.547
  307    H    GLN  41           H        GLN  41   9.389  -0.754  -9.526
  308    HA   GLN  41           HA       GLN  41   8.772   1.552 -11.167
  309   1HB   GLN  41          1HB       GLN  41   6.963   0.268  -9.139
  310   2HB   GLN  41          2HB       GLN  41   6.992   2.019  -9.197
  311   1HG   GLN  41          1HG       GLN  41   6.143   2.106 -11.390
  312   2HG   GLN  41          2HG       GLN  41   6.746   0.514 -11.803
  313   1HE2  GLN  41          2HE2      GLN  41   3.194   1.006  -9.730
  314   2HE2  GLN  41          1HE2      GLN  41   4.418   2.232  -9.765
  315    H    ASN  42           H        ASN  42   8.438   3.532  -9.379
  316    HA   ASN  42           HA       ASN  42   9.804   3.380  -7.016
  317   1HB   ASN  42          1HB       ASN  42  11.822   2.925  -8.448
  318   2HB   ASN  42          2HB       ASN  42  11.543   4.421  -9.316
  319   1HD2  ASN  42          2HD2      ASN  42  14.125   4.855  -6.615
  320   2HD2  ASN  42          1HD2      ASN  42  13.890   3.739  -7.919
  321    HA   PRO  43           HA       PRO  43   7.675   7.249  -8.343
  322   1HB   PRO  43          1HB       PRO  43   5.465   7.083  -6.744
  323   2HB   PRO  43          2HB       PRO  43   5.485   6.540  -8.410
  324   1HG   PRO  43          1HG       PRO  43   5.536   4.926  -5.934
  325   2HG   PRO  43          2HG       PRO  43   5.131   4.424  -7.564
  326   1HD   PRO  43          1HD       PRO  43   7.588   3.918  -6.173
  327   2HD   PRO  43          2HD       PRO  43   7.226   3.519  -7.840
  328    H    THR  44           H        THR  44   8.401   9.131  -7.583
  329    HA   THR  44           HA       THR  44   9.844   9.260  -5.259
  330    HB   THR  44           HB       THR  44   9.385  11.776  -5.527
  331    HG1  THR  44           HG1      THR  44   7.581  12.183  -6.743
  332   1HG2  THR  44          2HG2      THR  44  10.260   9.972  -7.794
  333   2HG2  THR  44          3HG2      THR  44   9.993  11.697  -8.143
  334   3HG2  THR  44          1HG2      THR  44  11.194  11.211  -6.922
  335    H    GLU  45           H        GLU  45   9.447  10.344  -3.192
  336    HA   GLU  45           HA       GLU  45   7.355   9.185  -1.874
  337   1HB   GLU  45          1HB       GLU  45   9.454  11.149  -1.293
  338   2HB   GLU  45          2HB       GLU  45   7.993  11.498  -0.391
  339   1HG   GLU  45          1HG       GLU  45   7.940   9.075   0.362
  340   2HG   GLU  45          2HG       GLU  45   9.474   8.827  -0.447
  341    H    ALA  46           H        ALA  46   7.479  12.151  -3.782
  342    HA   ALA  46           HA       ALA  46   5.186  13.368  -2.649
  343   1HB   ALA  46          2HB       ALA  46   7.212  14.145  -4.312
  344   2HB   ALA  46          3HB       ALA  46   5.883  13.936  -5.478
  345   3HB   ALA  46          1HB       ALA  46   5.692  15.046  -4.100
  346    H    GLU  47           H        GLU  47   5.803  11.191  -5.464
  347    HA   GLU  47           HA       GLU  47   3.243  11.291  -6.480
  348   1HB   GLU  47          1HB       GLU  47   5.110  10.358  -7.747
  349   2HB   GLU  47          2HB       GLU  47   5.343   9.084  -6.565
  350   1HG   GLU  47          1HG       GLU  47   3.826   7.781  -7.628
  351   2HG   GLU  47          2HG       GLU  47   2.585   8.995  -7.393
  352    H    LEU  48           H        LEU  48   4.737   8.705  -4.391
  353    HA   LEU  48           HA       LEU  48   2.584   7.146  -3.982
  354   1HB   LEU  48          1HB       LEU  48   4.608   7.973  -1.897
  355   2HB   LEU  48          2HB       LEU  48   3.580   6.556  -1.824
  356    HG   LEU  48           HG       LEU  48   5.395   6.890  -4.186
  357   1HD1  LEU  48          2HD1      LEU  48   6.266   6.306  -1.373
  358   2HD1  LEU  48          3HD1      LEU  48   7.089   5.526  -2.745
  359   3HD1  LEU  48          1HD1      LEU  48   7.045   7.302  -2.626
  360   1HD2  LEU  48          2HD2      LEU  48   4.309   4.529  -2.635
  361   2HD2  LEU  48          3HD2      LEU  48   3.877   5.049  -4.281
  362   3HD2  LEU  48          1HD2      LEU  48   5.500   4.397  -3.950
  363    H    GLN  49           H        GLN  49   3.440  10.020  -1.924
  364    HA   GLN  49           HA       GLN  49   1.357   9.990  -0.261
  365   1HB   GLN  49          1HB       GLN  49   3.352  11.744  -0.757
  366   2HB   GLN  49          2HB       GLN  49   2.033  12.660  -1.459
  367   1HG   GLN  49          1HG       GLN  49   1.630  13.381   0.666
  368   2HG   GLN  49          2HG       GLN  49   0.891  11.812   0.918
  369   1HE2  GLN  49          2HE2      GLN  49   3.071  10.968   3.450
  370   2HE2  GLN  49          1HE2      GLN  49   1.489  10.957   2.746
  371    H    ASP  50           H        ASP  50   1.371  11.291  -3.634
  372    HA   ASP  50           HA       ASP  50  -1.199  12.304  -3.553
  373   1HB   ASP  50          1HB       ASP  50   0.880  11.783  -5.524
  374   2HB   ASP  50          2HB       ASP  50  -0.673  11.321  -6.193
  375    H    MET  51           H        MET  51   0.176   9.055  -4.231
  376    HA   MET  51           HA       MET  51  -2.247   7.995  -5.224
  377   1HB   MET  51          1HB       MET  51   0.186   6.547  -4.041
  378   2HB   MET  51          2HB       MET  51  -1.003   5.842  -5.119
  379   1HG   MET  51          1HG       MET  51  -0.277   7.196  -6.981
  380   2HG   MET  51          2HG       MET  51   0.634   8.276  -5.944
  381   1HE   MET  51          2HE       MET  51   0.525   5.071  -7.953
  382   2HE   MET  51          3HE       MET  51   1.488   6.406  -8.631
  383   3HE   MET  51          1HE       MET  51   2.278   4.874  -8.186
  384    H    ILE  52           H        ILE  52  -0.495   7.884  -2.061
  385    HA   ILE  52           HA       ILE  52  -2.151   6.094  -0.772
  386    HB   ILE  52           HB       ILE  52  -0.387   8.346   0.109
  387   1HG1  ILE  52          1HG1      ILE  52  -0.263   5.379  -0.064
  388   2HG1  ILE  52          2HG1      ILE  52   0.972   6.581  -0.382
  389   1HG2  ILE  52          1HG2      ILE  52  -2.139   6.665   1.920
  390   2HG2  ILE  52          2HG2      ILE  52  -0.762   7.653   2.464
  391   3HG2  ILE  52          3HG2      ILE  52  -2.178   8.433   1.717
  392   1HD1  ILE  52          1HD1      ILE  52   1.116   7.026   2.105
  393   2HD1  ILE  52          2HD1      ILE  52  -0.020   5.679   2.359
  394   3HD1  ILE  52          3HD1      ILE  52   1.581   5.371   1.643
  395    H    ASN  53           H        ASN  53  -2.620   9.518  -1.606
  396    HA   ASN  53           HA       ASN  53  -4.780   9.876   0.160
  397   1HB   ASN  53          1HB       ASN  53  -3.457  11.387  -2.053
  398   2HB   ASN  53          2HB       ASN  53  -5.159  11.753  -1.854
  399   1HD2  ASN  53          2HD2      ASN  53  -2.502  13.523   0.478
  400   2HD2  ASN  53          1HD2      ASN  53  -2.248  12.810  -1.080
  401    H    GLU  54           H        GLU  54  -4.299   8.301  -2.912
  402    HA   GLU  54           HA       GLU  54  -7.012   8.658  -3.767
  403   1HB   GLU  54          1HB       GLU  54  -4.661   7.087  -4.899
  404   2HB   GLU  54          2HB       GLU  54  -6.251   7.075  -5.635
  405   1HG   GLU  54          1HG       GLU  54  -5.853   9.789  -5.312
  406   2HG   GLU  54          2HG       GLU  54  -4.208   9.246  -5.573
  407    H    VAL  55           H        VAL  55  -5.237   6.574  -1.672
  408    HA   VAL  55           HA       VAL  55  -7.440   4.633  -1.778
  409    HB   VAL  55           HB       VAL  55  -5.483   3.115  -0.823
  410   1HG1  VAL  55          2HG1      VAL  55  -6.670   3.567  -3.443
  411   2HG1  VAL  55          3HG1      VAL  55  -5.019   2.914  -3.574
  412   3HG1  VAL  55          1HG1      VAL  55  -6.249   2.041  -2.628
  413   1HG2  VAL  55          3HG2      VAL  55  -3.928   5.206  -1.128
  414   2HG2  VAL  55          1HG2      VAL  55  -3.335   3.583  -1.554
  415   3HG2  VAL  55          2HG2      VAL  55  -3.892   4.690  -2.831
  416    H    ASP  56           H        ASP  56  -7.378   7.081  -0.248
  417    HA   ASP  56           HA       ASP  56  -7.874   5.958   2.271
  418   1HB   ASP  56          1HB       ASP  56  -5.346   6.174   2.330
  419   2HB   ASP  56          2HB       ASP  56  -5.523   7.900   2.088
  420    H    ALA  57           H        ALA  57  -9.590   7.226   3.011
  421    HA   ALA  57           HA       ALA  57  -9.820   9.920   1.889
  422   1HB   ALA  57          3HB       ALA  57 -11.607   7.770   2.085
  423   2HB   ALA  57          1HB       ALA  57 -12.127   8.895   3.362
  424   3HB   ALA  57          2HB       ALA  57 -12.013   9.454   1.676
  425    H    ASP  58           H        ASP  58  -8.231   8.697   4.368
  426    HA   ASP  58           HA       ASP  58  -9.383  10.539   6.308
  427   1HB   ASP  58          1HB       ASP  58  -9.196   8.733   7.678
  428   2HB   ASP  58          2HB       ASP  58  -8.268   7.847   6.485
  429    H    GLY  59           H        GLY  59  -6.496   9.484   4.479
  430   1HA   GLY  59          1HA       GLY  59  -4.437  10.355   4.220
  431   2HA   GLY  59          2HA       GLY  59  -5.224  11.912   4.391
  432    H    ASN  60           H        ASN  60  -4.870   9.261   6.835
  433    HA   ASN  60           HA       ASN  60  -4.128  11.118   8.797
  434   1HB   ASN  60          1HB       ASN  60  -3.671   9.022  10.171
  435   2HB   ASN  60          2HB       ASN  60  -5.267   9.057   9.447
  436   1HD2  ASN  60          2HD2      ASN  60  -3.644   5.711   8.955
  437   2HD2  ASN  60          1HD2      ASN  60  -3.963   6.743  10.309
  438    H    GLY  61           H        GLY  61  -2.449   9.307   6.314
  439   1HA   GLY  61          1HA       GLY  61  -0.193  10.095   5.839
  440   2HA   GLY  61          2HA       GLY  61   0.154   9.978   7.552
  441    H    THR  62           H        THR  62  -1.970   7.496   6.318
  442    HA   THR  62           HA       THR  62   0.090   5.693   5.493
  443    HB   THR  62           HB       THR  62  -0.376   5.968   8.295
  444    HG1  THR  62           HG1      THR  62   1.416   4.650   8.093
  445   1HG2  THR  62          1HG2      THR  62  -1.393   3.309   7.159
  446   2HG2  THR  62          2HG2      THR  62  -1.078   3.653   8.877
  447   3HG2  THR  62          3HG2      THR  62  -2.397   4.495   8.029
  448    H    ILE  63           H        ILE  63  -0.839   3.479   5.026
  449    HA   ILE  63           HA       ILE  63  -3.646   3.841   4.240
  450    HB   ILE  63           HB       ILE  63  -1.402   2.326   2.910
  451   1HG1  ILE  63          1HG1      ILE  63  -1.844   4.949   2.719
  452   2HG1  ILE  63          2HG1      ILE  63  -1.293   3.982   1.365
  453   1HG2  ILE  63          3HG2      ILE  63  -4.365   2.350   2.298
  454   2HG2  ILE  63          1HG2      ILE  63  -3.116   1.807   1.153
  455   3HG2  ILE  63          2HG2      ILE  63  -3.340   0.951   2.698
  456   1HD1  ILE  63          3HD1      ILE  63  -4.225   4.600   1.956
  457   2HD1  ILE  63          1HD1      ILE  63  -3.222   5.465   0.767
  458   3HD1  ILE  63          2HD1      ILE  63  -3.595   3.741   0.529
  459    H    ASP  64           H        ASP  64  -5.137   2.224   4.728
  460    HA   ASP  64           HA       ASP  64  -4.049   0.147   6.460
  461   1HB   ASP  64          1HB       ASP  64  -6.838   1.393   6.418
  462   2HB   ASP  64          2HB       ASP  64  -6.344   0.098   7.490
  463    H    PHE  65           H        PHE  65  -6.200  -1.618   6.569
  464    HA   PHE  65           HA       PHE  65  -6.087  -2.858   4.045
  465   1HB   PHE  65          1HB       PHE  65  -6.377  -3.869   6.409
  466   2HB   PHE  65          2HB       PHE  65  -8.015  -3.248   6.411
  467    HD1  PHE  65           HD2      PHE  65  -6.021  -5.022   3.795
  468    HD2  PHE  65           HD1      PHE  65  -9.482  -5.017   6.251
  469    HE1  PHE  65           HE2      PHE  65  -6.819  -7.122   2.675
  470    HE2  PHE  65           HE1      PHE  65 -10.280  -7.117   5.131
  471    HZ   PHE  65           HZ       PHE  65  -8.938  -8.144   3.356
  472    HA   PRO  66           HA       PRO  66 -10.558  -1.285   3.765
  473   1HB   PRO  66          1HB       PRO  66 -11.370   0.742   5.408
  474   2HB   PRO  66          2HB       PRO  66 -11.682  -0.948   5.746
  475   1HG   PRO  66          1HG       PRO  66  -9.706   0.858   6.999
  476   2HG   PRO  66          2HG       PRO  66 -10.323  -0.672   7.589
  477   1HD   PRO  66          1HD       PRO  66  -7.764  -0.206   6.381
  478   2HD   PRO  66          2HD       PRO  66  -8.428  -1.753   6.866
  479    H    GLU  67           H        GLU  67  -7.767   0.486   3.926
  480    HA   GLU  67           HA       GLU  67  -8.952   2.572   2.284
  481   1HB   GLU  67          1HB       GLU  67  -6.104   2.643   3.296
  482   2HB   GLU  67          2HB       GLU  67  -7.169   3.982   2.917
  483   1HG   GLU  67          1HG       GLU  67  -8.084   2.140   5.103
  484   2HG   GLU  67          2HG       GLU  67  -6.687   3.134   5.464
  485    H    PHE  68           H        PHE  68  -6.575  -0.084   2.359
  486    HA   PHE  68           HA       PHE  68  -5.555   0.602  -0.248
  487   1HB   PHE  68          1HB       PHE  68  -3.907  -0.419   1.106
  488   2HB   PHE  68          2HB       PHE  68  -5.089  -1.352   2.002
  489    HD1  PHE  68           HD2      PHE  68  -6.077  -3.414   0.916
  490    HD2  PHE  68           HD1      PHE  68  -2.716  -1.380  -0.688
  491    HE1  PHE  68           HE2      PHE  68  -5.480  -5.454  -0.419
  492    HE2  PHE  68           HE1      PHE  68  -2.119  -3.420  -2.023
  493    HZ   PHE  68           HZ       PHE  68  -3.507  -5.432  -1.872
  494    H    LEU  69           H        LEU  69  -7.874  -1.667   1.259
  495    HA   LEU  69           HA       LEU  69  -8.184  -3.613  -0.526
  496   1HB   LEU  69          1HB       LEU  69 -10.055  -2.056   1.163
  497   2HB   LEU  69          2HB       LEU  69 -10.781  -3.049  -0.085
  498    HG   LEU  69           HG       LEU  69  -8.813  -4.124   1.948
  499   1HD1  LEU  69          1HD1      LEU  69 -11.679  -3.496   2.218
  500   2HD1  LEU  69          2HD1      LEU  69 -11.225  -5.148   2.702
  501   3HD1  LEU  69          3HD1      LEU  69 -10.428  -3.748   3.459
  502   1HD2  LEU  69          2HD2      LEU  69 -10.083  -5.223  -0.402
  503   2HD2  LEU  69          3HD2      LEU  69  -8.838  -5.929   0.657
  504   3HD2  LEU  69          1HD2      LEU  69 -10.562  -6.128   1.054
  505    H    THR  70           H        THR  70  -9.417  -0.237  -0.932
  506    HA   THR  70           HA       THR  70 -10.744  -0.570  -3.317
  507    HB   THR  70           HB       THR  70 -10.715   1.481  -1.865
  508    HG1  THR  70           HG1      THR  70  -9.632   1.858  -4.567
  509   1HG2  THR  70          1HG2      THR  70  -8.088   1.425  -1.659
  510   2HG2  THR  70          2HG2      THR  70  -8.107   2.204  -3.259
  511   3HG2  THR  70          3HG2      THR  70  -8.879   3.006  -1.870
  512    H    MET  71           H        MET  71  -7.235   0.206  -2.848
  513    HA   MET  71           HA       MET  71  -6.466   0.509  -5.364
  514   1HB   MET  71          1HB       MET  71  -5.262  -0.164  -2.882
  515   2HB   MET  71          2HB       MET  71  -4.696  -1.413  -3.974
  516   1HG   MET  71          1HG       MET  71  -4.548   1.137  -5.348
  517   2HG   MET  71          2HG       MET  71  -3.787   1.309  -3.779
  518   1HE   MET  71          2HE       MET  71  -1.822   1.761  -4.290
  519   2HE   MET  71          3HE       MET  71  -0.722   0.407  -3.937
  520   3HE   MET  71          1HE       MET  71  -0.786   1.097  -5.576
  521    H    MET  72           H        MET  72  -7.021  -2.686  -3.747
  522    HA   MET  72           HA       MET  72  -6.262  -4.176  -5.985
  523   1HB   MET  72          1HB       MET  72  -8.161  -4.892  -3.681
  524   2HB   MET  72          2HB       MET  72  -7.367  -6.052  -4.727
  525   1HG   MET  72          1HG       MET  72  -5.344  -4.278  -3.661
  526   2HG   MET  72          2HG       MET  72  -6.340  -4.829  -2.328
  527   1HE   MET  72          2HE       MET  72  -3.341  -5.317  -3.993
  528   2HE   MET  72          3HE       MET  72  -3.065  -7.045  -4.322
  529   3HE   MET  72          1HE       MET  72  -4.089  -6.084  -5.415
  530    H    ALA  73           H        ALA  73  -9.414  -2.896  -4.806
  531    HA   ALA  73           HA       ALA  73 -11.008  -4.288  -6.650
  532   1HB   ALA  73          2HB       ALA  73 -11.738  -3.153  -4.515
  533   2HB   ALA  73          3HB       ALA  73 -11.541  -1.592  -5.347
  534   3HB   ALA  73          1HB       ALA  73 -12.743  -2.767  -5.933
  535    H    ARG  74           H        ARG  74  -9.423  -1.039  -6.697
  536    HA   ARG  74           HA       ARG  74 -10.060  -0.985  -9.538
  537   1HB   ARG  74          1HB       ARG  74  -9.716   1.580  -9.239
  538   2HB   ARG  74          2HB       ARG  74 -11.191   0.889  -8.594
  539   1HG   ARG  74          1HG       ARG  74 -10.510   1.130  -6.373
  540   2HG   ARG  74          2HG       ARG  74  -8.808   0.964  -6.759
  541   1HD   ARG  74          1HD       ARG  74 -10.540   3.410  -7.368
  542   2HD   ARG  74          2HD       ARG  74  -9.346   3.298  -6.091
  543    HE   ARG  74           HE       ARG  74  -8.069   2.630  -8.560
  544   1HH1  ARG  74          2HH2      ARG  74  -9.488   5.411  -6.938
  545   2HH1  ARG  74          1HH2      ARG  74  -8.488   6.562  -7.760
  546   1HH2  ARG  74          2HH1      ARG  74  -6.750   4.147  -9.646
  547   2HH2  ARG  74          1HH1      ARG  74  -6.920   5.838  -9.311
  548    H    LYS  75           H        LYS  75  -7.959  -2.404  -9.466
  549    HA   LYS  75           HA       LYS  75  -5.526  -1.141  -8.790
  550   1HB   LYS  75          1HB       LYS  75  -4.780  -3.225  -8.989
  551   2HB   LYS  75          2HB       LYS  75  -6.396  -3.721  -9.450
  552   1HG   LYS  75          1HG       LYS  75  -5.778  -3.014 -11.861
  553   2HG   LYS  75          2HG       LYS  75  -4.123  -2.882 -11.300
  554   1HD   LYS  75          1HD       LYS  75  -3.866  -5.114 -11.591
  555   2HD   LYS  75          2HD       LYS  75  -5.061  -5.399 -10.340
  556   1HE   LYS  75          1HE       LYS  75  -5.733  -4.907 -13.282
  557   2HE   LYS  75          2HE       LYS  75  -5.631  -6.494 -12.545
  558   1HZ   LYS  75          1HZ       LYS  75  -7.342  -4.516 -11.288
  559   2HZ   LYS  75          2HZ       LYS  75  -7.866  -5.222 -12.664
  560   3HZ   LYS  75          3HZ       LYS  75  -7.513  -6.138 -11.359
   
  No H/Q in entry =         560
  Start of MODEL   19
    1    H    MET   0           H        MET   0 -23.316 -21.846   9.208
    2    HA   MET   0           HA       MET   0 -22.319 -19.858   7.985
    3   1HB   MET   0          1HB       MET   0 -23.477 -22.324   7.142
    4   2HB   MET   0          2HB       MET   0 -24.100 -21.139   6.012
    5   1HG   MET   0          1HG       MET   0 -22.116 -21.209   4.910
    6   2HG   MET   0          2HG       MET   0 -21.347 -20.492   6.312
    7   1HE   MET   0          3HE       MET   0 -20.949 -23.081   3.919
    8   2HE   MET   0          1HE       MET   0 -20.851 -24.659   4.738
    9   3HE   MET   0          2HE       MET   0 -22.422 -23.838   4.573
   10    H    ALA   1           H        ALA   1 -23.322 -18.810   5.698
   11    HA   ALA   1           HA       ALA   1 -25.972 -17.849   5.933
   12   1HB   ALA   1          1HB       ALA   1 -24.605 -16.586   7.760
   13   2HB   ALA   1          2HB       ALA   1 -23.878 -15.716   6.388
   14   3HB   ALA   1          3HB       ALA   1 -25.635 -15.639   6.659
   15    H    ASP   2           H        ASP   2 -26.248 -15.945   4.240
   16    HA   ASP   2           HA       ASP   2 -24.940 -16.917   1.894
   17   1HB   ASP   2          1HB       ASP   2 -27.126 -14.883   2.460
   18   2HB   ASP   2          2HB       ASP   2 -26.426 -15.005   0.859
   19    H    GLN   3           H        GLN   3 -24.457 -14.862   0.223
   20    HA   GLN   3           HA       GLN   3 -23.099 -13.250  -0.294
   21   1HB   GLN   3          1HB       GLN   3 -24.733 -12.129   1.570
   22   2HB   GLN   3          2HB       GLN   3 -23.194 -11.886   2.370
   23   1HG   GLN   3          1HG       GLN   3 -22.311 -10.846   0.223
   24   2HG   GLN   3          2HG       GLN   3 -23.924 -10.974  -0.452
   25   1HE2  GLN   3          2HE2      GLN   3 -25.350  -8.304   1.304
   26   2HE2  GLN   3          1HE2      GLN   3 -25.596  -9.714   0.328
   27    H    LEU   4           H        LEU   4 -20.885 -13.251  -0.487
   28    HA   LEU   4           HA       LEU   4 -19.326 -14.900   1.073
   29   1HB   LEU   4          1HB       LEU   4 -17.417 -13.647   0.011
   30   2HB   LEU   4          2HB       LEU   4 -18.575 -14.400  -1.068
   31    HG   LEU   4           HG       LEU   4 -19.285 -11.629  -0.488
   32   1HD1  LEU   4          3HD1      LEU   4 -16.478 -12.189  -0.934
   33   2HD1  LEU   4          1HD1      LEU   4 -17.157 -11.203  -2.252
   34   3HD1  LEU   4          2HD1      LEU   4 -17.293 -10.650  -0.566
   35   1HD2  LEU   4          3HD2      LEU   4 -19.698 -13.486  -2.495
   36   2HD2  LEU   4          1HD2      LEU   4 -20.122 -11.758  -2.549
   37   3HD2  LEU   4          2HD2      LEU   4 -18.578 -12.317  -3.236
   38    H    THR   5           H        THR   5 -17.166 -13.921   2.170
   39    HA   THR   5           HA       THR   5 -17.697 -11.553   3.724
   40    HB   THR   5           HB       THR   5 -18.164 -12.571   5.765
   41    HG1  THR   5           HG1      THR   5 -16.693 -14.816   4.573
   42   1HG2  THR   5          2HG2      THR   5 -18.873 -14.834   3.824
   43   2HG2  THR   5          3HG2      THR   5 -19.427 -14.733   5.513
   44   3HG2  THR   5          1HG2      THR   5 -19.959 -13.517   4.327
   45    H    GLU   6           H        GLU   6 -15.784 -12.090   5.773
   46    HA   GLU   6           HA       GLU   6 -13.542 -11.194   4.665
   47   1HB   GLU   6          1HB       GLU   6 -13.821 -13.094   7.031
   48   2HB   GLU   6          2HB       GLU   6 -12.334 -12.249   6.649
   49   1HG   GLU   6          1HG       GLU   6 -13.627 -10.058   6.766
   50   2HG   GLU   6          2HG       GLU   6 -15.024 -10.964   7.314
   51    H    GLU   7           H        GLU   7 -14.637 -14.601   4.793
   52    HA   GLU   7           HA       GLU   7 -12.466 -16.004   4.275
   53   1HB   GLU   7          1HB       GLU   7 -15.230 -16.185   3.039
   54   2HB   GLU   7          2HB       GLU   7 -13.996 -17.361   2.633
   55   1HG   GLU   7          1HG       GLU   7 -13.935 -17.076   5.484
   56   2HG   GLU   7          2HG       GLU   7 -15.625 -17.191   5.034
   57    H    GLN   8           H        GLN   8 -14.108 -13.792   1.979
   58    HA   GLN   8           HA       GLN   8 -12.411 -14.586  -0.165
   59   1HB   GLN   8          1HB       GLN   8 -14.657 -12.638   0.237
   60   2HB   GLN   8          2HB       GLN   8 -13.547 -12.299  -1.076
   61   1HG   GLN   8          1HG       GLN   8 -15.447 -13.688  -1.859
   62   2HG   GLN   8          2HG       GLN   8 -13.930 -14.548  -2.034
   63   1HE2  GLN   8          2HE2      GLN   8 -15.561 -17.272  -0.577
   64   2HE2  GLN   8          1HE2      GLN   8 -14.908 -16.542  -2.005
   65    H    ILE   9           H        ILE   9 -12.682 -11.831   2.144
   66    HA   ILE   9           HA       ILE   9 -10.688 -10.255   0.978
   67    HB   ILE   9           HB       ILE   9 -12.517  -9.896   2.896
   68   1HG1  ILE   9          1HG1      ILE   9 -10.847  -7.857   3.516
   69   2HG1  ILE   9          2HG1      ILE   9 -10.097  -8.408   2.031
   70   1HG2  ILE   9          1HG2      ILE   9  -9.917 -10.373   4.370
   71   2HG2  ILE   9          2HG2      ILE   9 -11.297  -9.473   5.045
   72   3HG2  ILE   9          3HG2      ILE   9 -11.479 -11.190   4.612
   73   1HD1  ILE   9          2HD1      ILE   9 -13.093  -8.137   2.038
   74   2HD1  ILE   9          3HD1      ILE   9 -12.121  -6.646   2.013
   75   3HD1  ILE   9          1HD1      ILE   9 -11.932  -7.853   0.719
   76    H    ALA  10           H        ALA  10 -10.610 -13.012   3.253
   77    HA   ALA  10           HA       ALA  10  -8.131 -12.817   4.310
   78   1HB   ALA  10          3HB       ALA  10 -10.017 -14.963   3.592
   79   2HB   ALA  10          1HB       ALA  10  -8.322 -15.503   3.655
   80   3HB   ALA  10          2HB       ALA  10  -9.063 -14.730   5.077
   81    H    GLU  11           H        GLU  11  -9.034 -13.758   0.960
   82    HA   GLU  11           HA       GLU  11  -6.449 -14.549   0.248
   83   1HB   GLU  11          1HB       GLU  11  -8.805 -13.605  -1.442
   84   2HB   GLU  11          2HB       GLU  11  -7.342 -14.300  -2.113
   85   1HG   GLU  11          1HG       GLU  11  -7.733 -16.370  -0.707
   86   2HG   GLU  11          2HG       GLU  11  -9.247 -15.676  -0.161
   87    H    PHE  12           H        PHE  12  -8.210 -11.427   0.201
   88    HA   PHE  12           HA       PHE  12  -6.303 -10.059  -1.357
   89   1HB   PHE  12          1HB       PHE  12  -8.499  -9.363   0.661
   90   2HB   PHE  12          2HB       PHE  12  -7.528  -8.086  -0.044
   91    HD1  PHE  12           HD1      PHE  12  -9.098 -11.165  -1.472
   92    HD2  PHE  12           HD2      PHE  12  -8.756  -6.938  -1.614
   93    HE1  PHE  12           HE1      PHE  12 -10.620 -11.109  -3.467
   94    HE2  PHE  12           HE2      PHE  12 -10.278  -6.882  -3.609
   95    HZ   PHE  12           HZ       PHE  12 -11.192  -8.968  -4.512
   96    H    LYS  13           H        LYS  13  -6.631 -10.786   2.125
   97    HA   LYS  13           HA       LYS  13  -5.114  -8.934   3.321
   98   1HB   LYS  13          1HB       LYS  13  -5.206 -11.926   3.746
   99   2HB   LYS  13          2HB       LYS  13  -4.310 -10.859   4.808
  100   1HG   LYS  13          1HG       LYS  13  -6.596  -9.478   4.852
  101   2HG   LYS  13          2HG       LYS  13  -7.296 -11.002   4.343
  102   1HD   LYS  13          1HD       LYS  13  -5.813 -11.978   6.356
  103   2HD   LYS  13          2HD       LYS  13  -5.898 -10.326   6.934
  104   1HE   LYS  13          1HE       LYS  13  -8.491 -10.552   6.474
  105   2HE   LYS  13          2HE       LYS  13  -8.177 -12.276   6.466
  106   1HZ   LYS  13          3HZ       LYS  13  -6.872 -11.227   8.653
  107   2HZ   LYS  13          1HZ       LYS  13  -8.366 -10.568   8.657
  108   3HZ   LYS  13          2HZ       LYS  13  -8.190 -12.191   8.649
  109    H    GLU  14           H        GLU  14  -3.688 -11.976   1.919
  110    HA   GLU  14           HA       GLU  14  -1.104 -11.350   2.227
  111   1HB   GLU  14          1HB       GLU  14  -2.465 -12.773  -0.097
  112   2HB   GLU  14          2HB       GLU  14  -0.725 -12.745   0.109
  113   1HG   GLU  14          1HG       GLU  14  -1.449 -13.529   2.622
  114   2HG   GLU  14          2HG       GLU  14  -2.809 -14.174   1.725
  115    H    ALA  15           H        ALA  15  -3.363 -10.107  -0.262
  116    HA   ALA  15           HA       ALA  15  -1.495  -8.950  -1.960
  117   1HB   ALA  15          2HB       ALA  15  -4.121  -9.292  -2.068
  118   2HB   ALA  15          3HB       ALA  15  -4.147  -7.643  -1.398
  119   3HB   ALA  15          1HB       ALA  15  -3.344  -7.959  -2.955
  120    H    PHE  16           H        PHE  16  -3.299  -7.520   0.853
  121    HA   PHE  16           HA       PHE  16  -2.056  -5.037   0.713
  122   1HB   PHE  16          1HB       PHE  16  -4.143  -5.792   2.015
  123   2HB   PHE  16          2HB       PHE  16  -3.089  -6.638   3.131
  124    HD1  PHE  16           HD1      PHE  16  -3.750  -3.238   1.765
  125    HD2  PHE  16           HD2      PHE  16  -2.275  -5.537   5.012
  126    HE1  PHE  16           HE1      PHE  16  -3.537  -1.152   3.145
  127    HE2  PHE  16           HE2      PHE  16  -2.061  -3.451   6.392
  128    HZ   PHE  16           HZ       PHE  16  -2.694  -1.284   5.442
  129    H    SER  17           H        SER  17  -1.080  -8.125   2.234
  130    HA   SER  17           HA       SER  17   0.840  -7.121   3.924
  131   1HB   SER  17          1HB       SER  17   0.259  -9.748   2.625
  132   2HB   SER  17          2HB       SER  17   1.896  -9.547   3.217
  133    HG   SER  17           HG       SER  17  -0.492  -9.859   4.638
  134    H    LEU  18           H        LEU  18   1.101  -8.286   0.494
  135    HA   LEU  18           HA       LEU  18   3.721  -8.147   0.026
  136   1HB   LEU  18          1HB       LEU  18   1.295  -7.812  -1.515
  137   2HB   LEU  18          2HB       LEU  18   2.586  -6.822  -2.166
  138    HG   LEU  18           HG       LEU  18   3.903  -9.184  -1.808
  139   1HD1  LEU  18          2HD1      LEU  18   1.012  -9.853  -2.386
  140   2HD1  LEU  18          3HD1      LEU  18   2.366 -10.937  -2.786
  141   3HD1  LEU  18          1HD1      LEU  18   2.057 -10.486  -1.092
  142   1HD2  LEU  18          2HD2      LEU  18   2.717  -7.707  -4.038
  143   2HD2  LEU  18          3HD2      LEU  18   4.320  -8.465  -3.879
  144   3HD2  LEU  18          1HD2      LEU  18   2.916  -9.444  -4.369
  145    H    PHE  19           H        PHE  19   1.497  -5.281   0.060
  146    HA   PHE  19           HA       PHE  19   3.667  -3.476  -0.301
  147   1HB   PHE  19          1HB       PHE  19   0.715  -3.318   0.524
  148   2HB   PHE  19          2HB       PHE  19   1.697  -1.871   0.419
  149    HD1  PHE  19           HD2      PHE  19   2.623  -1.168  -1.786
  150    HD2  PHE  19           HD1      PHE  19  -0.134  -4.375  -1.436
  151    HE1  PHE  19           HE2      PHE  19   2.127  -1.009  -4.241
  152    HE2  PHE  19           HE1      PHE  19  -0.631  -4.216  -3.891
  153    HZ   PHE  19           HZ       PHE  19   0.506  -2.535  -5.265
  154    H    ASP  20           H        ASP  20   1.552  -4.445   2.481
  155    HA   ASP  20           HA       ASP  20   3.011  -2.750   4.234
  156   1HB   ASP  20          1HB       ASP  20   0.699  -3.097   4.765
  157   2HB   ASP  20          2HB       ASP  20   0.824  -4.833   4.563
  158    H    LYS  21           H        LYS  21   5.200  -3.494   4.353
  159    HA   LYS  21           HA       LYS  21   5.777  -6.279   4.586
  160   1HB   LYS  21          1HB       LYS  21   7.166  -4.255   3.578
  161   2HB   LYS  21          2HB       LYS  21   7.776  -4.139   5.216
  162   1HG   LYS  21          1HG       LYS  21   7.691  -6.835   3.828
  163   2HG   LYS  21          2HG       LYS  21   8.992  -5.716   3.474
  164   1HD   LYS  21          1HD       LYS  21  10.050  -6.272   5.399
  165   2HD   LYS  21          2HD       LYS  21   8.651  -5.801   6.342
  166   1HE   LYS  21          1HE       LYS  21   7.704  -8.169   5.473
  167   2HE   LYS  21          2HE       LYS  21   9.410  -8.530   5.304
  168   1HZ   LYS  21          2HZ       LYS  21   9.687  -7.840   7.617
  169   2HZ   LYS  21          3HZ       LYS  21   8.074  -7.621   7.757
  170   3HZ   LYS  21          1HZ       LYS  21   8.674  -9.113   7.471
  171    H    ASP  22           H        ASP  22   5.920  -3.413   6.805
  172    HA   ASP  22           HA       ASP  22   6.861  -4.656   8.998
  173   1HB   ASP  22          1HB       ASP  22   4.589  -2.614   8.944
  174   2HB   ASP  22          2HB       ASP  22   5.641  -2.930  10.310
  175    H    GLY  23           H        GLY  23   3.784  -5.067   7.358
  176   1HA   GLY  23          1HA       GLY  23   2.001  -6.378   7.739
  177   2HA   GLY  23          2HA       GLY  23   3.013  -7.313   8.822
  178    H    ASP  24           H        ASP  24   2.841  -3.939   9.645
  179    HA   ASP  24           HA       ASP  24   1.729  -4.479  12.112
  180   1HB   ASP  24          1HB       ASP  24   1.480  -1.961  12.253
  181   2HB   ASP  24          2HB       ASP  24   3.082  -2.502  11.796
  182    H    GLY  25           H        GLY  25   0.362  -3.649   8.933
  183   1HA   GLY  25          1HA       GLY  25  -1.942  -4.391   8.603
  184   2HA   GLY  25          2HA       GLY  25  -2.347  -3.623  10.125
  185    H    THR  26           H        THR  26   0.074  -1.894   8.340
  186    HA   THR  26           HA       THR  26  -1.897  -0.280   6.922
  187    HB   THR  26           HB       THR  26  -1.066   1.784   8.025
  188    HG1  THR  26           HG1      THR  26   1.087   0.928   8.479
  189   1HG2  THR  26          1HG2      THR  26  -2.903   0.427   9.217
  190   2HG2  THR  26          2HG2      THR  26  -1.610  -0.282  10.213
  191   3HG2  THR  26          3HG2      THR  26  -1.925   1.468  10.279
  192    H    ILE  27           H        ILE  27  -0.978   1.081   5.269
  193    HA   ILE  27           HA       ILE  27   1.762   0.269   4.591
  194    HB   ILE  27           HB       ILE  27  -0.601   0.589   2.738
  195   1HG1  ILE  27          1HG1      ILE  27   1.014  -1.887   3.409
  196   2HG1  ILE  27          2HG1      ILE  27  -0.546  -1.504   4.110
  197   1HG2  ILE  27          1HG2      ILE  27   1.835   1.322   2.018
  198   2HG2  ILE  27          2HG2      ILE  27   2.054  -0.434   1.825
  199   3HG2  ILE  27          3HG2      ILE  27   0.772   0.408   0.921
  200   1HD1  ILE  27          3HD1      ILE  27  -0.140  -1.617   1.096
  201   2HD1  ILE  27          1HD1      ILE  27  -0.551  -3.061   2.052
  202   3HD1  ILE  27          2HD1      ILE  27  -1.671  -1.679   2.002
  203    H    THR  28           H        THR  28   3.000   2.030   5.014
  204    HA   THR  28           HA       THR  28   1.886   4.672   4.744
  205    HB   THR  28           HB       THR  28   3.426   4.064   6.599
  206    HG1  THR  28           HG1      THR  28   3.929   6.182   6.181
  207   1HG2  THR  28          3HG2      THR  28   5.289   3.429   4.271
  208   2HG2  THR  28          1HG2      THR  28   5.932   3.925   5.854
  209   3HG2  THR  28          2HG2      THR  28   4.957   2.443   5.715
  210    H    THR  29           H        THR  29   4.711   5.596   3.861
  211    HA   THR  29           HA       THR  29   4.038   5.509   1.019
  212    HB   THR  29           HB       THR  29   5.918   7.363   1.106
  213    HG1  THR  29           HG1      THR  29   6.703   6.968   3.217
  214   1HG2  THR  29          2HG2      THR  29   3.335   7.757   1.064
  215   2HG2  THR  29          3HG2      THR  29   3.469   7.945   2.829
  216   3HG2  THR  29          1HG2      THR  29   4.339   9.058   1.746
  217    H    LYS  30           H        LYS  30   6.848   4.940   3.228
  218    HA   LYS  30           HA       LYS  30   8.595   4.105   1.246
  219   1HB   LYS  30          1HB       LYS  30   8.491   4.200   4.126
  220   2HB   LYS  30          2HB       LYS  30   9.169   2.666   3.620
  221   1HG   LYS  30          1HG       LYS  30  11.016   3.648   2.596
  222   2HG   LYS  30          2HG       LYS  30  10.143   5.103   2.160
  223   1HD   LYS  30          1HD       LYS  30  10.825   6.172   4.045
  224   2HD   LYS  30          2HD       LYS  30  10.257   4.865   5.064
  225   1HE   LYS  30          1HE       LYS  30  12.386   3.578   4.439
  226   2HE   LYS  30          2HE       LYS  30  12.957   5.035   3.651
  227   1HZ   LYS  30          2HZ       LYS  30  12.080   5.034   6.446
  228   2HZ   LYS  30          3HZ       LYS  30  13.623   4.711   6.020
  229   3HZ   LYS  30          1HZ       LYS  30  12.967   6.166   5.674
  230    H    GLU  31           H        GLU  31   6.377   2.152   3.355
  231    HA   GLU  31           HA       GLU  31   7.046  -0.271   2.231
  232   1HB   GLU  31          1HB       GLU  31   4.451   0.663   3.529
  233   2HB   GLU  31          2HB       GLU  31   4.793  -1.012   3.148
  234   1HG   GLU  31          1HG       GLU  31   7.089  -0.361   4.502
  235   2HG   GLU  31          2HG       GLU  31   5.960   0.727   5.285
  236    H    LEU  32           H        LEU  32   5.190   2.397   0.963
  237    HA   LEU  32           HA       LEU  32   3.745   0.748  -0.917
  238   1HB   LEU  32          1HB       LEU  32   2.912   2.870   0.258
  239   2HB   LEU  32          2HB       LEU  32   3.913   3.752  -0.879
  240    HG   LEU  32           HG       LEU  32   2.542   2.193  -2.614
  241   1HD1  LEU  32          3HD1      LEU  32   0.684   2.618  -0.260
  242   2HD1  LEU  32          1HD1      LEU  32   0.156   2.179  -1.902
  243   3HD1  LEU  32          2HD1      LEU  32   1.194   1.070  -0.974
  244   1HD2  LEU  32          1HD2      LEU  32   2.348   4.939  -1.624
  245   2HD2  LEU  32          2HD2      LEU  32   2.336   4.310  -3.289
  246   3HD2  LEU  32          3HD2      LEU  32   0.832   4.340  -2.339
  247    H    GLY  33           H        GLY  33   6.694   2.721  -0.712
  248   1HA   GLY  33          1HA       GLY  33   7.103   2.634  -3.593
  249   2HA   GLY  33          2HA       GLY  33   8.113   3.409  -2.388
  250    H    THR  34           H        THR  34   7.507   0.486  -0.979
  251    HA   THR  34           HA       THR  34  10.083  -0.538  -1.744
  252    HB   THR  34           HB       THR  34   7.898  -1.219   0.257
  253    HG1  THR  34           HG1      THR  34   9.549  -0.404   1.562
  254   1HG2  THR  34          3HG2      THR  34   9.351  -3.266  -0.914
  255   2HG2  THR  34          1HG2      THR  34  10.457  -2.747   0.380
  256   3HG2  THR  34          2HG2      THR  34   8.805  -3.277   0.780
  257    H    VAL  35           H        VAL  35   6.770  -2.028  -1.729
  258    HA   VAL  35           HA       VAL  35   7.369  -4.235  -3.182
  259    HB   VAL  35           HB       VAL  35   4.960  -2.533  -2.800
  260   1HG1  VAL  35          3HG1      VAL  35   5.148  -4.727  -4.886
  261   2HG1  VAL  35          1HG1      VAL  35   3.615  -4.125  -4.212
  262   3HG1  VAL  35          2HG1      VAL  35   4.675  -3.028  -5.129
  263   1HG2  VAL  35          1HG2      VAL  35   5.679  -5.432  -2.276
  264   2HG2  VAL  35          2HG2      VAL  35   5.457  -4.126  -1.087
  265   3HG2  VAL  35          3HG2      VAL  35   4.059  -4.750  -1.994
  266    H    MET  36           H        MET  36   7.245  -0.877  -4.257
  267    HA   MET  36           HA       MET  36   6.924  -1.452  -6.982
  268   1HB   MET  36          1HB       MET  36   8.164   0.938  -5.508
  269   2HB   MET  36          2HB       MET  36   7.785   0.946  -7.219
  270   1HG   MET  36          1HG       MET  36   5.449   0.032  -5.752
  271   2HG   MET  36          2HG       MET  36   6.024   1.520  -5.026
  272   1HE   MET  36          3HE       MET  36   4.472  -0.342  -7.562
  273   2HE   MET  36          1HE       MET  36   3.202   0.902  -7.645
  274   3HE   MET  36          2HE       MET  36   4.281   0.637  -9.036
  275    H    ARG  37           H        ARG  37   9.783  -0.952  -4.839
  276    HA   ARG  37           HA       ARG  37  11.696  -0.811  -6.762
  277   1HB   ARG  37          1HB       ARG  37  11.675  -1.904  -3.928
  278   2HB   ARG  37          2HB       ARG  37  13.141  -2.011  -4.882
  279   1HG   ARG  37          1HG       ARG  37  13.503   0.276  -4.856
  280   2HG   ARG  37          2HG       ARG  37  11.793   0.659  -4.902
  281   1HD   ARG  37          1HD       ARG  37  12.078  -0.597  -2.412
  282   2HD   ARG  37          2HD       ARG  37  13.573   0.304  -2.565
  283    HE   ARG  37           HE       ARG  37  10.860   1.429  -2.347
  284   1HH1  ARG  37          2HH2      ARG  37  14.222   2.044  -3.186
  285   2HH1  ARG  37          1HH2      ARG  37  14.094   3.758  -2.973
  286   1HH2  ARG  37          2HH1      ARG  37  10.691   3.691  -2.067
  287   2HH2  ARG  37          1HH1      ARG  37  12.073   4.701  -2.333
  288    H    SER  38           H        SER  38   9.772  -3.560  -5.668
  289    HA   SER  38           HA       SER  38  11.557  -5.539  -6.589
  290   1HB   SER  38          1HB       SER  38   8.692  -5.465  -5.650
  291   2HB   SER  38          2HB       SER  38   9.251  -6.897  -6.492
  292    HG   SER  38           HG       SER  38  10.091  -5.829  -3.974
  293    H    LEU  39           H        LEU  39   9.281  -3.368  -8.084
  294    HA   LEU  39           HA       LEU  39   9.159  -5.064 -10.470
  295   1HB   LEU  39          1HB       LEU  39   7.241  -3.480  -9.097
  296   2HB   LEU  39          2HB       LEU  39   7.526  -2.726 -10.653
  297    HG   LEU  39           HG       LEU  39   7.269  -5.405 -11.313
  298   1HD1  LEU  39          3HD1      LEU  39   6.541  -5.850  -8.966
  299   2HD1  LEU  39          1HD1      LEU  39   5.140  -4.789  -9.250
  300   3HD1  LEU  39          2HD1      LEU  39   5.335  -6.280 -10.203
  301   1HD2  LEU  39          2HD2      LEU  39   5.380  -3.061 -11.384
  302   2HD2  LEU  39          3HD2      LEU  39   6.318  -3.796 -12.706
  303   3HD2  LEU  39          1HD2      LEU  39   4.912  -4.652 -12.029
  304    H    GLY  40           H        GLY  40  11.505  -3.423  -9.414
  305   1HA   GLY  40          1HA       GLY  40  13.136  -2.170 -10.319
  306   2HA   GLY  40          2HA       GLY  40  12.396  -2.433 -11.885
  307    H    GLN  41           H        GLN  41  10.534  -0.972  -9.231
  308    HA   GLN  41           HA       GLN  41  10.655   1.533 -10.717
  309   1HB   GLN  41          1HB       GLN  41   8.445   0.135  -9.217
  310   2HB   GLN  41          2HB       GLN  41   8.417   1.885  -9.295
  311   1HG   GLN  41          1HG       GLN  41   8.959   1.292 -11.925
  312   2HG   GLN  41          2HG       GLN  41   8.021  -0.119 -11.477
  313   1HE2  GLN  41          2HE2      GLN  41   4.975   1.597 -10.840
  314   2HE2  GLN  41          1HE2      GLN  41   5.950   0.236 -10.395
  315    H    ASN  42           H        ASN  42   9.858   3.442  -9.038
  316    HA   ASN  42           HA       ASN  42  10.536   3.237  -6.399
  317   1HB   ASN  42          1HB       ASN  42  12.878   2.908  -7.636
  318   2HB   ASN  42          2HB       ASN  42  12.803   4.645  -7.853
  319   1HD2  ASN  42          2HD2      ASN  42  14.690   4.169  -4.774
  320   2HD2  ASN  42          1HD2      ASN  42  14.848   3.931  -6.482
  321    HA   PRO  43           HA       PRO  43   8.742   7.117  -8.038
  322   1HB   PRO  43          1HB       PRO  43   6.346   7.007  -6.729
  323   2HB   PRO  43          2HB       PRO  43   6.575   6.409  -8.360
  324   1HG   PRO  43          1HG       PRO  43   6.301   4.878  -5.846
  325   2HG   PRO  43          2HG       PRO  43   6.105   4.323  -7.497
  326   1HD   PRO  43          1HD       PRO  43   8.361   3.860  -5.788
  327   2HD   PRO  43          2HD       PRO  43   8.213   3.406  -7.474
  328    H    THR  44           H        THR  44   8.774   9.183  -7.192
  329    HA   THR  44           HA       THR  44  10.143   9.382  -4.744
  330    HB   THR  44           HB       THR  44   9.650  11.850  -5.123
  331    HG1  THR  44           HG1      THR  44   7.763  12.046  -6.273
  332   1HG2  THR  44          2HG2      THR  44  11.177  10.127  -6.787
  333   2HG2  THR  44          3HG2      THR  44  10.205  11.112  -7.907
  334   3HG2  THR  44          1HG2      THR  44  11.279  11.903  -6.728
  335    H    GLU  45           H        GLU  45   9.452  10.457  -2.758
  336    HA   GLU  45           HA       GLU  45   7.281   9.210  -1.672
  337   1HB   GLU  45          1HB       GLU  45   9.042  11.504  -0.904
  338   2HB   GLU  45          2HB       GLU  45   7.529  11.372  -0.030
  339   1HG   GLU  45          1HG       GLU  45   8.092   8.926   0.430
  340   2HG   GLU  45          2HG       GLU  45   9.664   9.205  -0.294
  341    H    ALA  46           H        ALA  46   7.495  12.213  -3.542
  342    HA   ALA  46           HA       ALA  46   5.056  13.341  -2.730
  343   1HB   ALA  46          2HB       ALA  46   7.052  13.680  -4.915
  344   2HB   ALA  46          3HB       ALA  46   5.414  14.289  -5.249
  345   3HB   ALA  46          1HB       ALA  46   6.317  14.892  -3.838
  346    H    GLU  47           H        GLU  47   5.975  11.113  -5.430
  347    HA   GLU  47           HA       GLU  47   3.505  11.048  -6.626
  348   1HB   GLU  47          1HB       GLU  47   5.512  10.134  -7.687
  349   2HB   GLU  47          2HB       GLU  47   5.671   8.911  -6.442
  350   1HG   GLU  47          1HG       GLU  47   4.095   7.555  -7.397
  351   2HG   GLU  47          2HG       GLU  47   3.001   8.888  -7.711
  352    H    LEU  48           H        LEU  48   4.915   8.644  -4.278
  353    HA   LEU  48           HA       LEU  48   2.723   7.055  -3.989
  354   1HB   LEU  48          1HB       LEU  48   4.670   7.871  -1.828
  355   2HB   LEU  48          2HB       LEU  48   3.644   6.451  -1.814
  356    HG   LEU  48           HG       LEU  48   5.579   6.824  -4.077
  357   1HD1  LEU  48          1HD1      LEU  48   6.579   7.121  -1.608
  358   2HD1  LEU  48          2HD1      LEU  48   6.571   5.343  -1.701
  359   3HD1  LEU  48          3HD1      LEU  48   7.452   6.294  -2.921
  360   1HD2  LEU  48          3HD2      LEU  48   4.252   4.495  -2.698
  361   2HD2  LEU  48          1HD2      LEU  48   4.175   4.984  -4.408
  362   3HD2  LEU  48          2HD2      LEU  48   5.671   4.279  -3.751
  363    H    GLN  49           H        GLN  49   3.556   9.917  -1.904
  364    HA   GLN  49           HA       GLN  49   1.437   9.945  -0.308
  365   1HB   GLN  49          1HB       GLN  49   3.445  11.722  -0.921
  366   2HB   GLN  49          2HB       GLN  49   2.046  12.619  -1.474
  367   1HG   GLN  49          1HG       GLN  49   2.161  13.263   0.783
  368   2HG   GLN  49          2HG       GLN  49   0.985  11.965   0.844
  369   1HE2  GLN  49          2HE2      GLN  49   2.768  10.398   3.357
  370   2HE2  GLN  49          1HE2      GLN  49   1.283  11.045   2.743
  371    H    ASP  50           H        ASP  50   1.513  11.032  -3.740
  372    HA   ASP  50           HA       ASP  50  -1.052  12.108  -3.727
  373   1HB   ASP  50          1HB       ASP  50   1.073  11.592  -5.618
  374   2HB   ASP  50          2HB       ASP  50  -0.421  11.003  -6.319
  375    H    MET  51           H        MET  51   0.339   8.856  -4.471
  376    HA   MET  51           HA       MET  51  -2.037   7.758  -5.444
  377   1HB   MET  51          1HB       MET  51   0.341   6.378  -4.078
  378   2HB   MET  51          2HB       MET  51  -0.813   5.595  -5.139
  379   1HG   MET  51          1HG       MET  51  -0.030   6.792  -7.070
  380   2HG   MET  51          2HG       MET  51   0.811   7.984  -6.098
  381   1HE   MET  51          1HE       MET  51   1.065   5.515  -8.350
  382   2HE   MET  51          2HE       MET  51   2.641   6.333  -8.475
  383   3HE   MET  51          3HE       MET  51   2.568   4.594  -8.105
  384    H    ILE  52           H        ILE  52  -0.379   7.443  -2.220
  385    HA   ILE  52           HA       ILE  52  -2.145   5.821  -0.964
  386    HB   ILE  52           HB       ILE  52  -0.484   8.131  -0.003
  387   1HG1  ILE  52          1HG1      ILE  52  -0.250   5.124   0.031
  388   2HG1  ILE  52          2HG1      ILE  52   0.846   6.302  -0.663
  389   1HG2  ILE  52          1HG2      ILE  52  -2.705   6.948   1.401
  390   2HG2  ILE  52          2HG2      ILE  52  -1.177   6.561   2.229
  391   3HG2  ILE  52          3HG2      ILE  52  -1.609   8.257   1.904
  392   1HD1  ILE  52          3HD1      ILE  52   0.863   7.149   1.935
  393   2HD1  ILE  52          1HD1      ILE  52   0.562   5.410   2.171
  394   3HD1  ILE  52          2HD1      ILE  52   2.010   5.951   1.287
  395    H    ASN  53           H        ASN  53  -2.384   9.422  -1.306
  396    HA   ASN  53           HA       ASN  53  -4.586   9.861   0.147
  397   1HB   ASN  53          1HB       ASN  53  -3.343  11.092  -2.258
  398   2HB   ASN  53          2HB       ASN  53  -5.055  11.440  -2.122
  399   1HD2  ASN  53          2HD2      ASN  53  -2.633  13.764  -0.173
  400   2HD2  ASN  53          1HD2      ASN  53  -2.438  12.952  -1.691
  401    H    GLU  54           H        GLU  54  -4.337   8.609  -3.240
  402    HA   GLU  54           HA       GLU  54  -6.963   8.691  -3.937
  403   1HB   GLU  54          1HB       GLU  54  -4.982   6.483  -4.644
  404   2HB   GLU  54          2HB       GLU  54  -6.415   6.913  -5.557
  405   1HG   GLU  54          1HG       GLU  54  -5.344   9.328  -5.635
  406   2HG   GLU  54          2HG       GLU  54  -3.857   8.507  -5.204
  407    H    VAL  55           H        VAL  55  -5.214   6.317  -1.895
  408    HA   VAL  55           HA       VAL  55  -7.786   4.974  -1.433
  409    HB   VAL  55           HB       VAL  55  -5.912   3.259  -0.482
  410   1HG1  VAL  55          1HG1      VAL  55  -7.651   3.470  -2.788
  411   2HG1  VAL  55          2HG1      VAL  55  -6.171   2.571  -3.200
  412   3HG1  VAL  55          3HG1      VAL  55  -7.190   2.034  -1.842
  413   1HG2  VAL  55          2HG2      VAL  55  -4.108   4.799  -1.362
  414   2HG2  VAL  55          3HG2      VAL  55  -4.027   3.118  -1.942
  415   3HG2  VAL  55          1HG2      VAL  55  -4.669   4.396  -3.002
  416    H    ASP  56           H        ASP  56  -7.065   7.493  -0.206
  417    HA   ASP  56           HA       ASP  56  -7.227   6.600   2.507
  418   1HB   ASP  56          1HB       ASP  56  -4.900   6.847   2.620
  419   2HB   ASP  56          2HB       ASP  56  -4.863   8.082   1.377
  420    H    ALA  57           H        ALA  57  -9.333   7.597   2.505
  421    HA   ALA  57           HA       ALA  57  -9.531  10.358   1.636
  422   1HB   ALA  57          2HB       ALA  57 -11.209   8.209   1.444
  423   2HB   ALA  57          3HB       ALA  57 -11.844   8.998   2.908
  424   3HB   ALA  57          1HB       ALA  57 -11.748   9.904   1.379
  425    H    ASP  58           H        ASP  58  -8.715   8.591   4.455
  426    HA   ASP  58           HA       ASP  58  -9.970  10.298   6.318
  427   1HB   ASP  58          1HB       ASP  58  -9.209   8.760   7.817
  428   2HB   ASP  58          2HB       ASP  58  -8.714   7.834   6.415
  429    H    GLY  59           H        GLY  59  -6.733   9.983   4.754
  430   1HA   GLY  59          1HA       GLY  59  -5.204  11.631   4.358
  431   2HA   GLY  59          2HA       GLY  59  -6.131  12.751   5.337
  432    H    ASN  60           H        ASN  60  -5.165   9.481   6.443
  433    HA   ASN  60           HA       ASN  60  -3.928  10.665   8.707
  434   1HB   ASN  60          1HB       ASN  60  -3.615   8.331   9.456
  435   2HB   ASN  60          2HB       ASN  60  -5.237   8.520   8.822
  436   1HD2  ASN  60          2HD2      ASN  60  -3.493   5.416   7.518
  437   2HD2  ASN  60          1HD2      ASN  60  -3.679   6.119   9.090
  438    H    GLY  61           H        GLY  61  -3.006   9.648   5.507
  439   1HA   GLY  61          1HA       GLY  61  -0.908  10.164   4.603
  440   2HA   GLY  61          2HA       GLY  61  -0.169   9.996   6.183
  441    H    THR  62           H        THR  62  -1.685   7.456   6.804
  442    HA   THR  62           HA       THR  62  -0.010   5.686   5.166
  443    HB   THR  62           HB       THR  62  -1.397   4.862   7.725
  444    HG1  THR  62           HG1      THR  62   0.937   6.594   7.313
  445   1HG2  THR  62          2HG2      THR  62   0.198   3.341   6.390
  446   2HG2  THR  62          3HG2      THR  62   1.488   4.505   6.776
  447   3HG2  THR  62          1HG2      THR  62   0.665   3.623   8.084
  448    H    ILE  63           H        ILE  63  -0.975   3.418   4.841
  449    HA   ILE  63           HA       ILE  63  -3.774   3.792   4.026
  450    HB   ILE  63           HB       ILE  63  -1.528   2.260   2.719
  451   1HG1  ILE  63          1HG1      ILE  63  -2.224   4.894   2.450
  452   2HG1  ILE  63          2HG1      ILE  63  -1.381   3.939   1.247
  453   1HG2  ILE  63          3HG2      ILE  63  -4.506   2.086   2.317
  454   2HG2  ILE  63          1HG2      ILE  63  -3.376   1.782   0.975
  455   3HG2  ILE  63          2HG2      ILE  63  -3.301   0.782   2.446
  456   1HD1  ILE  63          1HD1      ILE  63  -4.415   3.940   1.358
  457   2HD1  ILE  63          2HD1      ILE  63  -3.525   5.228   0.509
  458   3HD1  ILE  63          3HD1      ILE  63  -3.353   3.534  -0.012
  459    H    ASP  64           H        ASP  64  -5.273   2.206   4.575
  460    HA   ASP  64           HA       ASP  64  -4.201   0.208   6.404
  461   1HB   ASP  64          1HB       ASP  64  -7.051   1.285   6.172
  462   2HB   ASP  64          2HB       ASP  64  -6.483   0.157   7.388
  463    H    PHE  65           H        PHE  65  -6.366  -1.578   6.498
  464    HA   PHE  65           HA       PHE  65  -6.111  -2.891   3.988
  465   1HB   PHE  65          1HB       PHE  65  -6.329  -3.816   6.438
  466   2HB   PHE  65          2HB       PHE  65  -8.035  -3.434   6.320
  467    HD1  PHE  65           HD2      PHE  65  -5.714  -4.942   3.816
  468    HD2  PHE  65           HD1      PHE  65  -9.165  -5.450   6.233
  469    HE1  PHE  65           HE2      PHE  65  -6.139  -7.170   2.741
  470    HE2  PHE  65           HE1      PHE  65  -9.590  -7.678   5.157
  471    HZ   PHE  65           HZ       PHE  65  -8.071  -8.512   3.424
  472    HA   PRO  66           HA       PRO  66 -10.688  -1.652   3.769
  473   1HB   PRO  66          1HB       PRO  66 -11.621   0.327   5.406
  474   2HB   PRO  66          2HB       PRO  66 -11.802  -1.378   5.766
  475   1HG   PRO  66          1HG       PRO  66  -9.944   0.582   6.968
  476   2HG   PRO  66          2HG       PRO  66 -10.438  -0.983   7.583
  477   1HD   PRO  66          1HD       PRO  66  -7.940  -0.343   6.327
  478   2HD   PRO  66          2HD       PRO  66  -8.480  -1.930   6.837
  479    H    GLU  67           H        GLU  67  -8.064   0.403   3.964
  480    HA   GLU  67           HA       GLU  67  -9.412   2.380   2.333
  481   1HB   GLU  67          1HB       GLU  67  -6.532   2.528   3.276
  482   2HB   GLU  67          2HB       GLU  67  -7.595   3.847   2.828
  483   1HG   GLU  67          1HG       GLU  67  -8.505   2.099   5.097
  484   2HG   GLU  67          2HG       GLU  67  -7.131   3.141   5.412
  485    H    PHE  68           H        PHE  68  -7.071  -0.265   2.211
  486    HA   PHE  68           HA       PHE  68  -6.199   0.521  -0.445
  487   1HB   PHE  68          1HB       PHE  68  -4.396  -0.363   0.812
  488   2HB   PHE  68          2HB       PHE  68  -5.445  -1.388   1.770
  489    HD1  PHE  68           HD1      PHE  68  -6.418  -3.475   0.632
  490    HD2  PHE  68           HD2      PHE  68  -3.171  -1.261  -0.966
  491    HE1  PHE  68           HE1      PHE  68  -5.751  -5.456  -0.756
  492    HE2  PHE  68           HE2      PHE  68  -2.503  -3.242  -2.355
  493    HZ   PHE  68           HZ       PHE  68  -3.801  -5.316  -2.233
  494    H    LEU  69           H        LEU  69  -8.173  -1.949   1.253
  495    HA   LEU  69           HA       LEU  69  -8.482  -3.881  -0.561
  496   1HB   LEU  69          1HB       LEU  69 -10.352  -2.551   1.340
  497   2HB   LEU  69          2HB       LEU  69 -11.022  -3.697   0.197
  498    HG   LEU  69           HG       LEU  69  -8.691  -4.397   1.988
  499   1HD1  LEU  69          1HD1      LEU  69 -11.532  -4.077   2.687
  500   2HD1  LEU  69          2HD1      LEU  69 -10.827  -5.648   3.141
  501   3HD1  LEU  69          3HD1      LEU  69 -10.086  -4.138   3.723
  502   1HD2  LEU  69          1HD2      LEU  69  -9.101  -5.814  -0.003
  503   2HD2  LEU  69          2HD2      LEU  69  -9.312  -6.684   1.536
  504   3HD2  LEU  69          3HD2      LEU  69 -10.737  -6.155   0.609
  505    H    THR  70           H        THR  70  -9.850  -0.565  -0.756
  506    HA   THR  70           HA       THR  70 -11.500  -0.985  -2.964
  507    HB   THR  70           HB       THR  70 -11.607   1.015  -1.526
  508    HG1  THR  70           HG1      THR  70 -11.598   2.510  -3.362
  509   1HG2  THR  70          2HG2      THR  70  -8.928   1.078  -1.374
  510   2HG2  THR  70          3HG2      THR  70  -9.094   2.093  -2.826
  511   3HG2  THR  70          1HG2      THR  70  -9.868   2.587  -1.301
  512    H    MET  71           H        MET  71  -8.044   0.096  -2.835
  513    HA   MET  71           HA       MET  71  -7.564   0.579  -5.384
  514   1HB   MET  71          1HB       MET  71  -6.060  -0.149  -3.091
  515   2HB   MET  71          2HB       MET  71  -5.539  -1.296  -4.309
  516   1HG   MET  71          1HG       MET  71  -5.700   1.342  -5.518
  517   2HG   MET  71          2HG       MET  71  -4.764   1.454  -4.041
  518   1HE   MET  71          1HE       MET  71  -3.535   2.327  -6.114
  519   2HE   MET  71          2HE       MET  71  -1.995   1.469  -6.358
  520   3HE   MET  71          3HE       MET  71  -3.296   1.323  -7.564
  521    H    MET  72           H        MET  72  -7.618  -2.755  -3.943
  522    HA   MET  72           HA       MET  72  -7.031  -4.053  -6.318
  523   1HB   MET  72          1HB       MET  72  -8.598  -4.928  -3.830
  524   2HB   MET  72          2HB       MET  72  -8.084  -6.047  -5.077
  525   1HG   MET  72          1HG       MET  72  -5.853  -4.348  -4.188
  526   2HG   MET  72          2HG       MET  72  -6.572  -5.208  -2.841
  527   1HE   MET  72          2HE       MET  72  -4.233  -4.978  -5.259
  528   2HE   MET  72          3HE       MET  72  -3.455  -6.575  -5.365
  529   3HE   MET  72          1HE       MET  72  -4.701  -6.112  -6.549
  530    H    ALA  73           H        ALA  73 -10.204  -3.320  -4.720
  531    HA   ALA  73           HA       ALA  73 -11.836  -4.615  -6.528
  532   1HB   ALA  73          1HB       ALA  73 -12.114  -2.277  -4.651
  533   2HB   ALA  73          2HB       ALA  73 -13.446  -2.657  -5.769
  534   3HB   ALA  73          3HB       ALA  73 -12.894  -3.876  -4.595
  535    H    ARG  74           H        ARG  74 -10.410  -1.298  -6.614
  536    HA   ARG  74           HA       ARG  74 -11.238  -1.231  -9.405
  537   1HB   ARG  74          1HB       ARG  74 -10.966   1.143  -7.491
  538   2HB   ARG  74          2HB       ARG  74 -11.404   1.261  -9.184
  539   1HG   ARG  74          1HG       ARG  74 -13.552   1.167  -8.388
  540   2HG   ARG  74          2HG       ARG  74 -13.271  -0.563  -8.359
  541   1HD   ARG  74          1HD       ARG  74 -14.186   0.253  -6.186
  542   2HD   ARG  74          2HD       ARG  74 -12.600  -0.464  -5.985
  543    HE   ARG  74           HE       ARG  74 -11.729   1.642  -5.414
  544   1HH1  ARG  74          2HH2      ARG  74 -14.923   2.033  -6.837
  545   2HH1  ARG  74          1HH2      ARG  74 -15.035   3.715  -6.438
  546   1HH2  ARG  74          2HH1      ARG  74 -11.876   3.861  -4.887
  547   2HH2  ARG  74          1HH1      ARG  74 -13.290   4.762  -5.321
  548    H    LYS  75           H        LYS  75  -9.049  -2.316  -9.684
  549    HA   LYS  75           HA       LYS  75  -6.671  -1.164  -8.892
  550   1HB   LYS  75          1HB       LYS  75  -5.811  -2.934  -9.943
  551   2HB   LYS  75          2HB       LYS  75  -7.459  -3.400 -10.309
  552   1HG   LYS  75          1HG       LYS  75  -7.232  -1.818 -12.388
  553   2HG   LYS  75          2HG       LYS  75  -5.509  -1.874 -12.074
  554   1HD   LYS  75          1HD       LYS  75  -5.435  -4.281 -12.370
  555   2HD   LYS  75          2HD       LYS  75  -7.183  -4.407 -12.344
  556   1HE   LYS  75          1HE       LYS  75  -5.935  -2.635 -14.444
  557   2HE   LYS  75          2HE       LYS  75  -5.800  -4.369 -14.656
  558   1HZ   LYS  75          1HZ       LYS  75  -8.415  -3.535 -13.902
  559   2HZ   LYS  75          2HZ       LYS  75  -7.932  -2.894 -15.324
  560   3HZ   LYS  75          3HZ       LYS  75  -7.947  -4.514 -15.122
   
  No H/Q in entry =         560
  Start of MODEL   20
    1    H    MET   0           H        MET   0 -27.059 -24.263  -4.790
    2    HA   MET   0           HA       MET   0 -29.452 -22.692  -4.228
    3   1HB   MET   0          1HB       MET   0 -29.576 -23.924  -2.030
    4   2HB   MET   0          2HB       MET   0 -29.758 -25.010  -3.393
    5   1HG   MET   0          1HG       MET   0 -27.234 -25.471  -3.234
    6   2HG   MET   0          2HG       MET   0 -27.234 -24.567  -1.733
    7   1HE   MET   0          1HE       MET   0 -27.023 -27.862  -2.989
    8   2HE   MET   0          2HE       MET   0 -28.349 -28.857  -2.340
    9   3HE   MET   0          3HE       MET   0 -28.672 -27.681  -3.636
   10    H    ALA   1           H        ALA   1 -27.096 -21.398  -4.852
   11    HA   ALA   1           HA       ALA   1 -26.674 -19.681  -2.819
   12   1HB   ALA   1          1HB       ALA   1 -25.177 -22.219  -2.415
   13   2HB   ALA   1          2HB       ALA   1 -24.228 -20.725  -2.221
   14   3HB   ALA   1          3HB       ALA   1 -25.685 -20.988  -1.233
   15    H    ASP   2           H        ASP   2 -25.066 -18.087  -3.372
   16    HA   ASP   2           HA       ASP   2 -23.128 -18.514  -5.283
   17   1HB   ASP   2          1HB       ASP   2 -25.265 -18.717  -6.720
   18   2HB   ASP   2          2HB       ASP   2 -25.540 -17.017  -6.397
   19    H    GLN   3           H        GLN   3 -22.126 -17.199  -3.556
   20    HA   GLN   3           HA       GLN   3 -21.991 -14.526  -4.116
   21   1HB   GLN   3          1HB       GLN   3 -24.390 -14.845  -2.931
   22   2HB   GLN   3          2HB       GLN   3 -23.418 -14.739  -1.477
   23   1HG   GLN   3          1HG       GLN   3 -22.361 -12.643  -2.893
   24   2HG   GLN   3          2HG       GLN   3 -23.992 -12.643  -3.535
   25   1HE2  GLN   3          2HE2      GLN   3 -25.495 -11.212  -0.770
   26   2HE2  GLN   3          1HE2      GLN   3 -25.571 -11.747  -2.416
   27    H    LEU   4           H        LEU   4 -20.010 -13.896  -3.340
   28    HA   LEU   4           HA       LEU   4 -18.697 -15.676  -1.496
   29   1HB   LEU   4          1HB       LEU   4 -16.765 -14.102  -1.940
   30   2HB   LEU   4          2HB       LEU   4 -17.360 -15.060  -3.281
   31    HG   LEU   4           HG       LEU   4 -18.612 -12.403  -3.082
   32   1HD1  LEU   4          3HD1      LEU   4 -16.340 -11.874  -2.257
   33   2HD1  LEU   4          1HD1      LEU   4 -15.661 -12.562  -3.752
   34   3HD1  LEU   4          2HD1      LEU   4 -16.705 -11.122  -3.828
   35   1HD2  LEU   4          3HD2      LEU   4 -18.894 -13.992  -4.971
   36   2HD2  LEU   4          1HD2      LEU   4 -18.285 -12.394  -5.467
   37   3HD2  LEU   4          2HD2      LEU   4 -17.171 -13.779  -5.364
   38    H    THR   5           H        THR   5 -17.171 -14.368   0.183
   39    HA   THR   5           HA       THR   5 -18.580 -12.158   1.401
   40    HB   THR   5           HB       THR   5 -19.388 -13.293   3.272
   41    HG1  THR   5           HG1      THR   5 -17.347 -15.303   2.626
   42   1HG2  THR   5          3HG2      THR   5 -19.069 -15.637   1.323
   43   2HG2  THR   5          1HG2      THR   5 -20.150 -15.604   2.736
   44   3HG2  THR   5          2HG2      THR   5 -20.454 -14.520   1.357
   45    H    GLU   6           H        GLU   6 -17.292 -12.258   3.913
   46    HA   GLU   6           HA       GLU   6 -14.998 -10.974   3.380
   47   1HB   GLU   6          1HB       GLU   6 -15.774 -12.649   5.799
   48   2HB   GLU   6          2HB       GLU   6 -14.323 -11.667   5.772
   49   1HG   GLU   6          1HG       GLU   6 -15.846  -9.684   5.099
   50   2HG   GLU   6          2HG       GLU   6 -17.206 -10.714   5.498
   51    H    GLU   7           H        GLU   7 -15.552 -14.486   3.509
   52    HA   GLU   7           HA       GLU   7 -13.178 -15.546   3.938
   53   1HB   GLU   7          1HB       GLU   7 -15.071 -16.249   1.654
   54   2HB   GLU   7          2HB       GLU   7 -13.770 -17.289   2.197
   55   1HG   GLU   7          1HG       GLU   7 -15.292 -16.453   4.515
   56   2HG   GLU   7          2HG       GLU   7 -16.413 -17.035   3.301
   57    H    GLN   8           H        GLN   8 -14.156 -13.814   0.935
   58    HA   GLN   8           HA       GLN   8 -11.819 -14.422  -0.463
   59   1HB   GLN   8          1HB       GLN   8 -14.240 -12.911  -0.880
   60   2HB   GLN   8          2HB       GLN   8 -12.886 -11.898  -1.340
   61   1HG   GLN   8          1HG       GLN   8 -13.222 -13.058  -3.334
   62   2HG   GLN   8          2HG       GLN   8 -12.027 -14.092  -2.577
   63   1HE2  GLN   8          2HE2      GLN   8 -14.246 -16.746  -1.753
   64   2HE2  GLN   8          1HE2      GLN   8 -12.816 -15.899  -1.264
   65    H    ILE   9           H        ILE   9 -12.836 -11.572   1.527
   66    HA   ILE   9           HA       ILE   9 -10.632  -9.985   1.087
   67    HB   ILE   9           HB       ILE   9 -12.921  -9.843   2.551
   68   1HG1  ILE   9          1HG1      ILE   9 -11.623  -7.639   3.433
   69   2HG1  ILE   9          2HG1      ILE   9 -10.539  -8.114   2.140
   70   1HG2  ILE   9          1HG2      ILE   9 -10.618 -10.035   4.506
   71   2HG2  ILE   9          2HG2      ILE   9 -12.194  -9.299   4.883
   72   3HG2  ILE   9          3HG2      ILE   9 -12.097 -11.025   4.459
   73   1HD1  ILE   9          3HD1      ILE   9 -13.458  -8.215   1.485
   74   2HD1  ILE   9          1HD1      ILE   9 -12.758  -6.597   1.730
   75   3HD1  ILE   9          2HD1      ILE   9 -12.085  -7.678   0.486
   76    H    ALA  10           H        ALA  10 -11.143 -12.507   3.646
   77    HA   ALA  10           HA       ALA  10  -8.895 -12.308   5.071
   78   1HB   ALA  10          1HB       ALA  10 -10.415 -14.700   4.017
   79   2HB   ALA  10          2HB       ALA  10  -8.991 -14.918   5.062
   80   3HB   ALA  10          3HB       ALA  10 -10.402 -14.011   5.658
   81    H    GLU  11           H        GLU  11  -9.180 -13.541   1.713
   82    HA   GLU  11           HA       GLU  11  -6.536 -14.472   1.609
   83   1HB   GLU  11          1HB       GLU  11  -8.398 -13.643  -0.662
   84   2HB   GLU  11          2HB       GLU  11  -6.939 -14.596  -0.844
   85   1HG   GLU  11          1HG       GLU  11  -7.871 -16.418   0.495
   86   2HG   GLU  11          2HG       GLU  11  -9.256 -15.445   0.952
   87    H    PHE  12           H        PHE  12  -8.167 -11.436   0.479
   88    HA   PHE  12           HA       PHE  12  -6.040 -10.240  -0.742
   89   1HB   PHE  12          1HB       PHE  12  -8.440  -9.357   0.913
   90   2HB   PHE  12          2HB       PHE  12  -7.305  -8.124   0.400
   91    HD1  PHE  12           HD1      PHE  12  -9.545 -10.790  -0.875
   92    HD2  PHE  12           HD2      PHE  12  -7.383  -7.254  -1.782
   93    HE1  PHE  12           HE1      PHE  12 -10.693 -10.660  -3.103
   94    HE2  PHE  12           HE2      PHE  12  -8.530  -7.123  -4.011
   95    HZ   PHE  12           HZ       PHE  12 -10.172  -8.828  -4.645
   96    H    LYS  13           H        LYS  13  -6.645 -10.732   2.725
   97    HA   LYS  13           HA       LYS  13  -5.221  -8.822   3.941
   98   1HB   LYS  13          1HB       LYS  13  -5.281 -11.795   4.513
   99   2HB   LYS  13          2HB       LYS  13  -4.561 -10.625   5.600
  100   1HG   LYS  13          1HG       LYS  13  -6.859  -9.355   5.397
  101   2HG   LYS  13          2HG       LYS  13  -7.470 -10.872   4.765
  102   1HD   LYS  13          1HD       LYS  13  -7.238 -11.985   6.798
  103   2HD   LYS  13          2HD       LYS  13  -5.856 -11.028   7.294
  104   1HE   LYS  13          1HE       LYS  13  -7.287  -9.108   7.819
  105   2HE   LYS  13          2HE       LYS  13  -8.687  -9.897   7.122
  106   1HZ   LYS  13          1HZ       LYS  13  -7.642 -11.624   8.992
  107   2HZ   LYS  13          2HZ       LYS  13  -7.667 -10.154   9.702
  108   3HZ   LYS  13          3HZ       LYS  13  -9.041 -10.787   9.086
  109    H    GLU  14           H        GLU  14  -3.696 -11.915   2.777
  110    HA   GLU  14           HA       GLU  14  -1.137 -11.230   3.248
  111   1HB   GLU  14          1HB       GLU  14  -2.248 -12.815   0.891
  112   2HB   GLU  14          2HB       GLU  14  -0.560 -12.812   1.365
  113   1HG   GLU  14          1HG       GLU  14  -1.635 -13.417   3.776
  114   2HG   GLU  14          2HG       GLU  14  -2.927 -14.035   2.766
  115    H    ALA  15           H        ALA  15  -3.169 -10.355   0.402
  116    HA   ALA  15           HA       ALA  15  -1.264  -9.288  -1.240
  117   1HB   ALA  15          3HB       ALA  15  -3.869  -9.587  -1.446
  118   2HB   ALA  15          1HB       ALA  15  -3.920  -7.915  -0.838
  119   3HB   ALA  15          2HB       ALA  15  -3.057  -8.286  -2.350
  120    H    PHE  16           H        PHE  16  -3.170  -7.528   1.312
  121    HA   PHE  16           HA       PHE  16  -1.913  -5.106   1.053
  122   1HB   PHE  16          1HB       PHE  16  -3.950  -5.747   2.451
  123   2HB   PHE  16          2HB       PHE  16  -2.893  -6.590   3.567
  124    HD1  PHE  16           HD2      PHE  16  -3.387  -3.202   2.084
  125    HD2  PHE  16           HD1      PHE  16  -2.123  -5.470   5.440
  126    HE1  PHE  16           HE2      PHE  16  -3.092  -1.087   3.402
  127    HE2  PHE  16           HE1      PHE  16  -1.827  -3.355   6.758
  128    HZ   PHE  16           HZ       PHE  16  -2.316  -1.188   5.724
  129    H    SER  17           H        SER  17  -0.862  -8.061   2.789
  130    HA   SER  17           HA       SER  17   1.091  -6.918   4.338
  131   1HB   SER  17          1HB       SER  17   0.160  -9.371   4.218
  132   2HB   SER  17          2HB       SER  17   1.429  -9.638   3.039
  133    HG   SER  17           HG       SER  17   1.634  -9.080   5.832
  134    H    LEU  18           H        LEU  18   1.293  -8.332   0.997
  135    HA   LEU  18           HA       LEU  18   3.900  -8.174   0.458
  136   1HB   LEU  18          1HB       LEU  18   1.437  -8.047  -1.039
  137   2HB   LEU  18          2HB       LEU  18   2.657  -7.041  -1.796
  138    HG   LEU  18           HG       LEU  18   4.079  -9.336  -1.282
  139   1HD1  LEU  18          3HD1      LEU  18   1.193 -10.065  -1.686
  140   2HD1  LEU  18          1HD1      LEU  18   2.486 -11.109  -2.325
  141   3HD1  LEU  18          2HD1      LEU  18   2.401 -10.765  -0.581
  142   1HD2  LEU  18          2HD2      LEU  18   2.785  -8.089  -3.632
  143   2HD2  LEU  18          3HD2      LEU  18   4.478  -8.568  -3.362
  144   3HD2  LEU  18          1HD2      LEU  18   3.269  -9.791  -3.822
  145    H    PHE  19           H        PHE  19   1.609  -5.365   0.314
  146    HA   PHE  19           HA       PHE  19   3.719  -3.544  -0.245
  147   1HB   PHE  19          1HB       PHE  19   0.789  -3.400   0.653
  148   2HB   PHE  19          2HB       PHE  19   1.727  -1.937   0.428
  149    HD1  PHE  19           HD2      PHE  19   2.713  -1.483  -1.871
  150    HD2  PHE  19           HD1      PHE  19  -0.212  -4.480  -1.181
  151    HE1  PHE  19           HE2      PHE  19   2.152  -1.499  -4.317
  152    HE2  PHE  19           HE1      PHE  19  -0.772  -4.496  -3.628
  153    HZ   PHE  19           HZ       PHE  19   0.417  -3.005  -5.167
  154    H    ASP  20           H        ASP  20   1.808  -4.472   2.680
  155    HA   ASP  20           HA       ASP  20   3.210  -2.558   4.255
  156   1HB   ASP  20          1HB       ASP  20   0.907  -3.067   4.838
  157   2HB   ASP  20          2HB       ASP  20   1.232  -4.789   4.882
  158    H    LYS  21           H        LYS  21   5.443  -3.155   4.335
  159    HA   LYS  21           HA       LYS  21   6.295  -5.827   4.567
  160   1HB   LYS  21          1HB       LYS  21   7.654  -4.020   3.592
  161   2HB   LYS  21          2HB       LYS  21   7.757  -3.235   5.155
  162   1HG   LYS  21          1HG       LYS  21   8.522  -6.079   5.304
  163   2HG   LYS  21          2HG       LYS  21   9.511  -5.197   4.157
  164   1HD   LYS  21          1HD       LYS  21   9.386  -3.425   6.307
  165   2HD   LYS  21          2HD       LYS  21   9.407  -4.980   7.113
  166   1HE   LYS  21          1HE       LYS  21  11.482  -5.622   6.026
  167   2HE   LYS  21          2HE       LYS  21  11.394  -4.273   4.911
  168   1HZ   LYS  21          1HZ       LYS  21  11.356  -2.955   7.152
  169   2HZ   LYS  21          2HZ       LYS  21  12.138  -4.279   7.703
  170   3HZ   LYS  21          3HZ       LYS  21  12.761  -3.420   6.462
  171    H    ASP  22           H        ASP  22   6.380  -3.117   6.995
  172    HA   ASP  22           HA       ASP  22   7.161  -4.559   9.116
  173   1HB   ASP  22          1HB       ASP  22   4.935  -2.483   9.273
  174   2HB   ASP  22          2HB       ASP  22   6.122  -2.852  10.508
  175    H    GLY  23           H        GLY  23   4.102  -4.662   7.375
  176   1HA   GLY  23          1HA       GLY  23   2.232  -5.883   7.615
  177   2HA   GLY  23          2HA       GLY  23   3.184  -6.996   8.579
  178    H    ASP  24           H        ASP  24   3.139  -3.699   9.739
  179    HA   ASP  24           HA       ASP  24   2.085  -4.423  12.169
  180   1HB   ASP  24          1HB       ASP  24   1.799  -1.920  12.498
  181   2HB   ASP  24          2HB       ASP  24   3.399  -2.410  11.977
  182    H    GLY  25           H        GLY  25   0.604  -3.398   9.104
  183   1HA   GLY  25          1HA       GLY  25  -1.727  -4.200   8.881
  184   2HA   GLY  25          2HA       GLY  25  -2.059  -3.383  10.395
  185    H    THR  26           H        THR  26   0.302  -1.589   8.737
  186    HA   THR  26           HA       THR  26  -1.681  -0.046   7.229
  187    HB   THR  26           HB       THR  26  -0.662   2.038   8.291
  188    HG1  THR  26           HG1      THR  26   0.511   1.407  10.349
  189   1HG2  THR  26          2HG2      THR  26  -1.889  -0.009  10.214
  190   2HG2  THR  26          3HG2      THR  26  -1.689   1.722  10.575
  191   3HG2  THR  26          1HG2      THR  26  -2.783   1.206   9.269
  192    H    ILE  27           H        ILE  27  -0.863   1.111   5.451
  193    HA   ILE  27           HA       ILE  27   1.894   0.342   4.783
  194    HB   ILE  27           HB       ILE  27  -0.520   0.678   3.002
  195   1HG1  ILE  27          1HG1      ILE  27   1.179  -1.780   3.496
  196   2HG1  ILE  27          2HG1      ILE  27  -0.307  -1.443   4.362
  197   1HG2  ILE  27          1HG2      ILE  27   1.580   1.592   2.004
  198   2HG2  ILE  27          2HG2      ILE  27   2.303  -0.026   2.168
  199   3HG2  ILE  27          3HG2      ILE  27   0.883   0.212   1.121
  200   1HD1  ILE  27          1HD1      ILE  27  -1.531  -1.311   2.167
  201   2HD1  ILE  27          2HD1      ILE  27  -0.020  -1.760   1.339
  202   3HD1  ILE  27          3HD1      ILE  27  -0.796  -2.906   2.458
  203    H    THR  28           H        THR  28   3.314   1.991   4.667
  204    HA   THR  28           HA       THR  28   2.208   4.699   4.550
  205    HB   THR  28           HB       THR  28   3.727   4.062   6.437
  206    HG1  THR  28           HG1      THR  28   3.883   6.239   5.729
  207   1HG2  THR  28          2HG2      THR  28   5.547   3.364   4.107
  208   2HG2  THR  28          3HG2      THR  28   6.252   4.000   5.612
  209   3HG2  THR  28          1HG2      THR  28   5.313   2.488   5.639
  210    H    THR  29           H        THR  29   4.793   5.809   3.627
  211    HA   THR  29           HA       THR  29   4.218   5.579   0.810
  212    HB   THR  29           HB       THR  29   6.184   7.335   0.848
  213    HG1  THR  29           HG1      THR  29   6.956   7.628   2.907
  214   1HG2  THR  29          2HG2      THR  29   3.572   7.768   2.385
  215   2HG2  THR  29          3HG2      THR  29   4.701   9.083   1.980
  216   3HG2  THR  29          1HG2      THR  29   3.889   8.175   0.682
  217    H    LYS  30           H        LYS  30   7.146   5.050   2.891
  218    HA   LYS  30           HA       LYS  30   8.728   4.019   0.881
  219   1HB   LYS  30          1HB       LYS  30   9.147   4.668   3.430
  220   2HB   LYS  30          2HB       LYS  30   8.964   2.941   3.662
  221   1HG   LYS  30          1HG       LYS  30  10.796   2.430   2.198
  222   2HG   LYS  30          2HG       LYS  30  10.792   4.033   1.491
  223   1HD   LYS  30          1HD       LYS  30  11.908   4.997   3.298
  224   2HD   LYS  30          2HD       LYS  30  11.238   3.870   4.459
  225   1HE   LYS  30          1HE       LYS  30  12.941   2.356   4.172
  226   2HE   LYS  30          2HE       LYS  30  12.976   2.572   2.433
  227   1HZ   LYS  30          2HZ       LYS  30  14.067   4.739   2.880
  228   2HZ   LYS  30          3HZ       LYS  30  14.202   4.312   4.450
  229   3HZ   LYS  30          1HZ       LYS  30  14.959   3.437   3.298
  230    H    GLU  31           H        GLU  31   6.792   2.157   3.336
  231    HA   GLU  31           HA       GLU  31   7.242  -0.310   2.437
  232   1HB   GLU  31          1HB       GLU  31   4.593   0.856   3.396
  233   2HB   GLU  31          2HB       GLU  31   4.906  -0.863   3.260
  234   1HG   GLU  31          1HG       GLU  31   6.815  -0.657   4.851
  235   2HG   GLU  31          2HG       GLU  31   6.543   1.071   4.968
  236    H    LEU  32           H        LEU  32   5.174   2.178   0.925
  237    HA   LEU  32           HA       LEU  32   4.004   0.356  -0.935
  238   1HB   LEU  32          1HB       LEU  32   3.257   2.727   0.029
  239   2HB   LEU  32          2HB       LEU  32   4.073   3.291  -1.415
  240    HG   LEU  32           HG       LEU  32   2.464   1.216  -2.347
  241   1HD1  LEU  32          1HD1      LEU  32   1.278   2.400   0.077
  242   2HD1  LEU  32          2HD1      LEU  32   0.214   2.385  -1.350
  243   3HD1  LEU  32          3HD1      LEU  32   0.924   0.866  -0.753
  244   1HD2  LEU  32          1HD2      LEU  32   2.032   4.214  -2.333
  245   2HD2  LEU  32          2HD2      LEU  32   2.872   3.241  -3.565
  246   3HD2  LEU  32          3HD2      LEU  32   1.116   3.066  -3.339
  247    H    GLY  33           H        GLY  33   6.521   2.966  -1.126
  248   1HA   GLY  33          1HA       GLY  33   7.194   2.550  -3.809
  249   2HA   GLY  33          2HA       GLY  33   8.202   3.290  -2.581
  250    H    THR  34           H        THR  34   7.665   0.513  -1.041
  251    HA   THR  34           HA       THR  34  10.160  -0.618  -1.812
  252    HB   THR  34           HB       THR  34   8.023  -0.997   0.242
  253    HG1  THR  34           HG1      THR  34  10.029   0.026   0.737
  254   1HG2  THR  34          3HG2      THR  34   9.841  -3.262  -0.720
  255   2HG2  THR  34          1HG2      THR  34   9.172  -3.194   0.928
  256   3HG2  THR  34          2HG2      THR  34   8.080  -3.326  -0.471
  257    H    VAL  35           H        VAL  35   6.892  -2.191  -1.763
  258    HA   VAL  35           HA       VAL  35   7.561  -4.323  -3.318
  259    HB   VAL  35           HB       VAL  35   5.060  -2.805  -2.748
  260   1HG1  VAL  35          2HG1      VAL  35   5.377  -4.834  -4.959
  261   2HG1  VAL  35          3HG1      VAL  35   3.838  -4.661  -4.080
  262   3HG1  VAL  35          1HG1      VAL  35   4.514  -3.277  -4.973
  263   1HG2  VAL  35          3HG2      VAL  35   6.223  -5.507  -2.144
  264   2HG2  VAL  35          1HG2      VAL  35   5.511  -4.299  -1.047
  265   3HG2  VAL  35          2HG2      VAL  35   4.458  -5.283  -2.091
  266    H    MET  36           H        MET  36   7.224  -0.951  -4.238
  267    HA   MET  36           HA       MET  36   6.721  -1.433  -6.961
  268   1HB   MET  36          1HB       MET  36   7.967   0.964  -5.502
  269   2HB   MET  36          2HB       MET  36   7.408   1.008  -7.162
  270   1HG   MET  36          1HG       MET  36   5.292  -0.078  -5.493
  271   2HG   MET  36          2HG       MET  36   5.865   1.415  -4.777
  272   1HE   MET  36          3HE       MET  36   3.126   0.454  -6.169
  273   2HE   MET  36          1HE       MET  36   2.729   1.301  -7.684
  274   3HE   MET  36          2HE       MET  36   3.769  -0.143  -7.718
  275    H    ARG  37           H        ARG  37   9.697  -0.848  -5.003
  276    HA   ARG  37           HA       ARG  37  11.383  -0.722  -7.219
  277   1HB   ARG  37          1HB       ARG  37  11.797  -1.232  -4.250
  278   2HB   ARG  37          2HB       ARG  37  13.153  -1.352  -5.353
  279   1HG   ARG  37          1HG       ARG  37  13.293   0.913  -5.614
  280   2HG   ARG  37          2HG       ARG  37  11.562   1.086  -5.823
  281   1HD   ARG  37          1HD       ARG  37  11.747   0.433  -3.121
  282   2HD   ARG  37          2HD       ARG  37  13.202   1.379  -3.363
  283    HE   ARG  37           HE       ARG  37  10.428   2.344  -3.559
  284   1HH1  ARG  37          2HH2      ARG  37  13.802   2.988  -4.321
  285   2HH1  ARG  37          1HH2      ARG  37  13.570   4.695  -4.494
  286   1HH2  ARG  37          1HH1      ARG  37  11.462   5.617  -4.188
  287   2HH2  ARG  37          2HH1      ARG  37  10.121   4.597  -3.787
  288    H    SER  38           H        SER  38   9.824  -3.348  -5.505
  289    HA   SER  38           HA       SER  38  11.697  -5.247  -6.657
  290   1HB   SER  38          1HB       SER  38   9.721  -5.356  -4.374
  291   2HB   SER  38          2HB       SER  38  10.180  -6.850  -5.165
  292    HG   SER  38           HG       SER  38  11.506  -6.100  -3.245
  293    H    LEU  39           H        LEU  39  10.053  -3.923  -8.509
  294    HA   LEU  39           HA       LEU  39   8.604  -6.148  -9.575
  295   1HB   LEU  39          1HB       LEU  39   7.104  -4.781  -7.879
  296   2HB   LEU  39          2HB       LEU  39   6.938  -3.694  -9.244
  297    HG   LEU  39           HG       LEU  39   6.478  -6.303 -10.251
  298   1HD1  LEU  39          2HD1      LEU  39   6.127  -6.678  -7.666
  299   2HD1  LEU  39          3HD1      LEU  39   4.558  -5.902  -7.992
  300   3HD1  LEU  39          1HD1      LEU  39   5.015  -7.387  -8.862
  301   1HD2  LEU  39          2HD2      LEU  39   5.517  -4.036 -10.910
  302   2HD2  LEU  39          3HD2      LEU  39   4.406  -5.427 -10.935
  303   3HD2  LEU  39          1HD2      LEU  39   4.351  -4.268  -9.585
  304    H    GLY  40           H        GLY  40   9.383  -2.626  -9.685
  305   1HA   GLY  40          1HA       GLY  40  10.887  -2.274 -11.730
  306   2HA   GLY  40          2HA       GLY  40   9.477  -2.805 -12.626
  307    H    GLN  41           H        GLN  41   9.636  -0.779  -9.626
  308    HA   GLN  41           HA       GLN  41   8.816   1.496 -11.205
  309   1HB   GLN  41          1HB       GLN  41   7.128   0.117  -9.129
  310   2HB   GLN  41          2HB       GLN  41   7.067   1.867  -9.199
  311   1HG   GLN  41          1HG       GLN  41   6.131   1.897 -11.349
  312   2HG   GLN  41          2HG       GLN  41   6.837   0.358 -11.799
  313   1HE2  GLN  41          2HE2      GLN  41   3.296   0.582  -9.673
  314   2HE2  GLN  41          1HE2      GLN  41   4.410   1.906  -9.755
  315    H    ASN  42           H        ASN  42   8.498   3.463  -9.444
  316    HA   ASN  42           HA       ASN  42   9.887   3.353  -7.091
  317   1HB   ASN  42          1HB       ASN  42  11.795   2.998  -8.919
  318   2HB   ASN  42          2HB       ASN  42  11.628   4.724  -9.172
  319   1HD2  ASN  42          2HD2      ASN  42  14.114   3.582  -6.416
  320   2HD2  ASN  42          1HD2      ASN  42  13.684   2.839  -7.921
  321    HA   PRO  43           HA       PRO  43   7.674   7.171  -8.429
  322   1HB   PRO  43          1HB       PRO  43   5.480   6.976  -6.812
  323   2HB   PRO  43          2HB       PRO  43   5.498   6.422  -8.475
  324   1HG   PRO  43          1HG       PRO  43   5.596   4.826  -5.989
  325   2HG   PRO  43          2HG       PRO  43   5.189   4.306  -7.612
  326   1HD   PRO  43          1HD       PRO  43   7.664   3.855  -6.235
  327   2HD   PRO  43          2HD       PRO  43   7.298   3.437  -7.897
  328    H    THR  44           H        THR  44   8.593   8.976  -7.712
  329    HA   THR  44           HA       THR  44   9.976   9.174  -5.404
  330    HB   THR  44           HB       THR  44   9.417  11.695  -5.664
  331    HG1  THR  44           HG1      THR  44   7.543  11.914  -6.821
  332   1HG2  THR  44          1HG2      THR  44  11.175  10.281  -7.098
  333   2HG2  THR  44          2HG2      THR  44   9.974  10.501  -8.394
  334   3HG2  THR  44          3HG2      THR  44  10.720  11.920  -7.621
  335    H    GLU  45           H        GLU  45   9.603  10.258  -3.332
  336    HA   GLU  45           HA       GLU  45   7.538   9.078  -1.982
  337   1HB   GLU  45          1HB       GLU  45   9.614  11.099  -1.429
  338   2HB   GLU  45          2HB       GLU  45   8.175  11.336  -0.457
  339   1HG   GLU  45          1HG       GLU  45   8.309   8.770   0.030
  340   2HG   GLU  45          2HG       GLU  45   9.937   8.861  -0.613
  341    H    ALA  46           H        ALA  46   7.650  12.096  -3.828
  342    HA   ALA  46           HA       ALA  46   5.362  13.280  -2.662
  343   1HB   ALA  46          1HB       ALA  46   6.832  13.652  -5.297
  344   2HB   ALA  46          2HB       ALA  46   5.460  14.667  -4.790
  345   3HB   ALA  46          3HB       ALA  46   6.957  14.648  -3.827
  346    H    GLU  47           H        GLU  47   5.941  11.239  -5.596
  347    HA   GLU  47           HA       GLU  47   3.373  11.327  -6.548
  348   1HB   GLU  47          1HB       GLU  47   5.425  10.390  -7.705
  349   2HB   GLU  47          2HB       GLU  47   5.282   8.955  -6.709
  350   1HG   GLU  47          1HG       GLU  47   3.838   8.108  -8.237
  351   2HG   GLU  47          2HG       GLU  47   2.684   9.339  -7.762
  352    H    LEU  48           H        LEU  48   4.907   8.771  -4.457
  353    HA   LEU  48           HA       LEU  48   2.742   7.177  -4.088
  354   1HB   LEU  48          1HB       LEU  48   4.885   7.938  -2.099
  355   2HB   LEU  48          2HB       LEU  48   3.783   6.588  -1.910
  356    HG   LEU  48           HG       LEU  48   5.402   6.701  -4.417
  357   1HD1  LEU  48          3HD1      LEU  48   6.544   6.194  -1.674
  358   2HD1  LEU  48          1HD1      LEU  48   7.242   5.455  -3.135
  359   3HD1  LEU  48          2HD1      LEU  48   7.171   7.227  -2.981
  360   1HD2  LEU  48          2HD2      LEU  48   3.976   4.699  -2.781
  361   2HD2  LEU  48          3HD2      LEU  48   4.237   4.783  -4.540
  362   3HD2  LEU  48          1HD2      LEU  48   5.521   4.156  -3.479
  363    H    GLN  49           H        GLN  49   3.672   9.995  -1.985
  364    HA   GLN  49           HA       GLN  49   1.708   9.977  -0.229
  365   1HB   GLN  49          1HB       GLN  49   3.584  11.791  -0.913
  366   2HB   GLN  49          2HB       GLN  49   2.187  12.631  -1.556
  367   1HG   GLN  49          1HG       GLN  49   2.161  13.437   0.628
  368   2HG   GLN  49          2HG       GLN  49   1.111  12.046   0.813
  369   1HE2  GLN  49          2HE2      GLN  49   3.024  10.735   3.364
  370   2HE2  GLN  49          1HE2      GLN  49   1.484  11.106   2.663
  371    H    ASP  50           H        ASP  50   1.412  11.162  -3.631
  372    HA   ASP  50           HA       ASP  50  -1.213  12.034  -3.350
  373   1HB   ASP  50          1HB       ASP  50   0.765  11.937  -5.375
  374   2HB   ASP  50          2HB       ASP  50  -0.568  11.004  -6.027
  375    H    MET  51           H        MET  51   0.325   8.951  -4.481
  376    HA   MET  51           HA       MET  51  -2.004   7.705  -5.295
  377   1HB   MET  51          1HB       MET  51   0.559   6.501  -4.106
  378   2HB   MET  51          2HB       MET  51  -0.614   5.610  -5.056
  379   1HG   MET  51          1HG       MET  51  -0.112   6.857  -7.055
  380   2HG   MET  51          2HG       MET  51   0.730   8.108  -6.163
  381   1HE   MET  51          1HE       MET  51   0.930   5.859  -8.463
  382   2HE   MET  51          2HE       MET  51   2.670   5.510  -8.605
  383   3HE   MET  51          3HE       MET  51   1.583   4.322  -7.846
  384    H    ILE  52           H        ILE  52  -0.392   7.916  -2.088
  385    HA   ILE  52           HA       ILE  52  -2.139   6.020  -0.879
  386    HB   ILE  52           HB       ILE  52  -0.173   8.031   0.206
  387   1HG1  ILE  52          1HG1      ILE  52  -0.082   5.114  -0.487
  388   2HG1  ILE  52          2HG1      ILE  52   1.073   6.383  -0.843
  389   1HG2  ILE  52          2HG2      ILE  52  -2.316   6.805   1.602
  390   2HG2  ILE  52          3HG2      ILE  52  -0.816   5.993   2.109
  391   3HG2  ILE  52          1HG2      ILE  52  -0.965   7.760   2.257
  392   1HD1  ILE  52          2HD1      ILE  52   1.112   6.431   1.909
  393   2HD1  ILE  52          3HD1      ILE  52   0.796   4.708   1.597
  394   3HD1  ILE  52          1HD1      ILE  52   2.241   5.486   0.909
  395    H    ASN  53           H        ASN  53  -2.182   9.493  -1.556
  396    HA   ASN  53           HA       ASN  53  -4.303   9.934   0.307
  397   1HB   ASN  53          1HB       ASN  53  -2.822  11.632  -1.738
  398   2HB   ASN  53          2HB       ASN  53  -4.306  12.235  -1.029
  399   1HD2  ASN  53          2HD2      ASN  53  -1.303  13.362   0.929
  400   2HD2  ASN  53          1HD2      ASN  53  -1.774  13.408  -0.737
  401    H    GLU  54           H        GLU  54  -4.265   8.154  -2.373
  402    HA   GLU  54           HA       GLU  54  -6.506   9.436  -3.691
  403   1HB   GLU  54          1HB       GLU  54  -4.629   7.181  -4.483
  404   2HB   GLU  54          2HB       GLU  54  -6.102   7.500  -5.378
  405   1HG   GLU  54          1HG       GLU  54  -4.763  10.023  -4.970
  406   2HG   GLU  54          2HG       GLU  54  -3.570   8.877  -5.548
  407    H    VAL  55           H        VAL  55  -5.688   6.899  -1.449
  408    HA   VAL  55           HA       VAL  55  -8.388   5.783  -1.775
  409    HB   VAL  55           HB       VAL  55  -7.052   3.868  -0.423
  410   1HG1  VAL  55          3HG1      VAL  55  -8.443   3.830  -2.602
  411   2HG1  VAL  55          1HG1      VAL  55  -6.876   3.964  -3.435
  412   3HG1  VAL  55          2HG1      VAL  55  -7.202   2.575  -2.371
  413   1HG2  VAL  55          2HG2      VAL  55  -4.927   5.265  -0.703
  414   2HG2  VAL  55          3HG2      VAL  55  -4.838   3.555  -1.191
  415   3HG2  VAL  55          1HG2      VAL  55  -4.997   4.826  -2.427
  416    H    ASP  56           H        ASP  56  -5.788   6.885   0.446
  417    HA   ASP  56           HA       ASP  56  -7.246   6.363   2.770
  418   1HB   ASP  56          1HB       ASP  56  -4.855   6.665   2.916
  419   2HB   ASP  56          2HB       ASP  56  -4.925   8.213   2.098
  420    H    ALA  57           H        ALA  57  -9.400   7.293   2.344
  421    HA   ALA  57           HA       ALA  57  -9.642  10.060   1.680
  422   1HB   ALA  57          1HB       ALA  57 -11.247   7.768   1.582
  423   2HB   ALA  57          2HB       ALA  57 -12.008   8.782   2.832
  424   3HB   ALA  57          3HB       ALA  57 -11.751   9.431   1.194
  425    H    ASP  58           H        ASP  58  -8.849   8.331   4.520
  426    HA   ASP  58           HA       ASP  58 -10.233  10.034   6.318
  427   1HB   ASP  58          1HB       ASP  58  -9.561   8.513   7.882
  428   2HB   ASP  58          2HB       ASP  58  -9.065   7.548   6.505
  429    H    GLY  59           H        GLY  59  -7.091   9.868   4.662
  430   1HA   GLY  59          1HA       GLY  59  -5.465  11.419   4.438
  431   2HA   GLY  59          2HA       GLY  59  -6.429  12.550   5.367
  432    H    ASN  60           H        ASN  60  -5.502   9.282   6.523
  433    HA   ASN  60           HA       ASN  60  -4.459  10.409   8.879
  434   1HB   ASN  60          1HB       ASN  60  -3.888   8.023   9.437
  435   2HB   ASN  60          2HB       ASN  60  -5.545   8.191   8.893
  436   1HD2  ASN  60          2HD2      ASN  60  -4.215   5.246   7.173
  437   2HD2  ASN  60          1HD2      ASN  60  -4.617   5.763   8.776
  438    H    GLY  61           H        GLY  61  -3.220   9.499   5.714
  439   1HA   GLY  61          1HA       GLY  61  -1.099  10.383   5.048
  440   2HA   GLY  61          2HA       GLY  61  -0.466  10.025   6.643
  441    H    THR  62           H        THR  62  -1.783   7.368   6.879
  442    HA   THR  62           HA       THR  62  -0.045   5.921   4.996
  443    HB   THR  62           HB       THR  62   0.284   5.866   7.597
  444    HG1  THR  62           HG1      THR  62   1.263   4.012   6.890
  445   1HG2  THR  62          3HG2      THR  62  -2.153   5.440   8.149
  446   2HG2  THR  62          1HG2      THR  62  -2.043   3.901   7.262
  447   3HG2  THR  62          2HG2      THR  62  -1.077   4.149   8.736
  448    H    ILE  63           H        ILE  63  -1.041   3.404   5.072
  449    HA   ILE  63           HA       ILE  63  -3.830   3.737   4.222
  450    HB   ILE  63           HB       ILE  63  -1.636   2.239   2.787
  451   1HG1  ILE  63          1HG1      ILE  63  -2.342   4.926   2.637
  452   2HG1  ILE  63          2HG1      ILE  63  -1.395   4.019   1.474
  453   1HG2  ILE  63          3HG2      ILE  63  -4.605   2.371   2.193
  454   2HG2  ILE  63          1HG2      ILE  63  -3.364   1.661   1.132
  455   3HG2  ILE  63          2HG2      ILE  63  -3.688   0.942   2.727
  456   1HD1  ILE  63          2HD1      ILE  63  -4.442   4.212   1.428
  457   2HD1  ILE  63          3HD1      ILE  63  -3.347   5.197   0.428
  458   3HD1  ILE  63          1HD1      ILE  63  -3.415   3.432   0.201
  459    H    ASP  64           H        ASP  64  -5.232   2.059   4.782
  460    HA   ASP  64           HA       ASP  64  -4.011   0.127   6.583
  461   1HB   ASP  64          1HB       ASP  64  -6.918   1.036   6.336
  462   2HB   ASP  64          2HB       ASP  64  -6.326  -0.117   7.516
  463    H    PHE  65           H        PHE  65  -6.182  -1.744   6.654
  464    HA   PHE  65           HA       PHE  65  -5.745  -3.101   4.184
  465   1HB   PHE  65          1HB       PHE  65  -5.925  -4.167   6.477
  466   2HB   PHE  65          2HB       PHE  65  -7.571  -3.582   6.616
  467    HD1  PHE  65           HD2      PHE  65  -5.901  -5.180   3.695
  468    HD2  PHE  65           HD1      PHE  65  -8.866  -5.511   6.713
  469    HE1  PHE  65           HE2      PHE  65  -6.742  -7.295   2.638
  470    HE2  PHE  65           HE1      PHE  65  -9.707  -7.626   5.655
  471    HZ   PHE  65           HZ       PHE  65  -8.635  -8.493   3.630
  472    HA   PRO  66           HA       PRO  66 -10.358  -2.062   3.761
  473   1HB   PRO  66          1HB       PRO  66 -11.434  -0.089   5.316
  474   2HB   PRO  66          2HB       PRO  66 -11.560  -1.793   5.706
  475   1HG   PRO  66          1HG       PRO  66  -9.832   0.268   6.935
  476   2HG   PRO  66          2HG       PRO  66 -10.286  -1.303   7.566
  477   1HD   PRO  66          1HD       PRO  66  -7.768  -0.586   6.393
  478   2HD   PRO  66          2HD       PRO  66  -8.263  -2.183   6.918
  479    H    GLU  67           H        GLU  67  -7.874   0.186   4.103
  480    HA   GLU  67           HA       GLU  67  -9.220   2.060   2.374
  481   1HB   GLU  67          1HB       GLU  67  -6.360   2.289   3.361
  482   2HB   GLU  67          2HB       GLU  67  -7.446   3.577   2.880
  483   1HG   GLU  67          1HG       GLU  67  -8.346   1.829   5.155
  484   2HG   GLU  67          2HG       GLU  67  -7.011   2.917   5.478
  485    H    PHE  68           H        PHE  68  -6.777  -0.502   2.320
  486    HA   PHE  68           HA       PHE  68  -5.865   0.281  -0.314
  487   1HB   PHE  68          1HB       PHE  68  -4.085  -0.635   0.932
  488   2HB   PHE  68          2HB       PHE  68  -5.159  -1.598   1.927
  489    HD1  PHE  68           HD2      PHE  68  -6.195  -3.695   0.849
  490    HD2  PHE  68           HD1      PHE  68  -2.866  -1.636  -0.791
  491    HE1  PHE  68           HE2      PHE  68  -5.574  -5.743  -0.463
  492    HE2  PHE  68           HE1      PHE  68  -2.245  -3.684  -2.102
  493    HZ   PHE  68           HZ       PHE  68  -3.606  -5.713  -1.923
  494    H    LEU  69           H        LEU  69  -8.073  -2.011   1.263
  495    HA   LEU  69           HA       LEU  69  -8.275  -3.985  -0.596
  496   1HB   LEU  69          1HB       LEU  69 -10.172  -2.702   1.314
  497   2HB   LEU  69          2HB       LEU  69 -10.817  -3.829   0.137
  498    HG   LEU  69           HG       LEU  69  -8.486  -4.588   1.892
  499   1HD1  LEU  69          1HD1      LEU  69 -11.340  -4.284   2.661
  500   2HD1  LEU  69          2HD1      LEU  69 -10.510  -5.765   3.196
  501   3HD1  LEU  69          3HD1      LEU  69  -9.860  -4.170   3.643
  502   1HD2  LEU  69          2HD2      LEU  69  -9.045  -5.974  -0.099
  503   2HD2  LEU  69          3HD2      LEU  69  -9.179  -6.845   1.448
  504   3HD2  LEU  69          1HD2      LEU  69 -10.647  -6.282   0.614
  505    H    THR  70           H        THR  70  -9.510  -0.631  -0.746
  506    HA   THR  70           HA       THR  70 -11.099  -1.061  -3.061
  507    HB   THR  70           HB       THR  70 -11.647   0.803  -1.655
  508    HG1  THR  70           HG1      THR  70 -11.517   2.354  -3.304
  509   1HG2  THR  70          1HG2      THR  70  -8.660   1.371  -1.784
  510   2HG2  THR  70          2HG2      THR  70  -9.813   2.686  -1.455
  511   3HG2  THR  70          3HG2      THR  70  -9.711   1.294  -0.350
  512    H    MET  71           H        MET  71  -7.684  -0.152  -2.489
  513    HA   MET  71           HA       MET  71  -7.087   0.747  -4.989
  514   1HB   MET  71          1HB       MET  71  -5.718  -0.065  -2.609
  515   2HB   MET  71          2HB       MET  71  -4.962  -0.973  -3.904
  516   1HG   MET  71          1HG       MET  71  -5.342   1.733  -4.840
  517   2HG   MET  71          2HG       MET  71  -4.621   1.818  -3.245
  518   1HE   MET  71          3HE       MET  71  -2.624   1.877  -2.805
  519   2HE   MET  71          1HE       MET  71  -1.863   0.269  -2.864
  520   3HE   MET  71          2HE       MET  71  -1.205   1.602  -3.843
  521    H    MET  72           H        MET  72  -7.063  -2.657  -3.744
  522    HA   MET  72           HA       MET  72  -6.112  -3.768  -6.106
  523   1HB   MET  72          1HB       MET  72  -7.856  -4.893  -3.846
  524   2HB   MET  72          2HB       MET  72  -7.142  -5.900  -5.090
  525   1HG   MET  72          1HG       MET  72  -5.148  -4.105  -3.870
  526   2HG   MET  72          2HG       MET  72  -5.923  -5.122  -2.671
  527   1HE   MET  72          3HE       MET  72  -3.844  -4.579  -5.506
  528   2HE   MET  72          1HE       MET  72  -2.573  -5.455  -4.621
  529   3HE   MET  72          2HE       MET  72  -3.244  -6.137  -6.122
  530    H    ALA  73           H        ALA  73  -9.473  -3.291  -4.838
  531    HA   ALA  73           HA       ALA  73 -10.794  -4.597  -6.904
  532   1HB   ALA  73          2HB       ALA  73 -11.416  -2.667  -4.740
  533   2HB   ALA  73          3HB       ALA  73 -12.539  -2.635  -6.120
  534   3HB   ALA  73          1HB       ALA  73 -12.267  -4.152  -5.229
  535    H    ARG  74           H        ARG  74  -9.741  -1.155  -6.537
  536    HA   ARG  74           HA       ARG  74 -10.463  -0.815  -9.332
  537   1HB   ARG  74          1HB       ARG  74 -10.492   1.620  -8.860
  538   2HB   ARG  74          2HB       ARG  74 -11.549   0.774  -7.747
  539   1HG   ARG  74          1HG       ARG  74 -10.310   1.389  -5.935
  540   2HG   ARG  74          2HG       ARG  74  -8.804   0.926  -6.703
  541   1HD   ARG  74          1HD       ARG  74  -8.314   3.090  -7.204
  542   2HD   ARG  74          2HD       ARG  74  -9.856   3.313  -8.005
  543    HE   ARG  74           HE       ARG  74 -10.443   3.336  -5.257
  544   1HH1  ARG  74          2HH2      ARG  74  -8.442   5.221  -7.453
  545   2HH1  ARG  74          1HH2      ARG  74  -8.575   6.679  -6.528
  546   1HH2  ARG  74          2HH1      ARG  74 -10.620   5.260  -4.035
  547   2HH2  ARG  74          1HH1      ARG  74  -9.822   6.701  -4.571
  548    H    LYS  75           H        LYS  75  -8.242  -2.204  -9.350
  549    HA   LYS  75           HA       LYS  75  -5.860  -0.814  -8.787
  550   1HB   LYS  75          1HB       LYS  75  -4.998  -2.834  -9.134
  551   2HB   LYS  75          2HB       LYS  75  -6.610  -3.411  -9.507
  552   1HG   LYS  75          1HG       LYS  75  -6.191  -2.548 -11.922
  553   2HG   LYS  75          2HG       LYS  75  -4.510  -2.380 -11.458
  554   1HD   LYS  75          1HD       LYS  75  -4.400  -4.790 -10.871
  555   2HD   LYS  75          2HD       LYS  75  -6.103  -4.978 -11.239
  556   1HE   LYS  75          1HE       LYS  75  -4.386  -3.791 -13.402
  557   2HE   LYS  75          2HE       LYS  75  -4.140  -5.490 -13.050
  558   1HZ   LYS  75          1HZ       LYS  75  -6.809  -4.369 -13.509
  559   2HZ   LYS  75          2HZ       LYS  75  -5.884  -4.950 -14.723
  560   3HZ   LYS  75          3HZ       LYS  75  -6.369  -5.942 -13.519
   
  No H/Q in entry =         560
  Start of MODEL   21
    1    H    MET   0           H        MET   0 -28.230 -24.118  -6.251
    2    HA   MET   0           HA       MET   0 -30.536 -22.666  -6.172
    3   1HB   MET   0          1HB       MET   0 -29.118 -24.598  -4.552
    4   2HB   MET   0          2HB       MET   0 -29.669 -23.334  -3.471
    5   1HG   MET   0          1HG       MET   0 -31.696 -24.374  -3.485
    6   2HG   MET   0          2HG       MET   0 -31.901 -23.753  -5.111
    7   1HE   MET   0          1HE       MET   0 -32.226 -24.964  -6.995
    8   2HE   MET   0          2HE       MET   0 -30.510 -25.337  -7.286
    9   3HE   MET   0          3HE       MET   0 -31.729 -26.630  -7.376
   10    H    ALA   1           H        ALA   1 -27.344 -21.570  -5.543
   11    HA   ALA   1           HA       ALA   1 -28.018 -18.965  -5.116
   12   1HB   ALA   1          3HB       ALA   1 -28.056 -20.612  -2.607
   13   2HB   ALA   1          1HB       ALA   1 -27.343 -18.983  -2.533
   14   3HB   ALA   1          2HB       ALA   1 -29.032 -19.192  -3.052
   15    H    ASP   2           H        ASP   2 -26.081 -17.647  -4.418
   16    HA   ASP   2           HA       ASP   2 -23.651 -18.961  -3.984
   17   1HB   ASP   2          1HB       ASP   2 -24.474 -18.472  -6.777
   18   2HB   ASP   2          2HB       ASP   2 -22.955 -17.685  -6.395
   19    H    GLN   3           H        GLN   3 -22.412 -17.400  -2.909
   20    HA   GLN   3           HA       GLN   3 -22.176 -14.788  -3.831
   21   1HB   GLN   3          1HB       GLN   3 -24.587 -15.028  -2.600
   22   2HB   GLN   3          2HB       GLN   3 -23.596 -14.690  -1.194
   23   1HG   GLN   3          1HG       GLN   3 -22.793 -12.603  -2.151
   24   2HG   GLN   3          2HG       GLN   3 -23.478 -12.983  -3.719
   25   1HE2  GLN   3          2HE2      GLN   3 -26.382 -11.249  -3.050
   26   2HE2  GLN   3          1HE2      GLN   3 -25.097 -11.694  -4.123
   27    H    LEU   4           H        LEU   4 -20.212 -14.063  -3.085
   28    HA   LEU   4           HA       LEU   4 -18.923 -15.656  -1.057
   29   1HB   LEU   4          1HB       LEU   4 -16.975 -14.159  -1.646
   30   2HB   LEU   4          2HB       LEU   4 -17.569 -15.241  -2.889
   31    HG   LEU   4           HG       LEU   4 -18.794 -12.566  -2.973
   32   1HD1  LEU   4          2HD1      LEU   4 -15.854 -12.850  -2.848
   33   2HD1  LEU   4          3HD1      LEU   4 -16.480 -11.887  -4.208
   34   3HD1  LEU   4          1HD1      LEU   4 -16.895 -11.440  -2.535
   35   1HD2  LEU   4          2HD2      LEU   4 -17.643 -14.561  -4.899
   36   2HD2  LEU   4          3HD2      LEU   4 -19.282 -13.871  -4.813
   37   3HD2  LEU   4          1HD2      LEU   4 -17.931 -12.882  -5.415
   38    H    THR   5           H        THR   5 -17.418 -14.201   0.502
   39    HA   THR   5           HA       THR   5 -18.789 -11.842   1.444
   40    HB   THR   5           HB       THR   5 -19.702 -12.745   3.390
   41    HG1  THR   5           HG1      THR   5 -17.531 -14.677   2.999
   42   1HG2  THR   5          2HG2      THR   5 -19.396 -15.287   1.705
   43   2HG2  THR   5          3HG2      THR   5 -20.507 -15.090   3.082
   44   3HG2  THR   5          1HG2      THR   5 -20.753 -14.141   1.597
   45    H    GLU   6           H        GLU   6 -17.581 -11.739   4.003
   46    HA   GLU   6           HA       GLU   6 -15.255 -10.557   3.458
   47   1HB   GLU   6          1HB       GLU   6 -16.153 -12.061   5.939
   48   2HB   GLU   6          2HB       GLU   6 -14.630 -11.196   5.906
   49   1HG   GLU   6          1HG       GLU   6 -16.058  -9.168   5.020
   50   2HG   GLU   6          2HG       GLU   6 -17.436 -10.071   5.618
   51    H    GLU   7           H        GLU   7 -15.852 -14.055   3.816
   52    HA   GLU   7           HA       GLU   7 -13.495 -15.108   4.321
   53   1HB   GLU   7          1HB       GLU   7 -15.316 -15.964   2.027
   54   2HB   GLU   7          2HB       GLU   7 -14.096 -16.979   2.771
   55   1HG   GLU   7          1HG       GLU   7 -15.709 -15.882   4.891
   56   2HG   GLU   7          2HG       GLU   7 -16.803 -16.479   3.658
   57    H    GLN   8           H        GLN   8 -14.434 -13.569   1.203
   58    HA   GLN   8           HA       GLN   8 -12.121 -14.295  -0.158
   59   1HB   GLN   8          1HB       GLN   8 -14.505 -12.917  -0.728
   60   2HB   GLN   8          2HB       GLN   8 -13.257 -11.718  -1.000
   61   1HG   GLN   8          1HG       GLN   8 -13.749 -13.057  -3.056
   62   2HG   GLN   8          2HG       GLN   8 -12.076 -13.202  -2.555
   63   1HE2  GLN   8          2HE2      GLN   8 -14.624 -16.343  -1.603
   64   2HE2  GLN   8          1HE2      GLN   8 -15.107 -14.690  -1.420
   65    H    ILE   9           H        ILE   9 -13.025 -11.323   1.704
   66    HA   ILE   9           HA       ILE   9 -10.785  -9.825   1.188
   67    HB   ILE   9           HB       ILE   9 -13.038  -9.551   2.667
   68   1HG1  ILE   9          1HG1      ILE   9 -11.641  -7.391   3.508
   69   2HG1  ILE   9          2HG1      ILE   9 -10.585  -7.935   2.219
   70   1HG2  ILE   9          2HG2      ILE   9 -12.089 -10.804   4.558
   71   2HG2  ILE   9          3HG2      ILE   9 -10.761  -9.623   4.667
   72   3HG2  ILE   9          1HG2      ILE   9 -12.437  -9.111   4.981
   73   1HD1  ILE   9          2HD1      ILE   9 -13.514  -7.909   1.589
   74   2HD1  ILE   9          3HD1      ILE   9 -12.724  -6.325   1.782
   75   3HD1  ILE   9          1HD1      ILE   9 -12.125  -7.475   0.563
   76    H    ALA  10           H        ALA  10 -11.304 -12.363   3.711
   77    HA   ALA  10           HA       ALA  10  -9.049 -12.162   5.155
   78   1HB   ALA  10          3HB       ALA  10 -10.975 -14.207   4.467
   79   2HB   ALA  10          1HB       ALA  10  -9.352 -14.928   4.588
   80   3HB   ALA  10          2HB       ALA  10 -10.026 -14.017   5.961
   81    H    GLU  11           H        GLU  11  -9.367 -13.401   1.801
   82    HA   GLU  11           HA       GLU  11  -6.726 -14.349   1.691
   83   1HB   GLU  11          1HB       GLU  11  -8.700 -13.598  -0.509
   84   2HB   GLU  11          2HB       GLU  11  -7.167 -14.395  -0.805
   85   1HG   GLU  11          1HG       GLU  11  -7.879 -16.269   0.727
   86   2HG   GLU  11          2HG       GLU  11  -9.431 -15.483   0.935
   87    H    PHE  12           H        PHE  12  -8.363 -11.288   0.686
   88    HA   PHE  12           HA       PHE  12  -6.218 -10.126  -0.607
   89   1HB   PHE  12          1HB       PHE  12  -8.633  -9.197   1.013
   90   2HB   PHE  12          2HB       PHE  12  -7.508  -7.991   0.422
   91    HD1  PHE  12           HD2      PHE  12  -9.782 -10.705  -0.665
   92    HD2  PHE  12           HD1      PHE  12  -7.583  -7.264  -1.820
   93    HE1  PHE  12           HE2      PHE  12 -10.955 -10.700  -2.884
   94    HE2  PHE  12           HE1      PHE  12  -8.756  -7.259  -4.039
   95    HZ   PHE  12           HZ       PHE  12 -10.428  -8.977  -4.545
   96    H    LYS  13           H        LYS  13  -6.949 -10.465   2.871
   97    HA   LYS  13           HA       LYS  13  -5.500  -8.536   4.031
   98   1HB   LYS  13          1HB       LYS  13  -5.772 -11.458   4.749
   99   2HB   LYS  13          2HB       LYS  13  -4.934 -10.322   5.786
  100   1HG   LYS  13          1HG       LYS  13  -7.160  -8.861   5.410
  101   2HG   LYS  13          2HG       LYS  13  -7.861 -10.429   5.060
  102   1HD   LYS  13          1HD       LYS  13  -6.158 -10.128   7.541
  103   2HD   LYS  13          2HD       LYS  13  -7.788  -9.484   7.560
  104   1HE   LYS  13          1HE       LYS  13  -7.509 -12.258   6.465
  105   2HE   LYS  13          2HE       LYS  13  -7.176 -12.083   8.177
  106   1HZ   LYS  13          1HZ       LYS  13  -9.558 -10.821   7.091
  107   2HZ   LYS  13          2HZ       LYS  13  -9.573 -12.435   7.341
  108   3HZ   LYS  13          3HZ       LYS  13  -9.296 -11.418   8.588
  109    H    GLU  14           H        GLU  14  -4.105 -11.698   2.902
  110    HA   GLU  14           HA       GLU  14  -1.518 -11.126   3.500
  111   1HB   GLU  14          1HB       GLU  14  -2.671 -12.757   1.198
  112   2HB   GLU  14          2HB       GLU  14  -0.973 -12.771   1.628
  113   1HG   GLU  14          1HG       GLU  14  -2.059 -13.240   4.092
  114   2HG   GLU  14          2HG       GLU  14  -3.312 -13.942   3.089
  115    H    ALA  15           H        ALA  15  -3.462 -10.167   0.636
  116    HA   ALA  15           HA       ALA  15  -1.458  -9.267  -1.011
  117   1HB   ALA  15          2HB       ALA  15  -4.122  -9.403  -1.175
  118   2HB   ALA  15          3HB       ALA  15  -3.989  -7.678  -0.758
  119   3HB   ALA  15          1HB       ALA  15  -3.179  -8.307  -2.212
  120    H    PHE  16           H        PHE  16  -3.257  -7.436   1.561
  121    HA   PHE  16           HA       PHE  16  -1.998  -5.032   1.269
  122   1HB   PHE  16          1HB       PHE  16  -3.935  -5.737   2.802
  123   2HB   PHE  16          2HB       PHE  16  -2.770  -6.522   3.850
  124    HD1  PHE  16           HD2      PHE  16  -3.566  -3.190   2.385
  125    HD2  PHE  16           HD1      PHE  16  -1.826  -5.333   5.607
  126    HE1  PHE  16           HE2      PHE  16  -3.248  -1.041   3.641
  127    HE2  PHE  16           HE1      PHE  16  -1.507  -3.184   6.864
  128    HZ   PHE  16           HZ       PHE  16  -2.222  -1.064   5.866
  129    H    SER  17           H        SER  17  -0.850  -7.999   2.933
  130    HA   SER  17           HA       SER  17   1.207  -6.889   4.348
  131   1HB   SER  17          1HB       SER  17   1.224  -9.606   2.960
  132   2HB   SER  17          2HB       SER  17   2.190  -9.149   4.349
  133    HG   SER  17           HG       SER  17  -0.683  -9.445   4.219
  134    H    LEU  18           H        LEU  18   1.226  -8.284   0.989
  135    HA   LEU  18           HA       LEU  18   3.763  -8.115   0.263
  136   1HB   LEU  18          1HB       LEU  18   1.222  -7.947  -1.044
  137   2HB   LEU  18          2HB       LEU  18   2.332  -6.842  -1.828
  138    HG   LEU  18           HG       LEU  18   3.875  -9.109  -1.585
  139   1HD1  LEU  18          2HD1      LEU  18   1.508 -10.126  -0.875
  140   2HD1  LEU  18          3HD1      LEU  18   1.342 -10.257  -2.643
  141   3HD1  LEU  18          1HD1      LEU  18   2.709 -11.042  -1.816
  142   1HD2  LEU  18          2HD2      LEU  18   2.203  -7.974  -3.813
  143   2HD2  LEU  18          3HD2      LEU  18   3.967  -7.924  -3.578
  144   3HD2  LEU  18          1HD2      LEU  18   3.176  -9.445  -4.057
  145    H    PHE  19           H        PHE  19   1.539  -5.262   0.459
  146    HA   PHE  19           HA       PHE  19   3.674  -3.468  -0.173
  147   1HB   PHE  19          1HB       PHE  19   0.793  -3.252   0.873
  148   2HB   PHE  19          2HB       PHE  19   1.767  -1.825   0.578
  149    HD1  PHE  19           HD2      PHE  19   2.372  -1.181  -1.707
  150    HD2  PHE  19           HD1      PHE  19  -0.103  -4.547  -0.960
  151    HE1  PHE  19           HE2      PHE  19   1.662  -1.194  -4.115
  152    HE2  PHE  19           HE1      PHE  19  -0.813  -4.559  -3.368
  153    HZ   PHE  19           HZ       PHE  19   0.078  -2.882  -4.916
  154    H    ASP  20           H        ASP  20   1.743  -4.302   2.784
  155    HA   ASP  20           HA       ASP  20   3.307  -2.541   4.364
  156   1HB   ASP  20          1HB       ASP  20   0.977  -2.972   4.963
  157   2HB   ASP  20          2HB       ASP  20   1.258  -4.701   5.025
  158    H    LYS  21           H        LYS  21   5.499  -3.436   3.967
  159    HA   LYS  21           HA       LYS  21   6.135  -6.125   4.358
  160   1HB   LYS  21          1HB       LYS  21   7.460  -4.268   3.181
  161   2HB   LYS  21          2HB       LYS  21   8.023  -3.801   4.773
  162   1HG   LYS  21          1HG       LYS  21   9.670  -5.346   4.427
  163   2HG   LYS  21          2HG       LYS  21   8.449  -6.524   4.867
  164   1HD   LYS  21          1HD       LYS  21   8.440  -5.641   2.003
  165   2HD   LYS  21          2HD       LYS  21   9.827  -6.588   2.504
  166   1HE   LYS  21          1HE       LYS  21   8.585  -8.479   2.368
  167   2HE   LYS  21          2HE       LYS  21   7.524  -7.875   3.626
  168   1HZ   LYS  21          2HZ       LYS  21   7.100  -6.740   1.023
  169   2HZ   LYS  21          3HZ       LYS  21   6.747  -8.330   1.148
  170   3HZ   LYS  21          1HZ       LYS  21   6.011  -7.251   2.128
  171    H    ASP  22           H        ASP  22   5.919  -3.325   6.592
  172    HA   ASP  22           HA       ASP  22   7.124  -4.622   8.737
  173   1HB   ASP  22          1HB       ASP  22   4.950  -2.487   8.880
  174   2HB   ASP  22          2HB       ASP  22   6.170  -2.820  10.093
  175    H    GLY  23           H        GLY  23   3.967  -4.819   7.209
  176   1HA   GLY  23          1HA       GLY  23   2.099  -5.981   7.663
  177   2HA   GLY  23          2HA       GLY  23   3.104  -7.042   8.630
  178    H    ASP  24           H        ASP  24   3.191  -3.686   9.586
  179    HA   ASP  24           HA       ASP  24   2.279  -4.244  12.117
  180   1HB   ASP  24          1HB       ASP  24   2.098  -1.730  12.334
  181   2HB   ASP  24          2HB       ASP  24   3.635  -2.282  11.699
  182    H    GLY  25           H        GLY  25   0.654  -3.066   9.133
  183   1HA   GLY  25          1HA       GLY  25  -1.733  -3.916   9.110
  184   2HA   GLY  25          2HA       GLY  25  -1.924  -2.971  10.573
  185    H    THR  26           H        THR  26   0.345  -1.216   8.952
  186    HA   THR  26           HA       THR  26  -1.618   0.196   7.281
  187    HB   THR  26           HB       THR  26  -0.926   2.310   8.276
  188    HG1  THR  26           HG1      THR  26   1.292   1.934   8.650
  189   1HG2  THR  26          1HG2      THR  26  -2.404   0.650   9.750
  190   2HG2  THR  26          2HG2      THR  26  -0.923   0.525  10.729
  191   3HG2  THR  26          3HG2      THR  26  -1.707   2.106  10.500
  192    H    ILE  27           H        ILE  27  -0.792   1.264   5.450
  193    HA   ILE  27           HA       ILE  27   1.957   0.438   4.820
  194    HB   ILE  27           HB       ILE  27  -0.460   0.738   3.037
  195   1HG1  ILE  27          1HG1      ILE  27   1.237  -1.701   3.636
  196   2HG1  ILE  27          2HG1      ILE  27  -0.279  -1.339   4.436
  197   1HG2  ILE  27          3HG2      ILE  27   1.815   1.566   2.121
  198   2HG2  ILE  27          1HG2      ILE  27   2.249  -0.160   2.086
  199   3HG2  ILE  27          2HG2      ILE  27   0.854   0.426   1.149
  200   1HD1  ILE  27          3HD1      ILE  27  -0.024  -1.532   1.404
  201   2HD1  ILE  27          1HD1      ILE  27  -0.459  -2.914   2.438
  202   3HD1  ILE  27          2HD1      ILE  27  -1.522  -1.488   2.365
  203    H    THR  28           H        THR  28   3.247   2.174   5.214
  204    HA   THR  28           HA       THR  28   2.266   4.842   4.926
  205    HB   THR  28           HB       THR  28   3.949   4.131   6.638
  206    HG1  THR  28           HG1      THR  28   5.412   5.935   6.025
  207   1HG2  THR  28          2HG2      THR  28   5.618   3.604   4.132
  208   2HG2  THR  28          3HG2      THR  28   6.360   3.940   5.715
  209   3HG2  THR  28          1HG2      THR  28   5.334   2.501   5.500
  210    H    THR  29           H        THR  29   4.796   5.909   3.784
  211    HA   THR  29           HA       THR  29   3.950   5.724   1.020
  212    HB   THR  29           HB       THR  29   5.879   7.531   0.924
  213    HG1  THR  29           HG1      THR  29   6.706   7.947   2.954
  214   1HG2  THR  29          3HG2      THR  29   3.408   7.952   2.688
  215   2HG2  THR  29          1HG2      THR  29   4.424   9.258   2.033
  216   3HG2  THR  29          2HG2      THR  29   3.489   8.220   0.930
  217    H    LYS  30           H        LYS  30   6.993   5.167   2.910
  218    HA   LYS  30           HA       LYS  30   8.501   4.266   0.785
  219   1HB   LYS  30          1HB       LYS  30   9.046   4.794   3.321
  220   2HB   LYS  30          2HB       LYS  30   8.836   3.066   3.512
  221   1HG   LYS  30          1HG       LYS  30  10.594   2.562   1.953
  222   2HG   LYS  30          2HG       LYS  30  10.604   4.191   1.307
  223   1HD   LYS  30          1HD       LYS  30  11.670   5.092   3.240
  224   2HD   LYS  30          2HD       LYS  30  11.232   3.720   4.239
  225   1HE   LYS  30          1HE       LYS  30  12.722   2.306   2.615
  226   2HE   LYS  30          2HE       LYS  30  13.351   3.844   2.060
  227   1HZ   LYS  30          3HZ       LYS  30  13.269   3.638   4.895
  228   2HZ   LYS  30          1HZ       LYS  30  14.218   2.499   4.211
  229   3HZ   LYS  30          2HZ       LYS  30  14.503   4.080   3.920
  230    H    GLU  31           H        GLU  31   6.602   2.288   3.174
  231    HA   GLU  31           HA       GLU  31   7.071  -0.125   2.019
  232   1HB   GLU  31          1HB       GLU  31   4.580   0.886   3.456
  233   2HB   GLU  31          2HB       GLU  31   4.861  -0.803   3.085
  234   1HG   GLU  31          1HG       GLU  31   7.072  -0.632   4.353
  235   2HG   GLU  31          2HG       GLU  31   6.606   0.985   4.840
  236    H    LEU  32           H        LEU  32   5.186   2.549   0.807
  237    HA   LEU  32           HA       LEU  32   3.630   0.870  -0.965
  238   1HB   LEU  32          1HB       LEU  32   2.891   3.028   0.270
  239   2HB   LEU  32          2HB       LEU  32   3.737   3.869  -1.013
  240    HG   LEU  32           HG       LEU  32   2.207   2.186  -2.494
  241   1HD1  LEU  32          3HD1      LEU  32   0.745   2.634   0.103
  242   2HD1  LEU  32          1HD1      LEU  32  -0.121   2.387  -1.432
  243   3HD1  LEU  32          2HD1      LEU  32   0.973   1.127  -0.814
  244   1HD2  LEU  32          2HD2      LEU  32   2.113   4.990  -1.680
  245   2HD2  LEU  32          3HD2      LEU  32   1.895   4.247  -3.283
  246   3HD2  LEU  32          1HD2      LEU  32   0.521   4.350  -2.156
  247    H    GLY  33           H        GLY  33   6.600   2.790  -0.908
  248   1HA   GLY  33          1HA       GLY  33   6.830   2.772  -3.813
  249   2HA   GLY  33          2HA       GLY  33   7.920   3.508  -2.655
  250    H    THR  34           H        THR  34   7.286   0.516  -1.338
  251    HA   THR  34           HA       THR  34   9.815  -0.519  -2.284
  252    HB   THR  34           HB       THR  34   7.934  -0.888  -0.002
  253    HG1  THR  34           HG1      THR  34  10.783  -1.231  -0.626
  254   1HG2  THR  34          2HG2      THR  34   9.375  -3.206  -1.336
  255   2HG2  THR  34          3HG2      THR  34   9.286  -3.130   0.440
  256   3HG2  THR  34          1HG2      THR  34   7.791  -3.199  -0.524
  257    H    VAL  35           H        VAL  35   6.512  -1.992  -1.958
  258    HA   VAL  35           HA       VAL  35   6.932  -4.181  -3.480
  259    HB   VAL  35           HB       VAL  35   4.593  -2.435  -2.895
  260   1HG1  VAL  35          2HG1      VAL  35   4.550  -4.662  -4.957
  261   2HG1  VAL  35          3HG1      VAL  35   3.100  -3.980  -4.182
  262   3HG1  VAL  35          1HG1      VAL  35   4.131  -2.950  -5.203
  263   1HG2  VAL  35          3HG2      VAL  35   5.239  -5.368  -2.450
  264   2HG2  VAL  35          1HG2      VAL  35   5.280  -4.062  -1.242
  265   3HG2  VAL  35          2HG2      VAL  35   3.728  -4.573  -1.947
  266    H    MET  36           H        MET  36   6.736  -0.812  -4.533
  267    HA   MET  36           HA       MET  36   6.162  -1.339  -7.211
  268   1HB   MET  36          1HB       MET  36   7.637   0.965  -5.821
  269   2HB   MET  36          2HB       MET  36   7.152   1.018  -7.504
  270   1HG   MET  36          1HG       MET  36   4.878   0.203  -5.874
  271   2HG   MET  36          2HG       MET  36   5.568   1.672  -5.213
  272   1HE   MET  36          2HE       MET  36   2.843   0.902  -6.542
  273   2HE   MET  36          3HE       MET  36   2.442   1.868  -7.983
  274   3HE   MET  36          1HE       MET  36   3.264   0.299  -8.163
  275    H    ARG  37           H        ARG  37   9.254  -0.958  -5.382
  276    HA   ARG  37           HA       ARG  37  10.964  -0.898  -7.478
  277   1HB   ARG  37          1HB       ARG  37  11.152  -1.989  -4.659
  278   2HB   ARG  37          2HB       ARG  37  12.500  -2.254  -5.747
  279   1HG   ARG  37          1HG       ARG  37  13.112  -0.033  -5.758
  280   2HG   ARG  37          2HG       ARG  37  11.455   0.536  -5.751
  281   1HD   ARG  37          1HD       ARG  37  11.725  -0.677  -3.230
  282   2HD   ARG  37          2HD       ARG  37  13.285   0.082  -3.478
  283    HE   ARG  37           HE       ARG  37  10.702   1.449  -3.159
  284   1HH1  ARG  37          1HH2      ARG  37  14.059   3.469  -4.120
  285   2HH1  ARG  37          2HH2      ARG  37  14.032   1.743  -4.256
  286   1HH2  ARG  37          1HH1      ARG  37  12.172   4.605  -3.390
  287   2HH2  ARG  37          2HH1      ARG  37  10.736   3.727  -2.980
  288    H    SER  38           H        SER  38   8.976  -3.546  -6.303
  289    HA   SER  38           HA       SER  38  10.565  -5.618  -7.361
  290   1HB   SER  38          1HB       SER  38   7.573  -5.782  -6.867
  291   2HB   SER  38          2HB       SER  38   8.758  -7.067  -6.750
  292    HG   SER  38           HG       SER  38   9.439  -6.348  -4.788
  293    H    LEU  39           H        LEU  39   8.318  -3.287  -8.675
  294    HA   LEU  39           HA       LEU  39   7.996  -4.908 -11.095
  295   1HB   LEU  39          1HB       LEU  39   6.209  -3.329  -9.575
  296   2HB   LEU  39          2HB       LEU  39   6.461  -2.482 -11.088
  297    HG   LEU  39           HG       LEU  39   6.067  -5.108 -11.901
  298   1HD1  LEU  39          2HD1      LEU  39   5.393  -5.711  -9.603
  299   2HD1  LEU  39          3HD1      LEU  39   4.086  -4.505  -9.688
  300   3HD1  LEU  39          1HD1      LEU  39   4.075  -5.908 -10.783
  301   1HD2  LEU  39          1HD2      LEU  39   5.205  -2.899 -12.825
  302   2HD2  LEU  39          2HD2      LEU  39   4.110  -4.298 -12.933
  303   3HD2  LEU  39          3HD2      LEU  39   3.856  -3.063 -11.676
  304    H    GLY  40           H        GLY  40  10.497  -3.499 -10.207
  305   1HA   GLY  40          1HA       GLY  40  12.124  -2.279 -11.162
  306   2HA   GLY  40          2HA       GLY  40  11.255  -2.423 -12.677
  307    H    GLN  41           H        GLN  41   9.593  -1.005  -9.894
  308    HA   GLN  41           HA       GLN  41   9.756   1.554 -11.270
  309   1HB   GLN  41          1HB       GLN  41   7.655   0.252  -9.528
  310   2HB   GLN  41          2HB       GLN  41   7.700   1.999  -9.655
  311   1HG   GLN  41          1HG       GLN  41   7.300   1.965 -12.012
  312   2HG   GLN  41          2HG       GLN  41   7.755   0.279 -12.158
  313   1HE2  GLN  41          2HE2      GLN  41   4.059   1.352 -10.604
  314   2HE2  GLN  41          1HE2      GLN  41   5.431   2.406 -10.511
  315    H    ASN  42           H        ASN  42   9.118   3.386  -9.354
  316    HA   ASN  42           HA       ASN  42  10.096   3.081  -6.854
  317   1HB   ASN  42          1HB       ASN  42  12.329   2.589  -7.662
  318   2HB   ASN  42          2HB       ASN  42  12.259   3.867  -8.860
  319   1HD2  ASN  42          2HD2      ASN  42  14.373   5.400  -6.421
  320   2HD2  ASN  42          1HD2      ASN  42  14.358   4.313  -7.770
  321    HA   PRO  43           HA       PRO  43   8.387   7.108  -8.230
  322   1HB   PRO  43          1HB       PRO  43   6.065   7.056  -6.790
  323   2HB   PRO  43          2HB       PRO  43   6.170   6.527  -8.457
  324   1HG   PRO  43          1HG       PRO  43   5.956   4.892  -6.004
  325   2HG   PRO  43          2HG       PRO  43   5.639   4.428  -7.663
  326   1HD   PRO  43          1HD       PRO  43   7.960   3.771  -6.111
  327   2HD   PRO  43          2HD       PRO  43   7.694   3.406  -7.804
  328    H    THR  44           H        THR  44   8.593   9.123  -7.299
  329    HA   THR  44           HA       THR  44  10.098   9.136  -4.927
  330    HB   THR  44           HB       THR  44   9.771  11.628  -5.172
  331    HG1  THR  44           HG1      THR  44   8.338  12.162  -7.047
  332   1HG2  THR  44          3HG2      THR  44  10.185  10.113  -7.803
  333   2HG2  THR  44          1HG2      THR  44  10.529  11.844  -7.572
  334   3HG2  THR  44          2HG2      THR  44  11.464  10.624  -6.675
  335    H    GLU  45           H        GLU  45   9.477  10.508  -2.958
  336    HA   GLU  45           HA       GLU  45   7.361   9.200  -1.733
  337   1HB   GLU  45          1HB       GLU  45   9.319  11.313  -1.042
  338   2HB   GLU  45          2HB       GLU  45   7.809  11.447  -0.163
  339   1HG   GLU  45          1HG       GLU  45   8.016   8.985   0.446
  340   2HG   GLU  45          2HG       GLU  45   9.595   8.974  -0.313
  341    H    ALA  46           H        ALA  46   7.500  12.032  -3.776
  342    HA   ALA  46           HA       ALA  46   5.164  13.299  -2.771
  343   1HB   ALA  46          1HB       ALA  46   7.229  13.776  -4.706
  344   2HB   ALA  46          2HB       ALA  46   5.654  13.954  -5.516
  345   3HB   ALA  46          3HB       ALA  46   6.024  14.918  -4.066
  346    H    GLU  47           H        GLU  47   5.896  11.112  -5.569
  347    HA   GLU  47           HA       GLU  47   3.367  11.092  -6.617
  348   1HB   GLU  47          1HB       GLU  47   5.215  10.156  -7.855
  349   2HB   GLU  47          2HB       GLU  47   5.566   8.990  -6.595
  350   1HG   GLU  47          1HG       GLU  47   4.046   7.512  -7.414
  351   2HG   GLU  47          2HG       GLU  47   2.785   8.729  -7.460
  352    H    LEU  48           H        LEU  48   4.861   8.714  -4.300
  353    HA   LEU  48           HA       LEU  48   2.695   7.100  -3.936
  354   1HB   LEU  48          1HB       LEU  48   4.733   7.971  -1.882
  355   2HB   LEU  48          2HB       LEU  48   3.678   6.579  -1.741
  356    HG   LEU  48           HG       LEU  48   5.463   6.764  -4.138
  357   1HD1  LEU  48          2HD1      LEU  48   6.451   6.864  -1.437
  358   2HD1  LEU  48          3HD1      LEU  48   6.903   5.318  -2.195
  359   3HD1  LEU  48          1HD1      LEU  48   7.348   6.856  -2.974
  360   1HD2  LEU  48          2HD2      LEU  48   3.848   4.757  -2.777
  361   2HD2  LEU  48          3HD2      LEU  48   4.497   4.780  -4.434
  362   3HD2  LEU  48          1HD2      LEU  48   5.508   4.196  -3.091
  363    H    GLN  49           H        GLN  49   3.544  10.041  -1.973
  364    HA   GLN  49           HA       GLN  49   1.503  10.075  -0.280
  365   1HB   GLN  49          1HB       GLN  49   3.422  11.886  -1.074
  366   2HB   GLN  49          2HB       GLN  49   1.962  12.718  -1.570
  367   1HG   GLN  49          1HG       GLN  49   2.239  13.438   0.664
  368   2HG   GLN  49          2HG       GLN  49   1.052  12.158   0.814
  369   1HE2  GLN  49          2HE2      GLN  49   2.929  10.601   3.261
  370   2HE2  GLN  49          1HE2      GLN  49   1.421  11.239   2.695
  371    H    ASP  50           H        ASP  50   1.372  10.899  -3.768
  372    HA   ASP  50           HA       ASP  50  -1.256  11.896  -3.634
  373   1HB   ASP  50          1HB       ASP  50   0.825  11.671  -5.566
  374   2HB   ASP  50          2HB       ASP  50  -0.527  10.785  -6.241
  375    H    MET  51           H        MET  51   0.335   8.760  -4.487
  376    HA   MET  51           HA       MET  51  -1.960   7.487  -5.392
  377   1HB   MET  51          1HB       MET  51   0.534   6.318  -4.034
  378   2HB   MET  51          2HB       MET  51  -0.587   5.407  -5.026
  379   1HG   MET  51          1HG       MET  51   0.041   6.587  -7.026
  380   2HG   MET  51          2HG       MET  51   0.823   7.871  -6.125
  381   1HE   MET  51          3HE       MET  51   1.530   6.065  -8.492
  382   2HE   MET  51          1HE       MET  51   3.174   5.408  -8.310
  383   3HE   MET  51          2HE       MET  51   1.762   4.375  -7.981
  384    H    ILE  52           H        ILE  52  -0.444   7.735  -2.129
  385    HA   ILE  52           HA       ILE  52  -2.080   5.873  -0.859
  386    HB   ILE  52           HB       ILE  52  -0.530   8.270   0.094
  387   1HG1  ILE  52          1HG1      ILE  52  -0.056   5.311  -0.077
  388   2HG1  ILE  52          2HG1      ILE  52   0.984   6.637  -0.558
  389   1HG2  ILE  52          3HG2      ILE  52  -2.664   7.010   1.483
  390   2HG2  ILE  52          1HG2      ILE  52  -1.141   6.501   2.252
  391   3HG2  ILE  52          2HG2      ILE  52  -1.515   8.233   2.078
  392   1HD1  ILE  52          1HD1      ILE  52   0.858   7.201   2.080
  393   2HD1  ILE  52          2HD1      ILE  52   0.549   5.449   2.163
  394   3HD1  ILE  52          3HD1      ILE  52   2.046   6.055   1.414
  395    H    ASN  53           H        ASN  53  -2.354   9.502  -0.872
  396    HA   ASN  53           HA       ASN  53  -4.608   9.815   0.451
  397   1HB   ASN  53          1HB       ASN  53  -3.523  11.157  -2.032
  398   2HB   ASN  53          2HB       ASN  53  -5.135  11.606  -1.513
  399   1HD2  ASN  53          2HD2      ASN  53  -2.350  13.713   0.032
  400   2HD2  ASN  53          1HD2      ASN  53  -2.633  13.125  -1.573
  401    H    GLU  54           H        GLU  54  -4.365   9.063  -3.107
  402    HA   GLU  54           HA       GLU  54  -6.941   9.040  -3.795
  403   1HB   GLU  54          1HB       GLU  54  -4.623   7.281  -4.620
  404   2HB   GLU  54          2HB       GLU  54  -6.208   6.996  -5.311
  405   1HG   GLU  54          1HG       GLU  54  -6.133   9.662  -5.690
  406   2HG   GLU  54          2HG       GLU  54  -4.403   9.392  -5.620
  407    H    VAL  55           H        VAL  55  -5.153   6.359  -2.149
  408    HA   VAL  55           HA       VAL  55  -7.731   5.022  -1.749
  409    HB   VAL  55           HB       VAL  55  -6.060   3.152  -1.007
  410   1HG1  VAL  55          3HG1      VAL  55  -7.508   3.658  -3.282
  411   2HG1  VAL  55          1HG1      VAL  55  -5.866   3.446  -3.934
  412   3HG1  VAL  55          2HG1      VAL  55  -6.607   2.158  -2.953
  413   1HG2  VAL  55          2HG2      VAL  55  -4.133   4.906  -1.275
  414   2HG2  VAL  55          3HG2      VAL  55  -3.881   3.223  -1.798
  415   3HG2  VAL  55          1HG2      VAL  55  -4.244   4.484  -3.000
  416    H    ASP  56           H        ASP  56  -7.037   7.436  -0.289
  417    HA   ASP  56           HA       ASP  56  -7.242   6.299   2.330
  418   1HB   ASP  56          1HB       ASP  56  -4.946   6.568   2.577
  419   2HB   ASP  56          2HB       ASP  56  -4.854   7.825   1.359
  420    H    ALA  57           H        ALA  57  -9.367   7.272   2.345
  421    HA   ALA  57           HA       ALA  57  -9.562  10.106   1.756
  422   1HB   ALA  57          3HB       ALA  57 -11.260   7.821   1.576
  423   2HB   ALA  57          1HB       ALA  57 -11.996   8.933   2.755
  424   3HB   ALA  57          2HB       ALA  57 -11.624   9.499   1.109
  425    H    ASP  58           H        ASP  58  -8.536   8.264   4.337
  426    HA   ASP  58           HA       ASP  58  -9.968   9.707   6.351
  427   1HB   ASP  58          1HB       ASP  58  -8.539   8.395   7.922
  428   2HB   ASP  58          2HB       ASP  58  -9.364   7.368   6.766
  429    H    GLY  59           H        GLY  59  -6.916   9.791   4.551
  430   1HA   GLY  59          1HA       GLY  59  -5.086  11.103   4.659
  431   2HA   GLY  59          2HA       GLY  59  -6.215  12.368   5.102
  432    H    ASN  60           H        ASN  60  -5.402   9.388   6.980
  433    HA   ASN  60           HA       ASN  60  -4.643  11.157   9.146
  434   1HB   ASN  60          1HB       ASN  60  -5.116   9.308  10.627
  435   2HB   ASN  60          2HB       ASN  60  -6.405   9.298   9.440
  436   1HD2  ASN  60          1HD2      ASN  60  -5.894   7.070  10.868
  437   2HD2  ASN  60          2HD2      ASN  60  -5.196   5.825   9.887
  438    H    GLY  61           H        GLY  61  -3.305   9.353   6.603
  439   1HA   GLY  61          1HA       GLY  61  -0.947   9.359   6.302
  440   2HA   GLY  61          2HA       GLY  61  -0.731   9.101   8.022
  441    H    THR  62           H        THR  62   0.112   7.530   5.500
  442    HA   THR  62           HA       THR  62   0.379   5.405   4.904
  443    HB   THR  62           HB       THR  62   0.769   3.944   6.688
  444    HG1  THR  62           HG1      THR  62  -1.538   5.205   7.987
  445   1HG2  THR  62          1HG2      THR  62   1.418   6.441   7.399
  446   2HG2  THR  62          2HG2      THR  62   0.061   6.242   8.533
  447   3HG2  THR  62          3HG2      THR  62   1.452   5.134   8.607
  448    H    ILE  63           H        ILE  63  -0.824   3.142   4.755
  449    HA   ILE  63           HA       ILE  63  -3.654   3.771   4.277
  450    HB   ILE  63           HB       ILE  63  -1.753   2.165   2.569
  451   1HG1  ILE  63          1HG1      ILE  63  -2.149   4.882   2.603
  452   2HG1  ILE  63          2HG1      ILE  63  -1.550   3.952   1.244
  453   1HG2  ILE  63          2HG2      ILE  63  -3.949   1.072   2.709
  454   2HG2  ILE  63          3HG2      ILE  63  -4.732   2.590   2.208
  455   3HG2  ILE  63          1HG2      ILE  63  -3.636   1.741   1.090
  456   1HD1  ILE  63          1HD1      ILE  63  -3.897   3.656   0.419
  457   2HD1  ILE  63          2HD1      ILE  63  -4.474   4.651   1.777
  458   3HD1  ILE  63          3HD1      ILE  63  -3.430   5.370   0.528
  459    H    ASP  64           H        ASP  64  -5.159   2.269   4.980
  460    HA   ASP  64           HA       ASP  64  -4.011   0.175   6.615
  461   1HB   ASP  64          1HB       ASP  64  -6.869   1.242   6.428
  462   2HB   ASP  64          2HB       ASP  64  -6.333   0.023   7.567
  463    H    PHE  65           H        PHE  65  -6.111  -1.683   6.704
  464    HA   PHE  65           HA       PHE  65  -5.817  -2.995   4.217
  465   1HB   PHE  65          1HB       PHE  65  -6.068  -4.037   6.530
  466   2HB   PHE  65          2HB       PHE  65  -7.703  -3.413   6.615
  467    HD1  PHE  65           HD1      PHE  65  -5.799  -5.241   3.965
  468    HD2  PHE  65           HD2      PHE  65  -9.227  -5.127   6.463
  469    HE1  PHE  65           HE1      PHE  65  -6.655  -7.338   2.884
  470    HE2  PHE  65           HE2      PHE  65 -10.084  -7.224   5.382
  471    HZ   PHE  65           HZ       PHE  65  -8.788  -8.305   3.605
  472    HA   PRO  66           HA       PRO  66 -10.371  -1.723   3.789
  473   1HB   PRO  66          1HB       PRO  66 -11.351   0.293   5.353
  474   2HB   PRO  66          2HB       PRO  66 -11.563  -1.405   5.733
  475   1HG   PRO  66          1HG       PRO  66  -9.737   0.559   6.978
  476   2HG   PRO  66          2HG       PRO  66 -10.271  -0.991   7.598
  477   1HD   PRO  66          1HD       PRO  66  -7.718  -0.395   6.436
  478   2HD   PRO  66          2HD       PRO  66  -8.294  -1.968   6.950
  479    H    GLU  67           H        GLU  67  -7.778   0.393   4.149
  480    HA   GLU  67           HA       GLU  67  -9.027   2.303   2.372
  481   1HB   GLU  67          1HB       GLU  67  -6.235   2.478   3.563
  482   2HB   GLU  67          2HB       GLU  67  -7.213   3.786   2.927
  483   1HG   GLU  67          1HG       GLU  67  -8.725   3.723   4.783
  484   2HG   GLU  67          2HG       GLU  67  -8.200   2.125   5.273
  485    H    PHE  68           H        PHE  68  -6.810  -0.403   2.403
  486    HA   PHE  68           HA       PHE  68  -5.648   0.379  -0.144
  487   1HB   PHE  68          1HB       PHE  68  -4.005  -0.615   1.238
  488   2HB   PHE  68          2HB       PHE  68  -5.185  -1.577   2.106
  489    HD1  PHE  68           HD1      PHE  68  -6.016  -3.702   1.111
  490    HD2  PHE  68           HD2      PHE  68  -2.857  -1.490  -0.661
  491    HE1  PHE  68           HE1      PHE  68  -5.351  -5.720  -0.224
  492    HE2  PHE  68           HE2      PHE  68  -2.192  -3.509  -1.996
  493    HZ   PHE  68           HZ       PHE  68  -3.447  -5.600  -1.762
  494    H    LEU  69           H        LEU  69  -7.995  -1.885   1.303
  495    HA   LEU  69           HA       LEU  69  -8.192  -3.809  -0.592
  496   1HB   LEU  69          1HB       LEU  69 -10.178  -2.452   1.186
  497   2HB   LEU  69          2HB       LEU  69 -10.745  -3.612   0.002
  498    HG   LEU  69           HG       LEU  69  -8.524  -4.362   1.885
  499   1HD1  LEU  69          2HD1      LEU  69 -11.203  -3.626   2.682
  500   2HD1  LEU  69          3HD1      LEU  69 -10.896  -5.348   3.009
  501   3HD1  LEU  69          1HD1      LEU  69  -9.808  -4.108   3.677
  502   1HD2  LEU  69          3HD2      LEU  69  -9.192  -5.782  -0.097
  503   2HD2  LEU  69          1HD2      LEU  69  -9.221  -6.591   1.489
  504   3HD2  LEU  69          2HD2      LEU  69 -10.742  -6.061   0.732
  505    H    THR  70           H        THR  70  -9.262  -0.404  -0.782
  506    HA   THR  70           HA       THR  70 -10.823  -0.674  -3.102
  507    HB   THR  70           HB       THR  70 -11.117   1.313  -1.833
  508    HG1  THR  70           HG1      THR  70  -9.093   2.046  -3.816
  509   1HG2  THR  70          2HG2      THR  70  -8.078   1.346  -1.758
  510   2HG2  THR  70          3HG2      THR  70  -8.985   2.866  -1.569
  511   3HG2  THR  70          1HG2      THR  70  -9.226   1.536  -0.410
  512    H    MET  71           H        MET  71  -7.306  -0.205  -2.594
  513    HA   MET  71           HA       MET  71  -6.658   0.460  -5.168
  514   1HB   MET  71          1HB       MET  71  -5.342  -0.275  -2.740
  515   2HB   MET  71          2HB       MET  71  -4.709  -1.379  -3.946
  516   1HG   MET  71          1HG       MET  71  -4.810   1.253  -5.134
  517   2HG   MET  71          2HG       MET  71  -4.057   1.408  -3.559
  518   1HE   MET  71          1HE       MET  71  -2.436   2.347  -5.155
  519   2HE   MET  71          2HE       MET  71  -1.114   1.533  -4.284
  520   3HE   MET  71          3HE       MET  71  -1.205   1.432  -6.058
  521    H    MET  72           H        MET  72  -6.601  -2.852  -3.653
  522    HA   MET  72           HA       MET  72  -5.889  -4.245  -5.860
  523   1HB   MET  72          1HB       MET  72  -7.846  -4.949  -3.607
  524   2HB   MET  72          2HB       MET  72  -7.237  -6.144  -4.735
  525   1HG   MET  72          1HG       MET  72  -5.024  -4.572  -3.642
  526   2HG   MET  72          2HG       MET  72  -5.986  -5.245  -2.341
  527   1HE   MET  72          2HE       MET  72  -3.852  -5.465  -5.137
  528   2HE   MET  72          3HE       MET  72  -2.758  -6.668  -4.413
  529   3HE   MET  72          1HE       MET  72  -3.835  -7.136  -5.750
  530    H    ALA  73           H        ALA  73  -9.160  -3.069  -4.921
  531    HA   ALA  73           HA       ALA  73 -10.711  -4.452  -6.689
  532   1HB   ALA  73          3HB       ALA  73 -11.284  -2.695  -4.858
  533   2HB   ALA  73          1HB       ALA  73 -11.099  -1.497  -6.161
  534   3HB   ALA  73          2HB       ALA  73 -12.325  -2.780  -6.299
  535    H    ARG  74           H        ARG  74  -9.021  -1.285  -7.265
  536    HA   ARG  74           HA       ARG  74  -9.379  -1.834 -10.098
  537   1HB   ARG  74          1HB       ARG  74  -8.553   0.877  -9.021
  538   2HB   ARG  74          2HB       ARG  74  -9.427   0.507 -10.494
  539   1HG   ARG  74          1HG       ARG  74 -11.447  -0.068  -9.240
  540   2HG   ARG  74          2HG       ARG  74 -10.590   0.024  -7.714
  541   1HD   ARG  74          1HD       ARG  74 -10.934   2.397  -9.610
  542   2HD   ARG  74          2HD       ARG  74 -11.993   2.076  -8.251
  543    HE   ARG  74           HE       ARG  74  -9.328   2.054  -7.260
  544   1HH1  ARG  74          2HH2      ARG  74 -11.601   4.335  -8.678
  545   2HH1  ARG  74          1HH2      ARG  74 -10.924   5.709  -7.869
  546   1HH2  ARG  74          2HH1      ARG  74  -8.434   3.866  -6.192
  547   2HH2  ARG  74          1HH1      ARG  74  -9.111   5.441  -6.446
  548    H    LYS  75           H        LYS  75  -7.440  -3.346  -9.767
  549    HA   LYS  75           HA       LYS  75  -4.991  -2.691  -8.891
  550   1HB   LYS  75          1HB       LYS  75  -6.131  -4.679 -10.549
  551   2HB   LYS  75          2HB       LYS  75  -4.724  -4.084 -11.407
  552   1HG   LYS  75          1HG       LYS  75  -3.510  -4.284  -9.071
  553   2HG   LYS  75          2HG       LYS  75  -4.858  -5.316  -8.637
  554   1HD   LYS  75          1HD       LYS  75  -4.380  -6.809 -10.555
  555   2HD   LYS  75          2HD       LYS  75  -3.095  -5.747 -11.095
  556   1HE   LYS  75          1HE       LYS  75  -2.993  -6.824  -8.269
  557   2HE   LYS  75          2HE       LYS  75  -2.557  -7.889  -9.590
  558   1HZ   LYS  75          3HZ       LYS  75  -1.348  -5.373  -9.911
  559   2HZ   LYS  75          1HZ       LYS  75  -0.981  -5.986  -8.443
  560   3HZ   LYS  75          2HZ       LYS  75  -0.646  -6.843  -9.792
   
  No H/Q in entry =         560
  Start of MODEL   22
    1    H    MET   0           H        MET   0 -16.731 -25.346   5.625
    2    HA   MET   0           HA       MET   0 -17.085 -27.352   3.871
    3   1HB   MET   0          1HB       MET   0 -18.165 -26.507   6.356
    4   2HB   MET   0          2HB       MET   0 -19.576 -26.713   5.338
    5   1HG   MET   0          1HG       MET   0 -19.396 -28.986   5.387
    6   2HG   MET   0          2HG       MET   0 -17.697 -28.936   4.963
    7   1HE   MET   0          3HE       MET   0 -17.080 -30.786   6.195
    8   2HE   MET   0          1HE       MET   0 -15.820 -29.717   6.858
    9   3HE   MET   0          2HE       MET   0 -16.714 -30.814   7.937
   10    H    ALA   1           H        ALA   1 -18.978 -24.289   4.099
   11    HA   ALA   1           HA       ALA   1 -19.630 -24.359   1.366
   12   1HB   ALA   1          3HB       ALA   1 -21.663 -25.414   3.334
   13   2HB   ALA   1          1HB       ALA   1 -22.195 -24.532   1.883
   14   3HB   ALA   1          2HB       ALA   1 -21.238 -26.023   1.716
   15    H    ASP   2           H        ASP   2 -18.630 -22.262   1.734
   16    HA   ASP   2           HA       ASP   2 -20.351 -20.466   3.245
   17   1HB   ASP   2          1HB       ASP   2 -17.469 -20.092   2.300
   18   2HB   ASP   2          2HB       ASP   2 -18.372 -18.934   3.257
   19    H    GLN   3           H        GLN   3 -19.711 -18.005   2.131
   20    HA   GLN   3           HA       GLN   3 -20.175 -18.383  -0.722
   21   1HB   GLN   3          1HB       GLN   3 -22.066 -17.427   1.106
   22   2HB   GLN   3          2HB       GLN   3 -21.414 -15.958   0.408
   23   1HG   GLN   3          1HG       GLN   3 -21.891 -16.771  -1.872
   24   2HG   GLN   3          2HG       GLN   3 -22.409 -18.324  -1.247
   25   1HE2  GLN   3          2HE2      GLN   3 -25.347 -16.099  -1.989
   26   2HE2  GLN   3          1HE2      GLN   3 -23.948 -16.621  -2.867
   27    H    LEU   4           H        LEU   4 -19.587 -16.400  -2.047
   28    HA   LEU   4           HA       LEU   4 -17.006 -15.596  -1.488
   29   1HB   LEU   4          1HB       LEU   4 -17.438 -13.881  -3.265
   30   2HB   LEU   4          2HB       LEU   4 -17.730 -15.551  -3.705
   31    HG   LEU   4           HG       LEU   4 -20.227 -14.779  -2.884
   32   1HD1  LEU   4          2HD1      LEU   4 -18.817 -12.355  -3.990
   33   2HD1  LEU   4          3HD1      LEU   4 -20.574 -12.582  -4.164
   34   3HD1  LEU   4          1HD1      LEU   4 -19.844 -12.498  -2.543
   35   1HD2  LEU   4          2HD2      LEU   4 -19.238 -15.900  -5.057
   36   2HD2  LEU   4          3HD2      LEU   4 -20.852 -15.150  -5.055
   37   3HD2  LEU   4          1HD2      LEU   4 -19.462 -14.267  -5.730
   38    H    THR   5           H        THR   5 -16.840 -12.819  -1.796
   39    HA   THR   5           HA       THR   5 -16.639 -11.028  -0.480
   40    HB   THR   5           HB       THR   5 -18.967 -10.284   0.461
   41    HG1  THR   5           HG1      THR   5 -20.121 -12.209   0.565
   42   1HG2  THR   5          1HG2      THR   5 -18.331 -10.919  -2.432
   43   2HG2  THR   5          2HG2      THR   5 -19.984 -10.407  -2.014
   44   3HG2  THR   5          3HG2      THR   5 -18.606  -9.335  -1.667
   45    H    GLU   6           H        GLU   6 -16.399 -10.167   1.676
   46    HA   GLU   6           HA       GLU   6 -15.971 -10.299   3.803
   47   1HB   GLU   6          1HB       GLU   6 -17.752 -12.776   3.852
   48   2HB   GLU   6          2HB       GLU   6 -17.188 -11.912   5.269
   49   1HG   GLU   6          1HG       GLU   6 -18.304  -9.809   4.294
   50   2HG   GLU   6          2HG       GLU   6 -19.030 -10.846   3.084
   51    H    GLU   7           H        GLU   7 -16.049 -13.664   2.428
   52    HA   GLU   7           HA       GLU   7 -13.810 -14.414   3.996
   53   1HB   GLU   7          1HB       GLU   7 -15.245 -15.788   1.683
   54   2HB   GLU   7          2HB       GLU   7 -13.944 -16.530   2.593
   55   1HG   GLU   7          1HG       GLU   7 -15.879 -15.450   4.464
   56   2HG   GLU   7          2HG       GLU   7 -16.732 -16.411   3.273
   57    H    GLN   8           H        GLN   8 -14.419 -13.651   0.510
   58    HA   GLN   8           HA       GLN   8 -11.998 -14.245  -0.509
   59   1HB   GLN   8          1HB       GLN   8 -14.271 -12.973  -1.414
   60   2HB   GLN   8          2HB       GLN   8 -13.115 -11.657  -1.462
   61   1HG   GLN   8          1HG       GLN   8 -13.145 -12.906  -3.610
   62   2HG   GLN   8          2HG       GLN   8 -11.572 -13.001  -2.844
   63   1HE2  GLN   8          2HE2      GLN   8 -14.093 -16.302  -2.654
   64   2HE2  GLN   8          1HE2      GLN   8 -14.706 -14.684  -2.571
   65    H    ILE   9           H        ILE   9 -12.964 -11.311   1.341
   66    HA   ILE   9           HA       ILE   9 -10.699  -9.795   0.914
   67    HB   ILE   9           HB       ILE   9 -13.025  -9.535   2.294
   68   1HG1  ILE   9          1HG1      ILE   9 -11.574  -7.387   3.198
   69   2HG1  ILE   9          2HG1      ILE   9 -10.602  -7.916   1.839
   70   1HG2  ILE   9          1HG2      ILE   9 -10.807  -9.710   4.351
   71   2HG2  ILE   9          2HG2      ILE   9 -12.417  -9.007   4.637
   72   3HG2  ILE   9          3HG2      ILE   9 -12.258 -10.735   4.242
   73   1HD1  ILE   9          1HD1      ILE   9 -13.577  -7.801   1.419
   74   2HD1  ILE   9          2HD1      ILE   9 -12.698  -6.256   1.528
   75   3HD1  ILE   9          3HD1      ILE   9 -12.255  -7.447   0.280
   76    H    ALA  10           H        ALA  10 -11.369 -12.267   3.479
   77    HA   ALA  10           HA       ALA  10  -9.164 -12.098   4.985
   78   1HB   ALA  10          3HB       ALA  10 -11.169 -13.807   4.898
   79   2HB   ALA  10          1HB       ALA  10 -10.021 -14.809   3.978
   80   3HB   ALA  10          2HB       ALA  10  -9.623 -14.291   5.634
   81    H    GLU  11           H        GLU  11  -9.377 -13.340   1.632
   82    HA   GLU  11           HA       GLU  11  -6.767 -14.378   1.632
   83   1HB   GLU  11          1HB       GLU  11  -8.550 -13.528  -0.694
   84   2HB   GLU  11          2HB       GLU  11  -7.094 -14.492  -0.845
   85   1HG   GLU  11          1HG       GLU  11  -8.084 -16.273   0.565
   86   2HG   GLU  11          2HG       GLU  11  -9.514 -15.298   0.837
   87    H    PHE  12           H        PHE  12  -8.256 -11.289   0.464
   88    HA   PHE  12           HA       PHE  12  -6.035 -10.191  -0.710
   89   1HB   PHE  12          1HB       PHE  12  -8.472  -9.192   0.828
   90   2HB   PHE  12          2HB       PHE  12  -7.281  -8.014   0.313
   91    HD1  PHE  12           HD1      PHE  12  -9.387 -10.778  -1.036
   92    HD2  PHE  12           HD2      PHE  12  -7.439  -7.088  -1.809
   93    HE1  PHE  12           HE1      PHE  12 -10.457 -10.687  -3.305
   94    HE2  PHE  12           HE2      PHE  12  -8.510  -6.997  -4.077
   95    HZ   PHE  12           HZ       PHE  12 -10.006  -8.798  -4.798
   96    H    LYS  13           H        LYS  13  -6.878 -10.501   2.746
   97    HA   LYS  13           HA       LYS  13  -5.386  -8.628   3.945
   98   1HB   LYS  13          1HB       LYS  13  -5.736 -11.545   4.679
   99   2HB   LYS  13          2HB       LYS  13  -4.978 -10.378   5.743
  100   1HG   LYS  13          1HG       LYS  13  -7.148  -8.932   5.299
  101   2HG   LYS  13          2HG       LYS  13  -7.847 -10.445   4.757
  102   1HD   LYS  13          1HD       LYS  13  -6.430 -10.251   7.442
  103   2HD   LYS  13          2HD       LYS  13  -8.112  -9.790   7.276
  104   1HE   LYS  13          1HE       LYS  13  -8.829 -11.968   6.985
  105   2HE   LYS  13          2HE       LYS  13  -7.414 -12.425   6.057
  106   1HZ   LYS  13          2HZ       LYS  13  -6.185 -12.272   8.216
  107   2HZ   LYS  13          3HZ       LYS  13  -7.633 -12.186   8.967
  108   3HZ   LYS  13          1HZ       LYS  13  -7.244 -13.509   8.092
  109    H    GLU  14           H        GLU  14  -4.096 -11.844   2.842
  110    HA   GLU  14           HA       GLU  14  -1.503 -11.381   3.521
  111   1HB   GLU  14          1HB       GLU  14  -2.635 -12.958   1.169
  112   2HB   GLU  14          2HB       GLU  14  -0.966 -13.061   1.695
  113   1HG   GLU  14          1HG       GLU  14  -2.177 -13.485   4.092
  114   2HG   GLU  14          2HG       GLU  14  -3.451 -14.077   3.044
  115    H    ALA  15           H        ALA  15  -3.309 -10.385   0.573
  116    HA   ALA  15           HA       ALA  15  -1.204  -9.550  -0.986
  117   1HB   ALA  15          1HB       ALA  15  -3.990  -9.484  -1.053
  118   2HB   ALA  15          2HB       ALA  15  -3.531  -7.765  -1.077
  119   3HB   ALA  15          3HB       ALA  15  -2.896  -8.873  -2.317
  120    H    PHE  16           H        PHE  16  -3.135  -7.599   1.402
  121    HA   PHE  16           HA       PHE  16  -1.846  -5.236   1.176
  122   1HB   PHE  16          1HB       PHE  16  -3.807  -5.981   2.686
  123   2HB   PHE  16          2HB       PHE  16  -2.631  -6.697   3.769
  124    HD1  PHE  16           HD1      PHE  16  -3.717  -3.471   2.301
  125    HD2  PHE  16           HD2      PHE  16  -1.550  -5.393   5.402
  126    HE1  PHE  16           HE1      PHE  16  -3.487  -1.277   3.500
  127    HE2  PHE  16           HE2      PHE  16  -1.319  -3.199   6.600
  128    HZ   PHE  16           HZ       PHE  16  -2.290  -1.168   5.635
  129    H    SER  17           H        SER  17  -0.680  -8.217   2.772
  130    HA   SER  17           HA       SER  17   1.316  -7.135   4.288
  131   1HB   SER  17          1HB       SER  17   0.433  -9.618   3.952
  132   2HB   SER  17          2HB       SER  17   1.750  -9.731   2.801
  133    HG   SER  17           HG       SER  17   2.357 -10.399   4.981
  134    H    LEU  18           H        LEU  18   1.471  -8.380   0.872
  135    HA   LEU  18           HA       LEU  18   4.046  -8.045   0.267
  136   1HB   LEU  18          1HB       LEU  18   1.526  -7.960  -1.164
  137   2HB   LEU  18          2HB       LEU  18   2.719  -6.924  -1.922
  138    HG   LEU  18           HG       LEU  18   4.206  -9.173  -1.516
  139   1HD1  LEU  18          2HD1      LEU  18   1.331 -10.028  -1.796
  140   2HD1  LEU  18          3HD1      LEU  18   2.664 -11.033  -2.413
  141   3HD1  LEU  18          1HD1      LEU  18   2.585 -10.625  -0.682
  142   1HD2  LEU  18          2HD2      LEU  18   2.579  -8.182  -3.836
  143   2HD2  LEU  18          3HD2      LEU  18   4.342  -8.181  -3.595
  144   3HD2  LEU  18          1HD2      LEU  18   3.497  -9.702  -3.970
  145    H    PHE  19           H        PHE  19   1.593  -5.366   0.190
  146    HA   PHE  19           HA       PHE  19   3.565  -3.408  -0.331
  147   1HB   PHE  19          1HB       PHE  19   0.672  -3.469   0.688
  148   2HB   PHE  19          2HB       PHE  19   1.513  -1.947   0.470
  149    HD1  PHE  19           HD2      PHE  19   2.151  -1.194  -1.791
  150    HD2  PHE  19           HD1      PHE  19  -0.123  -4.728  -1.197
  151    HE1  PHE  19           HE2      PHE  19   1.487  -1.175  -4.211
  152    HE2  PHE  19           HE1      PHE  19  -0.786  -4.708  -3.617
  153    HZ   PHE  19           HZ       PHE  19   0.027  -2.932  -5.096
  154    H    ASP  20           H        ASP  20   1.735  -4.421   2.632
  155    HA   ASP  20           HA       ASP  20   3.175  -2.536   4.202
  156   1HB   ASP  20          1HB       ASP  20   0.900  -3.049   4.851
  157   2HB   ASP  20          2HB       ASP  20   1.206  -4.774   4.824
  158    H    LYS  21           H        LYS  21   5.410  -3.116   4.240
  159    HA   LYS  21           HA       LYS  21   6.271  -5.797   4.418
  160   1HB   LYS  21          1HB       LYS  21   7.522  -3.805   3.456
  161   2HB   LYS  21          2HB       LYS  21   7.857  -3.311   5.103
  162   1HG   LYS  21          1HG       LYS  21   8.444  -6.177   4.426
  163   2HG   LYS  21          2HG       LYS  21   9.487  -4.975   3.692
  164   1HD   LYS  21          1HD       LYS  21  10.019  -4.023   5.914
  165   2HD   LYS  21          2HD       LYS  21   8.895  -5.124   6.685
  166   1HE   LYS  21          1HE       LYS  21  10.663  -6.538   6.935
  167   2HE   LYS  21          2HE       LYS  21  10.512  -6.864   5.220
  168   1HZ   LYS  21          1HZ       LYS  21  11.894  -4.550   5.318
  169   2HZ   LYS  21          2HZ       LYS  21  12.502  -5.382   6.585
  170   3HZ   LYS  21          3HZ       LYS  21  12.539  -6.032   5.088
  171    H    ASP  22           H        ASP  22   6.372  -3.085   6.843
  172    HA   ASP  22           HA       ASP  22   7.250  -4.513   8.941
  173   1HB   ASP  22          1HB       ASP  22   5.008  -2.450   9.112
  174   2HB   ASP  22          2HB       ASP  22   6.168  -2.835  10.368
  175    H    GLY  23           H        GLY  23   4.183  -4.732   7.255
  176   1HA   GLY  23          1HA       GLY  23   2.321  -5.950   7.567
  177   2HA   GLY  23          2HA       GLY  23   3.328  -7.059   8.476
  178    H    ASP  24           H        ASP  24   3.226  -3.760   9.660
  179    HA   ASP  24           HA       ASP  24   2.272  -4.560  12.124
  180   1HB   ASP  24          1HB       ASP  24   1.988  -2.060  12.512
  181   2HB   ASP  24          2HB       ASP  24   3.578  -2.546  11.959
  182    H    GLY  25           H        GLY  25   0.700  -3.645   9.107
  183   1HA   GLY  25          1HA       GLY  25  -1.632  -4.394   8.954
  184   2HA   GLY  25          2HA       GLY  25  -1.924  -3.578  10.478
  185    H    THR  26           H        THR  26   0.392  -1.859   8.607
  186    HA   THR  26           HA       THR  26  -1.661  -0.273   7.252
  187    HB   THR  26           HB       THR  26  -0.298   1.770   8.209
  188    HG1  THR  26           HG1      THR  26   1.331   0.905   9.448
  189   1HG2  THR  26          1HG2      THR  26  -2.641   1.162   8.987
  190   2HG2  THR  26          2HG2      THR  26  -1.906   0.070  10.185
  191   3HG2  THR  26          3HG2      THR  26  -1.620   1.824  10.286
  192    H    ILE  27           H        ILE  27  -0.689   1.280   5.662
  193    HA   ILE  27           HA       ILE  27   1.907   0.300   4.722
  194    HB   ILE  27           HB       ILE  27  -0.608   0.640   3.089
  195   1HG1  ILE  27          1HG1      ILE  27   1.139  -1.809   3.418
  196   2HG1  ILE  27          2HG1      ILE  27  -0.259  -1.493   4.426
  197   1HG2  ILE  27          1HG2      ILE  27   1.881   1.352   2.226
  198   2HG2  ILE  27          2HG2      ILE  27   1.815  -0.361   1.750
  199   3HG2  ILE  27          3HG2      ILE  27   0.563   0.769   1.182
  200   1HD1  ILE  27          3HD1      ILE  27  -1.652  -1.287   2.302
  201   2HD1  ILE  27          1HD1      ILE  27  -0.225  -1.844   1.397
  202   3HD1  ILE  27          2HD1      ILE  27  -0.987  -2.910   2.602
  203    H    THR  28           H        THR  28   3.309   1.965   4.707
  204    HA   THR  28           HA       THR  28   2.212   4.668   4.569
  205    HB   THR  28           HB       THR  28   3.759   4.081   6.423
  206    HG1  THR  28           HG1      THR  28   4.136   6.203   5.788
  207   1HG2  THR  28          3HG2      THR  28   5.140   2.577   4.467
  208   2HG2  THR  28          1HG2      THR  28   6.179   3.995   4.748
  209   3HG2  THR  28          2HG2      THR  28   5.722   2.943   6.109
  210    H    THR  29           H        THR  29   4.821   5.732   3.591
  211    HA   THR  29           HA       THR  29   4.211   5.379   0.764
  212    HB   THR  29           HB       THR  29   5.932   7.370   0.721
  213    HG1  THR  29           HG1      THR  29   6.798   7.247   2.809
  214   1HG2  THR  29          2HG2      THR  29   3.117   7.291   1.597
  215   2HG2  THR  29          3HG2      THR  29   4.001   8.649   2.332
  216   3HG2  THR  29          1HG2      THR  29   3.935   8.485   0.561
  217    H    LYS  30           H        LYS  30   6.850   4.831   3.128
  218    HA   LYS  30           HA       LYS  30   8.717   4.068   1.137
  219   1HB   LYS  30          1HB       LYS  30   8.694   4.550   3.944
  220   2HB   LYS  30          2HB       LYS  30   9.323   2.933   3.703
  221   1HG   LYS  30          1HG       LYS  30  11.155   3.675   2.435
  222   2HG   LYS  30          2HG       LYS  30  10.330   5.120   1.884
  223   1HD   LYS  30          1HD       LYS  30  11.083   6.347   3.649
  224   2HD   LYS  30          2HD       LYS  30  10.608   5.120   4.807
  225   1HE   LYS  30          1HE       LYS  30  12.674   3.885   4.486
  226   2HE   LYS  30          2HE       LYS  30  13.102   4.832   3.075
  227   1HZ   LYS  30          1HZ       LYS  30  13.222   6.772   4.531
  228   2HZ   LYS  30          2HZ       LYS  30  12.918   5.833   5.831
  229   3HZ   LYS  30          3HZ       LYS  30  14.286   5.612   4.967
  230    H    GLU  31           H        GLU  31   6.022   2.510   2.763
  231    HA   GLU  31           HA       GLU  31   7.014  -0.098   2.037
  232   1HB   GLU  31          1HB       GLU  31   4.487   0.798   3.489
  233   2HB   GLU  31          2HB       GLU  31   4.881  -0.879   3.165
  234   1HG   GLU  31          1HG       GLU  31   6.986  -0.665   4.465
  235   2HG   GLU  31          2HG       GLU  31   6.670   1.038   4.734
  236    H    LEU  32           H        LEU  32   5.232   2.467   0.641
  237    HA   LEU  32           HA       LEU  32   3.618   0.685  -1.003
  238   1HB   LEU  32          1HB       LEU  32   2.717   2.767   0.116
  239   2HB   LEU  32          2HB       LEU  32   3.689   3.700  -1.005
  240    HG   LEU  32           HG       LEU  32   2.320   2.011  -2.701
  241   1HD1  LEU  32          3HD1      LEU  32   0.972   1.236  -0.731
  242   2HD1  LEU  32          1HD1      LEU  32   0.325   2.889  -0.602
  243   3HD1  LEU  32          2HD1      LEU  32   0.023   1.926  -2.069
  244   1HD2  LEU  32          3HD2      LEU  32   2.366   4.824  -2.007
  245   2HD2  LEU  32          1HD2      LEU  32   2.152   4.040  -3.590
  246   3HD2  LEU  32          2HD2      LEU  32   0.745   4.313  -2.535
  247    H    GLY  33           H        GLY  33   6.408   2.928  -1.122
  248   1HA   GLY  33          1HA       GLY  33   6.667   2.677  -3.993
  249   2HA   GLY  33          2HA       GLY  33   7.715   3.547  -2.890
  250    H    THR  34           H        THR  34   7.348   0.660  -1.334
  251    HA   THR  34           HA       THR  34   9.917  -0.272  -2.217
  252    HB   THR  34           HB       THR  34   7.979  -0.716   0.010
  253    HG1  THR  34           HG1      THR  34   9.899  -0.104   0.945
  254   1HG2  THR  34          1HG2      THR  34   9.579  -2.950  -1.245
  255   2HG2  THR  34          2HG2      THR  34   9.614  -2.802   0.529
  256   3HG2  THR  34          3HG2      THR  34   8.064  -3.037  -0.315
  257    H    VAL  35           H        VAL  35   6.692  -1.924  -1.973
  258    HA   VAL  35           HA       VAL  35   7.320  -4.141  -3.395
  259    HB   VAL  35           HB       VAL  35   4.853  -2.547  -2.929
  260   1HG1  VAL  35          1HG1      VAL  35   5.180  -4.539  -5.143
  261   2HG1  VAL  35          2HG1      VAL  35   3.668  -4.548  -4.204
  262   3HG1  VAL  35          3HG1      VAL  35   4.174  -3.072  -5.062
  263   1HG2  VAL  35          3HG2      VAL  35   5.898  -5.289  -2.257
  264   2HG2  VAL  35          1HG2      VAL  35   5.312  -4.002  -1.175
  265   3HG2  VAL  35          2HG2      VAL  35   4.156  -4.939  -2.153
  266    H    MET  36           H        MET  36   6.968  -0.829  -4.558
  267    HA   MET  36           HA       MET  36   6.556  -1.528  -7.250
  268   1HB   MET  36          1HB       MET  36   7.692   1.010  -5.948
  269   2HB   MET  36          2HB       MET  36   7.169   0.910  -7.618
  270   1HG   MET  36          1HG       MET  36   5.019  -0.119  -6.010
  271   2HG   MET  36          2HG       MET  36   5.560   1.362  -5.246
  272   1HE   MET  36          3HE       MET  36   3.091   1.576  -5.729
  273   2HE   MET  36          1HE       MET  36   2.584   2.705  -7.009
  274   3HE   MET  36          2HE       MET  36   2.497   0.949  -7.285
  275    H    ARG  37           H        ARG  37   9.448  -0.764  -5.240
  276    HA   ARG  37           HA       ARG  37  11.209  -0.705  -7.399
  277   1HB   ARG  37          1HB       ARG  37  11.468  -0.969  -4.397
  278   2HB   ARG  37          2HB       ARG  37  12.884  -1.298  -5.376
  279   1HG   ARG  37          1HG       ARG  37  13.207   0.910  -5.840
  280   2HG   ARG  37          2HG       ARG  37  11.524   1.153  -6.262
  281   1HD   ARG  37          1HD       ARG  37  11.487   0.783  -3.457
  282   2HD   ARG  37          2HD       ARG  37  12.911   1.764  -3.743
  283    HE   ARG  37           HE       ARG  37  10.537   2.680  -5.208
  284   1HH1  ARG  37          2HH2      ARG  37  12.357   2.906  -2.206
  285   2HH1  ARG  37          1HH2      ARG  37  11.699   4.449  -1.774
  286   1HH2  ARG  37          1HH1      ARG  37  10.159   5.485  -3.168
  287   2HH2  ARG  37          2HH1      ARG  37   9.668   4.716  -4.640
  288    H    SER  38           H        SER  38  10.118  -3.271  -5.110
  289    HA   SER  38           HA       SER  38  11.927  -5.203  -5.704
  290   1HB   SER  38          1HB       SER  38   8.948  -5.463  -5.105
  291   2HB   SER  38          2HB       SER  38  10.056  -6.821  -5.103
  292    HG   SER  38           HG       SER  38  10.779  -6.245  -3.170
  293    H    LEU  39           H        LEU  39   9.352  -3.865  -7.693
  294    HA   LEU  39           HA       LEU  39   9.476  -6.112  -9.538
  295   1HB   LEU  39          1HB       LEU  39   7.523  -4.149  -8.789
  296   2HB   LEU  39          2HB       LEU  39   7.828  -4.027 -10.510
  297    HG   LEU  39           HG       LEU  39   7.565  -6.715 -10.287
  298   1HD1  LEU  39          2HD1      LEU  39   7.105  -6.588  -7.869
  299   2HD1  LEU  39          3HD1      LEU  39   5.673  -5.585  -8.206
  300   3HD1  LEU  39          1HD1      LEU  39   5.740  -7.266  -8.788
  301   1HD2  LEU  39          1HD2      LEU  39   6.369  -4.928 -11.735
  302   2HD2  LEU  39          2HD2      LEU  39   5.554  -6.479 -11.419
  303   3HD2  LEU  39          3HD2      LEU  39   5.087  -5.025 -10.504
  304    H    GLY  40           H        GLY  40   9.185  -2.622 -10.346
  305   1HA   GLY  40          1HA       GLY  40  11.849  -2.349 -11.304
  306   2HA   GLY  40          2HA       GLY  40  10.758  -2.747 -12.617
  307    H    GLN  41           H        GLN  41   9.729  -0.942  -9.701
  308    HA   GLN  41           HA       GLN  41   9.595   1.439 -11.380
  309   1HB   GLN  41          1HB       GLN  41   7.483   0.146  -9.670
  310   2HB   GLN  41          2HB       GLN  41   7.505   1.896  -9.752
  311   1HG   GLN  41          1HG       GLN  41   7.757   1.377 -12.401
  312   2HG   GLN  41          2HG       GLN  41   6.946  -0.103 -11.929
  313   1HE2  GLN  41          2HE2      GLN  41   3.863   1.376 -11.014
  314   2HE2  GLN  41          1HE2      GLN  41   4.941   0.046 -10.751
  315    H    ASN  42           H        ASN  42   8.971   3.420  -9.687
  316    HA   ASN  42           HA       ASN  42   9.933   3.260  -7.123
  317   1HB   ASN  42          1HB       ASN  42  12.151   2.862  -8.307
  318   2HB   ASN  42          2HB       ASN  42  11.987   4.430  -9.073
  319   1HD2  ASN  42          2HD2      ASN  42  13.708   4.122  -5.504
  320   2HD2  ASN  42          1HD2      ASN  42  13.467   2.862  -6.668
  321    HA   PRO  43           HA       PRO  43   7.909   7.088  -8.629
  322   1HB   PRO  43          1HB       PRO  43   5.639   6.944  -7.114
  323   2HB   PRO  43          2HB       PRO  43   5.734   6.342  -8.757
  324   1HG   PRO  43          1HG       PRO  43   5.708   4.820  -6.223
  325   2HG   PRO  43          2HG       PRO  43   5.378   4.252  -7.847
  326   1HD   PRO  43          1HD       PRO  43   7.783   3.838  -6.341
  327   2HD   PRO  43          2HD       PRO  43   7.495   3.372  -8.006
  328    H    THR  44           H        THR  44   8.330   9.089  -7.878
  329    HA   THR  44           HA       THR  44   9.777   9.327  -5.533
  330    HB   THR  44           HB       THR  44   9.377  11.771  -5.907
  331    HG1  THR  44           HG1      THR  44   7.524  12.290  -7.036
  332   1HG2  THR  44          3HG2      THR  44  10.659  10.135  -7.695
  333   2HG2  THR  44          1HG2      THR  44   9.353  10.759  -8.731
  334   3HG2  THR  44          2HG2      THR  44  10.482  11.888  -7.946
  335    H    GLU  45           H        GLU  45   9.266  10.461  -3.512
  336    HA   GLU  45           HA       GLU  45   7.172   9.231  -2.236
  337   1HB   GLU  45          1HB       GLU  45   9.223  11.219  -1.609
  338   2HB   GLU  45          2HB       GLU  45   7.728  11.589  -0.773
  339   1HG   GLU  45          1HG       GLU  45   7.652   9.150  -0.006
  340   2HG   GLU  45          2HG       GLU  45   9.253   8.946  -0.690
  341    H    ALA  46           H        ALA  46   7.256  12.121  -4.229
  342    HA   ALA  46           HA       ALA  46   4.951  13.363  -3.158
  343   1HB   ALA  46          2HB       ALA  46   6.349  13.566  -5.855
  344   2HB   ALA  46          3HB       ALA  46   5.059  14.658  -5.298
  345   3HB   ALA  46          1HB       ALA  46   6.614  14.605  -4.434
  346    H    GLU  47           H        GLU  47   5.581  11.048  -5.858
  347    HA   GLU  47           HA       GLU  47   3.010  11.065  -6.857
  348   1HB   GLU  47          1HB       GLU  47   4.921  10.101  -8.067
  349   2HB   GLU  47          2HB       GLU  47   5.109   8.854  -6.851
  350   1HG   GLU  47          1HG       GLU  47   3.468   7.568  -7.769
  351   2HG   GLU  47          2HG       GLU  47   2.356   8.919  -7.864
  352    H    LEU  48           H        LEU  48   4.559   8.575  -4.692
  353    HA   LEU  48           HA       LEU  48   2.411   7.032  -4.182
  354   1HB   LEU  48          1HB       LEU  48   4.492   7.915  -2.177
  355   2HB   LEU  48          2HB       LEU  48   3.465   6.502  -2.038
  356    HG   LEU  48           HG       LEU  48   5.212   6.760  -4.458
  357   1HD1  LEU  48          1HD1      LEU  48   6.172   6.258  -1.656
  358   2HD1  LEU  48          2HD1      LEU  48   6.965   5.466  -3.039
  359   3HD1  LEU  48          3HD1      LEU  48   6.898   7.243  -2.949
  360   1HD2  LEU  48          2HD2      LEU  48   4.160   4.462  -2.796
  361   2HD2  LEU  48          3HD2      LEU  48   3.717   4.910  -4.461
  362   3HD2  LEU  48          1HD2      LEU  48   5.342   4.272  -4.114
  363    H    GLN  49           H        GLN  49   3.337   9.958  -2.229
  364    HA   GLN  49           HA       GLN  49   1.325  10.005  -0.500
  365   1HB   GLN  49          1HB       GLN  49   3.259  11.799  -1.324
  366   2HB   GLN  49          2HB       GLN  49   1.794  12.659  -1.754
  367   1HG   GLN  49          1HG       GLN  49   2.080  13.340   0.470
  368   2HG   GLN  49          2HG       GLN  49   0.978  11.992   0.669
  369   1HE2  GLN  49          2HE2      GLN  49   3.065  10.505   2.983
  370   2HE2  GLN  49          1HE2      GLN  49   1.493  11.044   2.495
  371    H    ASP  50           H        ASP  50   1.169  11.076  -3.944
  372    HA   ASP  50           HA       ASP  50  -1.430  12.057  -3.769
  373   1HB   ASP  50          1HB       ASP  50   0.603  11.662  -5.779
  374   2HB   ASP  50          2HB       ASP  50  -0.892  10.998  -6.406
  375    H    MET  51           H        MET  51   0.042   8.865  -4.590
  376    HA   MET  51           HA       MET  51  -2.344   7.687  -5.455
  377   1HB   MET  51          1HB       MET  51   0.162   6.387  -4.249
  378   2HB   MET  51          2HB       MET  51  -1.022   5.571  -5.251
  379   1HG   MET  51          1HG       MET  51  -0.399   6.819  -7.208
  380   2HG   MET  51          2HG       MET  51   0.449   8.032  -6.271
  381   1HE   MET  51          1HE       MET  51   0.927   6.161  -8.716
  382   2HE   MET  51          2HE       MET  51   2.575   5.492  -8.641
  383   3HE   MET  51          3HE       MET  51   1.182   4.477  -8.198
  384    H    ILE  52           H        ILE  52  -0.551   7.619  -2.304
  385    HA   ILE  52           HA       ILE  52  -2.174   5.847  -0.972
  386    HB   ILE  52           HB       ILE  52  -0.432   8.134  -0.153
  387   1HG1  ILE  52          1HG1      ILE  52  -0.296   5.171  -0.254
  388   2HG1  ILE  52          2HG1      ILE  52   0.944   6.371  -0.562
  389   1HG2  ILE  52          2HG2      ILE  52  -2.285   8.222   1.430
  390   2HG2  ILE  52          3HG2      ILE  52  -2.109   6.481   1.755
  391   3HG2  ILE  52          1HG2      ILE  52  -0.808   7.607   2.210
  392   1HD1  ILE  52          3HD1      ILE  52   1.085   6.837   1.901
  393   2HD1  ILE  52          1HD1      ILE  52  -0.116   5.554   2.182
  394   3HD1  ILE  52          2HD1      ILE  52   1.477   5.148   1.499
  395    H    ASN  53           H        ASN  53  -2.493   9.450  -1.243
  396    HA   ASN  53           HA       ASN  53  -4.627   9.810   0.336
  397   1HB   ASN  53          1HB       ASN  53  -3.570  11.119  -2.137
  398   2HB   ASN  53          2HB       ASN  53  -5.249  11.482  -1.792
  399   1HD2  ASN  53          1HD2      ASN  53  -2.771  13.102  -1.675
  400   2HD2  ASN  53          2HD2      ASN  53  -2.708  13.797  -0.089
  401    H    GLU  54           H        GLU  54  -4.613   8.949  -3.205
  402    HA   GLU  54           HA       GLU  54  -7.270   8.902  -3.659
  403   1HB   GLU  54          1HB       GLU  54  -5.035   7.150  -4.739
  404   2HB   GLU  54          2HB       GLU  54  -6.672   7.020  -5.349
  405   1HG   GLU  54          1HG       GLU  54  -6.493   9.661  -5.604
  406   2HG   GLU  54          2HG       GLU  54  -4.766   9.367  -5.534
  407    H    VAL  55           H        VAL  55  -5.250   6.438  -2.012
  408    HA   VAL  55           HA       VAL  55  -7.685   4.864  -1.556
  409    HB   VAL  55           HB       VAL  55  -5.867   3.148  -0.835
  410   1HG1  VAL  55          1HG1      VAL  55  -7.112   3.806  -3.361
  411   2HG1  VAL  55          2HG1      VAL  55  -5.518   3.062  -3.632
  412   3HG1  VAL  55          3HG1      VAL  55  -6.744   2.211  -2.661
  413   1HG2  VAL  55          3HG2      VAL  55  -4.051   4.958  -1.032
  414   2HG2  VAL  55          1HG2      VAL  55  -3.707   3.363  -1.745
  415   3HG2  VAL  55          2HG2      VAL  55  -4.184   4.722  -2.791
  416    H    ASP  56           H        ASP  56  -7.273   7.329  -0.154
  417    HA   ASP  56           HA       ASP  56  -7.382   6.284   2.473
  418   1HB   ASP  56          1HB       ASP  56  -5.053   6.517   2.651
  419   2HB   ASP  56          2HB       ASP  56  -4.993   7.854   1.520
  420    H    ALA  57           H        ALA  57  -9.249   7.388   3.095
  421    HA   ALA  57           HA       ALA  57  -9.551  10.151   2.165
  422   1HB   ALA  57          3HB       ALA  57 -11.291   7.871   2.312
  423   2HB   ALA  57          1HB       ALA  57 -11.918   9.128   3.405
  424   3HB   ALA  57          2HB       ALA  57 -11.644   9.499   1.686
  425    H    ASP  58           H        ASP  58  -8.564   8.276   4.834
  426    HA   ASP  58           HA       ASP  58  -9.704   9.988   6.810
  427   1HB   ASP  58          1HB       ASP  58  -8.463   8.601   8.403
  428   2HB   ASP  58          2HB       ASP  58  -9.258   7.568   7.232
  429    H    GLY  59           H        GLY  59  -6.890   9.841   4.740
  430   1HA   GLY  59          1HA       GLY  59  -4.886  10.902   4.734
  431   2HA   GLY  59          2HA       GLY  59  -5.875  12.290   5.140
  432    H    ASN  60           H        ASN  60  -5.126   9.354   7.129
  433    HA   ASN  60           HA       ASN  60  -4.466  11.078   9.301
  434   1HB   ASN  60          1HB       ASN  60  -4.400   9.048  10.625
  435   2HB   ASN  60          2HB       ASN  60  -5.726   8.848   9.497
  436   1HD2  ASN  60          2HD2      ASN  60  -2.994   6.032   9.714
  437   2HD2  ASN  60          1HD2      ASN  60  -3.487   7.166  10.927
  438    H    GLY  61           H        GLY  61  -2.869   9.430   6.672
  439   1HA   GLY  61          1HA       GLY  61  -0.625   9.940   6.139
  440   2HA   GLY  61          2HA       GLY  61  -0.244  10.063   7.845
  441    H    THR  62           H        THR  62  -2.140   7.496   6.135
  442    HA   THR  62           HA       THR  62  -0.123   5.621   5.887
  443    HB   THR  62           HB       THR  62  -0.724   6.118   8.619
  444    HG1  THR  62           HG1      THR  62   0.395   3.875   7.092
  445   1HG2  THR  62          3HG2      THR  62  -2.786   4.655   8.292
  446   2HG2  THR  62          1HG2      THR  62  -1.706   3.358   7.725
  447   3HG2  THR  62          2HG2      THR  62  -1.582   3.952   9.398
  448    H    ILE  63           H        ILE  63  -0.907   3.542   5.190
  449    HA   ILE  63           HA       ILE  63  -3.728   3.728   4.409
  450    HB   ILE  63           HB       ILE  63  -1.345   2.401   3.131
  451   1HG1  ILE  63          1HG1      ILE  63  -2.051   4.938   2.872
  452   2HG1  ILE  63          2HG1      ILE  63  -1.456   4.002   1.514
  453   1HG2  ILE  63          2HG2      ILE  63  -4.286   1.976   2.617
  454   2HG2  ILE  63          3HG2      ILE  63  -3.062   1.735   1.347
  455   3HG2  ILE  63          1HG2      ILE  63  -2.997   0.769   2.840
  456   1HD1  ILE  63          2HD1      ILE  63  -4.421   3.970   2.088
  457   2HD1  ILE  63          3HD1      ILE  63  -3.708   5.399   1.303
  458   3HD1  ILE  63          1HD1      ILE  63  -3.571   3.800   0.533
  459    H    ASP  64           H        ASP  64  -5.164   2.099   4.940
  460    HA   ASP  64           HA       ASP  64  -4.010   0.031   6.640
  461   1HB   ASP  64          1HB       ASP  64  -6.817   1.236   6.622
  462   2HB   ASP  64          2HB       ASP  64  -6.327  -0.096   7.651
  463    H    PHE  65           H        PHE  65  -6.196  -1.744   6.744
  464    HA   PHE  65           HA       PHE  65  -6.026  -2.992   4.219
  465   1HB   PHE  65          1HB       PHE  65  -6.328  -3.995   6.594
  466   2HB   PHE  65          2HB       PHE  65  -7.982  -3.417   6.555
  467    HD1  PHE  65           HD1      PHE  65  -6.026  -5.005   3.815
  468    HD2  PHE  65           HD2      PHE  65  -9.253  -5.369   6.547
  469    HE1  PHE  65           HE1      PHE  65  -6.743  -7.130   2.687
  470    HE2  PHE  65           HE2      PHE  65  -9.970  -7.493   5.419
  471    HZ   PHE  65           HZ       PHE  65  -8.706  -8.348   3.502
  472    HA   PRO  66           HA       PRO  66 -10.511  -1.465   3.909
  473   1HB   PRO  66          1HB       PRO  66 -11.343   0.572   5.530
  474   2HB   PRO  66          2HB       PRO  66 -11.644  -1.118   5.883
  475   1HG   PRO  66          1HG       PRO  66  -9.685   0.714   7.125
  476   2HG   PRO  66          2HG       PRO  66 -10.294  -0.814   7.728
  477   1HD   PRO  66          1HD       PRO  66  -7.734  -0.342   6.524
  478   2HD   PRO  66          2HD       PRO  66  -8.389  -1.890   7.021
  479    H    GLU  67           H        GLU  67  -7.753   0.393   4.140
  480    HA   GLU  67           HA       GLU  67  -8.940   2.436   2.455
  481   1HB   GLU  67          1HB       GLU  67  -6.098   2.503   3.498
  482   2HB   GLU  67          2HB       GLU  67  -7.134   3.847   3.061
  483   1HG   GLU  67          1HG       GLU  67  -8.028   2.033   5.304
  484   2HG   GLU  67          2HG       GLU  67  -6.732   3.168   5.626
  485    H    PHE  68           H        PHE  68  -6.792  -0.350   2.457
  486    HA   PHE  68           HA       PHE  68  -5.688   0.378  -0.129
  487   1HB   PHE  68          1HB       PHE  68  -4.031  -0.657   1.198
  488   2HB   PHE  68          2HB       PHE  68  -5.210  -1.558   2.130
  489    HD1  PHE  68           HD1      PHE  68  -6.396  -3.520   0.873
  490    HD2  PHE  68           HD2      PHE  68  -2.742  -1.765  -0.382
  491    HE1  PHE  68           HE1      PHE  68  -5.853  -5.589  -0.440
  492    HE2  PHE  68           HE2      PHE  68  -2.199  -3.834  -1.695
  493    HZ   PHE  68           HZ       PHE  68  -3.761  -5.721  -1.708
  494    H    LEU  69           H        LEU  69  -8.123  -1.723   1.373
  495    HA   LEU  69           HA       LEU  69  -8.403  -3.682  -0.504
  496   1HB   LEU  69          1HB       LEU  69 -10.230  -2.297   1.395
  497   2HB   LEU  69          2HB       LEU  69 -10.953  -3.328   0.176
  498    HG   LEU  69           HG       LEU  69  -8.775  -4.268   2.055
  499   1HD1  LEU  69          2HD1      LEU  69 -11.444  -3.605   2.728
  500   2HD1  LEU  69          3HD1      LEU  69 -11.337  -5.382   2.696
  501   3HD1  LEU  69          1HD1      LEU  69 -10.226  -4.441   3.721
  502   1HD2  LEU  69          3HD2      LEU  69  -9.141  -5.502  -0.109
  503   2HD2  LEU  69          1HD2      LEU  69  -9.343  -6.473   1.369
  504   3HD2  LEU  69          2HD2      LEU  69 -10.774  -5.902   0.478
  505    H    THR  70           H        THR  70  -9.032  -0.236  -0.792
  506    HA   THR  70           HA       THR  70 -10.763  -0.490  -3.064
  507    HB   THR  70           HB       THR  70 -10.998   1.446  -1.620
  508    HG1  THR  70           HG1      THR  70  -9.337   2.216  -3.907
  509   1HG2  THR  70          2HG2      THR  70  -8.095   1.310  -1.505
  510   2HG2  THR  70          3HG2      THR  70  -8.581   2.907  -2.124
  511   3HG2  THR  70          1HG2      THR  70  -9.189   2.339  -0.550
  512    H    MET  71           H        MET  71  -7.257  -0.125  -2.494
  513    HA   MET  71           HA       MET  71  -6.517   0.670  -4.994
  514   1HB   MET  71          1HB       MET  71  -5.301  -0.347  -2.611
  515   2HB   MET  71          2HB       MET  71  -4.701  -1.371  -3.900
  516   1HG   MET  71          1HG       MET  71  -4.647   1.381  -4.817
  517   2HG   MET  71          2HG       MET  71  -3.880   1.306  -3.243
  518   1HE   MET  71          3HE       MET  71  -2.965   1.735  -6.449
  519   2HE   MET  71          1HE       MET  71  -1.937   0.417  -7.064
  520   3HE   MET  71          2HE       MET  71  -3.705   0.214  -7.004
  521    H    MET  72           H        MET  72  -6.707  -2.748  -3.749
  522    HA   MET  72           HA       MET  72  -6.148  -3.870  -6.233
  523   1HB   MET  72          1HB       MET  72  -7.644  -4.973  -3.790
  524   2HB   MET  72          2HB       MET  72  -7.069  -5.971  -5.110
  525   1HG   MET  72          1HG       MET  72  -4.923  -4.237  -4.106
  526   2HG   MET  72          2HG       MET  72  -5.608  -5.194  -2.808
  527   1HE   MET  72          2HE       MET  72  -2.803  -5.134  -3.941
  528   2HE   MET  72          3HE       MET  72  -2.245  -6.660  -4.667
  529   3HE   MET  72          1HE       MET  72  -2.946  -5.389  -5.697
  530    H    ALA  73           H        ALA  73  -9.124  -2.651  -4.750
  531    HA   ALA  73           HA       ALA  73 -10.929  -4.074  -6.389
  532   1HB   ALA  73          3HB       ALA  73 -10.960  -2.030  -4.314
  533   2HB   ALA  73          1HB       ALA  73 -12.116  -1.644  -5.611
  534   3HB   ALA  73          2HB       ALA  73 -12.218  -3.205  -4.763
  535    H    ARG  74           H        ARG  74  -9.254  -0.890  -6.630
  536    HA   ARG  74           HA       ARG  74 -10.584  -0.396  -9.118
  537   1HB   ARG  74          1HB       ARG  74  -9.267   1.187  -7.104
  538   2HB   ARG  74          2HB       ARG  74  -8.397   1.447  -8.603
  539   1HG   ARG  74          1HG       ARG  74 -10.110   2.643  -9.518
  540   2HG   ARG  74          2HG       ARG  74 -11.308   1.460  -9.033
  541   1HD   ARG  74          1HD       ARG  74 -11.808   3.545  -7.876
  542   2HD   ARG  74          2HD       ARG  74 -11.230   2.397  -6.684
  543    HE   ARG  74           HE       ARG  74  -8.903   3.645  -7.396
  544   1HH1  ARG  74          2HH2      ARG  74 -12.060   4.917  -6.504
  545   2HH1  ARG  74          1HH2      ARG  74 -11.423   6.381  -5.834
  546   1HH2  ARG  74          1HH1      ARG  74  -9.133   6.760  -5.839
  547   2HH2  ARG  74          2HH1      ARG  74  -8.062   5.577  -6.513
  548    H    LYS  75           H        LYS  75  -8.993  -2.783  -9.120
  549    HA   LYS  75           HA       LYS  75  -6.392  -2.313 -10.089
  550   1HB   LYS  75          1HB       LYS  75  -8.206  -4.608  -9.703
  551   2HB   LYS  75          2HB       LYS  75  -7.079  -4.797 -11.031
  552   1HG   LYS  75          1HG       LYS  75  -5.726  -3.625  -8.717
  553   2HG   LYS  75          2HG       LYS  75  -6.536  -5.110  -8.257
  554   1HD   LYS  75          1HD       LYS  75  -5.195  -5.430 -10.842
  555   2HD   LYS  75          2HD       LYS  75  -4.064  -4.863  -9.630
  556   1HE   LYS  75          1HE       LYS  75  -4.204  -7.369  -9.721
  557   2HE   LYS  75          2HE       LYS  75  -4.612  -6.730  -8.141
  558   1HZ   LYS  75          2HZ       LYS  75  -6.973  -6.757  -9.415
  559   2HZ   LYS  75          3HZ       LYS  75  -6.264  -8.107 -10.000
  560   3HZ   LYS  75          1HZ       LYS  75  -6.449  -7.914  -8.389
   
  No H/Q in entry =         560
  Start of MODEL   23
    1    H    MET   0           H        MET   0 -22.181 -16.348   6.908
    2    HA   MET   0           HA       MET   0 -23.796 -18.051   6.914
    3   1HB   MET   0          1HB       MET   0 -23.629 -17.799   9.647
    4   2HB   MET   0          2HB       MET   0 -25.129 -16.935   9.378
    5   1HG   MET   0          1HG       MET   0 -25.953 -18.952   8.033
    6   2HG   MET   0          2HG       MET   0 -24.511 -19.808   8.542
    7   1HE   MET   0          2HE       MET   0 -24.857 -21.409   9.696
    8   2HE   MET   0          3HE       MET   0 -24.765 -21.157  11.455
    9   3HE   MET   0          1HE       MET   0 -26.266 -21.770  10.721
   10    H    ALA   1           H        ALA   1 -24.187 -16.551   5.102
   11    HA   ALA   1           HA       ALA   1 -26.738 -15.572   5.007
   12   1HB   ALA   1          3HB       ALA   1 -24.707 -13.531   5.936
   13   2HB   ALA   1          1HB       ALA   1 -26.129 -13.041   4.984
   14   3HB   ALA   1          2HB       ALA   1 -26.345 -13.845   6.558
   15    H    ASP   2           H        ASP   2 -27.008 -14.051   3.001
   16    HA   ASP   2           HA       ASP   2 -25.662 -15.288   0.914
   17   1HB   ASP   2          1HB       ASP   2 -27.460 -12.868   1.184
   18   2HB   ASP   2          2HB       ASP   2 -26.661 -13.155  -0.350
   19    H    GLN   3           H        GLN   3 -24.560 -13.757  -0.901
   20    HA   GLN   3           HA       GLN   3 -22.888 -12.513  -1.504
   21   1HB   GLN   3          1HB       GLN   3 -24.329 -10.868   0.284
   22   2HB   GLN   3          2HB       GLN   3 -22.654 -10.669   0.759
   23   1HG   GLN   3          1HG       GLN   3 -22.014 -10.064  -1.537
   24   2HG   GLN   3          2HG       GLN   3 -23.623 -10.431  -2.127
   25   1HE2  GLN   3          1HE2      GLN   3 -24.350  -8.533  -2.796
   26   2HE2  GLN   3          2HE2      GLN   3 -24.507  -7.098  -1.839
   27    H    LEU   4           H        LEU   4 -20.624 -12.642  -1.379
   28    HA   LEU   4           HA       LEU   4 -19.524 -14.479   0.344
   29   1HB   LEU   4          1HB       LEU   4 -17.343 -13.510  -0.410
   30   2HB   LEU   4          2HB       LEU   4 -18.437 -14.035  -1.674
   31    HG   LEU   4           HG       LEU   4 -18.959 -11.273  -1.206
   32   1HD1  LEU   4          1HD1      LEU   4 -16.566 -11.501  -0.191
   33   2HD1  LEU   4          2HD1      LEU   4 -16.054 -11.591  -1.893
   34   3HD1  LEU   4          3HD1      LEU   4 -16.938 -10.163  -1.303
   35   1HD2  LEU   4          1HD2      LEU   4 -17.892 -12.961  -3.443
   36   2HD2  LEU   4          2HD2      LEU   4 -19.411 -12.040  -3.329
   37   3HD2  LEU   4          3HD2      LEU   4 -17.870 -11.187  -3.586
   38    H    THR   5           H        THR   5 -17.329 -13.641   1.652
   39    HA   THR   5           HA       THR   5 -17.931 -11.325   3.263
   40    HB   THR   5           HB       THR   5 -18.577 -12.427   5.210
   41    HG1  THR   5           HG1      THR   5 -17.045 -14.632   4.021
   42   1HG2  THR   5          2HG2      THR   5 -19.166 -14.610   3.140
   43   2HG2  THR   5          3HG2      THR   5 -19.889 -14.508   4.763
   44   3HG2  THR   5          1HG2      THR   5 -20.253 -13.260   3.547
   45    H    GLU   6           H        GLU   6 -16.199 -12.024   5.433
   46    HA   GLU   6           HA       GLU   6 -13.853 -11.130   4.528
   47   1HB   GLU   6          1HB       GLU   6 -14.336 -13.095   6.808
   48   2HB   GLU   6          2HB       GLU   6 -12.835 -12.221   6.578
   49   1HG   GLU   6          1HG       GLU   6 -14.127 -10.049   6.686
   50   2HG   GLU   6          2HG       GLU   6 -15.585 -10.964   7.018
   51    H    GLU   7           H        GLU   7 -15.005 -14.530   4.545
   52    HA   GLU   7           HA       GLU   7 -12.826 -15.952   4.140
   53   1HB   GLU   7          1HB       GLU   7 -15.473 -16.099   2.651
   54   2HB   GLU   7          2HB       GLU   7 -14.235 -17.324   2.458
   55   1HG   GLU   7          1HG       GLU   7 -14.518 -16.885   5.278
   56   2HG   GLU   7          2HG       GLU   7 -16.140 -16.997   4.625
   57    H    GLN   8           H        GLN   8 -14.301 -13.704   1.765
   58    HA   GLN   8           HA       GLN   8 -12.491 -14.496  -0.280
   59   1HB   GLN   8          1HB       GLN   8 -14.631 -12.380   0.011
   60   2HB   GLN   8          2HB       GLN   8 -13.502 -12.275  -1.325
   61   1HG   GLN   8          1HG       GLN   8 -15.224 -14.716  -0.680
   62   2HG   GLN   8          2HG       GLN   8 -15.583 -13.537  -1.926
   63   1HE2  GLN   8          2HE2      GLN   8 -13.308 -16.688  -2.755
   64   2HE2  GLN   8          1HE2      GLN   8 -14.399 -16.501  -1.423
   65    H    ILE   9           H        ILE   9 -12.878 -11.699   1.977
   66    HA   ILE   9           HA       ILE   9 -10.777 -10.177   0.976
   67    HB   ILE   9           HB       ILE   9 -12.702  -9.808   2.797
   68   1HG1  ILE   9          1HG1      ILE   9 -11.009  -7.814   3.534
   69   2HG1  ILE   9          2HG1      ILE   9 -10.223  -8.354   2.064
   70   1HG2  ILE   9          3HG2      ILE   9 -10.191 -10.321   4.411
   71   2HG2  ILE   9          1HG2      ILE   9 -11.619  -9.447   5.017
   72   3HG2  ILE   9          2HG2      ILE   9 -11.758 -11.156   4.540
   73   1HD1  ILE   9          2HD1      ILE   9 -13.211  -8.022   1.972
   74   2HD1  ILE   9          3HD1      ILE   9 -12.214  -6.548   2.022
   75   3HD1  ILE   9          1HD1      ILE   9 -11.997  -7.725   0.704
   76    H    ALA  10           H        ALA  10 -10.874 -12.897   3.317
   77    HA   ALA  10           HA       ALA  10  -8.451 -12.774   4.469
   78   1HB   ALA  10          2HB       ALA  10 -10.449 -14.711   4.016
   79   2HB   ALA  10          3HB       ALA  10  -8.931 -15.465   3.473
   80   3HB   ALA  10          1HB       ALA  10  -9.067 -14.833   5.131
   81    H    GLU  11           H        GLU  11  -9.188 -13.699   1.074
   82    HA   GLU  11           HA       GLU  11  -6.576 -14.523   0.505
   83   1HB   GLU  11          1HB       GLU  11  -8.811 -13.556  -1.331
   84   2HB   GLU  11          2HB       GLU  11  -7.334 -14.311  -1.894
   85   1HG   GLU  11          1HG       GLU  11  -7.866 -16.355  -0.546
   86   2HG   GLU  11          2HG       GLU  11  -9.345 -15.600   0.012
   87    H    PHE  12           H        PHE  12  -8.341 -11.398   0.208
   88    HA   PHE  12           HA       PHE  12  -6.350 -10.051  -1.217
   89   1HB   PHE  12          1HB       PHE  12  -8.638  -9.359   0.687
   90   2HB   PHE  12          2HB       PHE  12  -7.604  -8.070   0.104
   91    HD1  PHE  12           HD2      PHE  12  -9.308 -11.036  -1.419
   92    HD2  PHE  12           HD1      PHE  12  -8.503  -6.875  -1.635
   93    HE1  PHE  12           HE2      PHE  12 -10.684 -10.878  -3.512
   94    HE2  PHE  12           HE1      PHE  12  -9.879  -6.718  -3.729
   95    HZ   PHE  12           HZ       PHE  12 -10.953  -8.721  -4.642
   96    H    LYS  13           H        LYS  13  -6.772 -10.797   2.243
   97    HA   LYS  13           HA       LYS  13  -5.296  -8.944   3.495
   98   1HB   LYS  13          1HB       LYS  13  -5.339 -11.943   3.911
   99   2HB   LYS  13          2HB       LYS  13  -4.563 -10.834   5.023
  100   1HG   LYS  13          1HG       LYS  13  -6.861  -9.551   5.003
  101   2HG   LYS  13          2HG       LYS  13  -7.511 -11.024   4.312
  102   1HD   LYS  13          1HD       LYS  13  -7.184 -12.262   6.261
  103   2HD   LYS  13          2HD       LYS  13  -5.785 -11.330   6.753
  104   1HE   LYS  13          1HE       LYS  13  -7.092 -10.077   8.117
  105   2HE   LYS  13          2HE       LYS  13  -8.008  -9.516   6.733
  106   1HZ   LYS  13          1HZ       LYS  13  -8.942 -12.006   7.131
  107   2HZ   LYS  13          2HZ       LYS  13  -8.700 -11.483   8.659
  108   3HZ   LYS  13          3HZ       LYS  13  -9.664 -10.636   7.648
  109    H    GLU  14           H        GLU  14  -3.848 -11.960   2.061
  110    HA   GLU  14           HA       GLU  14  -1.267 -11.355   2.464
  111   1HB   GLU  14          1HB       GLU  14  -2.585 -12.737   0.095
  112   2HB   GLU  14          2HB       GLU  14  -0.846 -12.699   0.308
  113   1HG   GLU  14          1HG       GLU  14  -1.617 -13.522   2.813
  114   2HG   GLU  14          2HG       GLU  14  -2.918 -14.202   1.856
  115    H    ALA  15           H        ALA  15  -3.451 -10.054  -0.061
  116    HA   ALA  15           HA       ALA  15  -1.552  -8.881  -1.700
  117   1HB   ALA  15          1HB       ALA  15  -4.286  -9.099  -1.625
  118   2HB   ALA  15          2HB       ALA  15  -4.064  -7.370  -1.266
  119   3HB   ALA  15          3HB       ALA  15  -3.388  -8.063  -2.760
  120    H    PHE  16           H        PHE  16  -3.359  -7.471   1.122
  121    HA   PHE  16           HA       PHE  16  -2.086  -5.010   1.057
  122   1HB   PHE  16          1HB       PHE  16  -4.166  -5.825   2.360
  123   2HB   PHE  16          2HB       PHE  16  -3.082  -6.655   3.459
  124    HD1  PHE  16           HD1      PHE  16  -3.724  -3.248   2.080
  125    HD2  PHE  16           HD2      PHE  16  -2.367  -5.560   5.370
  126    HE1  PHE  16           HE1      PHE  16  -3.534  -1.164   3.466
  127    HE2  PHE  16           HE2      PHE  16  -2.176  -3.476   6.756
  128    HZ   PHE  16           HZ       PHE  16  -2.762  -1.303   5.787
  129    H    SER  17           H        SER  17  -1.089  -8.155   2.417
  130    HA   SER  17           HA       SER  17   0.848  -7.210   4.138
  131   1HB   SER  17          1HB       SER  17   0.523  -9.449   4.508
  132   2HB   SER  17          2HB       SER  17   0.168  -9.785   2.825
  133    HG   SER  17           HG       SER  17   2.230 -10.700   3.727
  134    H    LEU  18           H        LEU  18   1.057  -8.277   0.673
  135    HA   LEU  18           HA       LEU  18   3.680  -8.127   0.187
  136   1HB   LEU  18          1HB       LEU  18   1.233  -7.728  -1.333
  137   2HB   LEU  18          2HB       LEU  18   2.566  -6.798  -1.988
  138    HG   LEU  18           HG       LEU  18   3.796  -9.193  -1.647
  139   1HD1  LEU  18          1HD1      LEU  18   1.511 -10.092  -0.872
  140   2HD1  LEU  18          2HD1      LEU  18   1.057 -10.018  -2.592
  141   3HD1  LEU  18          3HD1      LEU  18   2.427 -11.032  -2.076
  142   1HD2  LEU  18          1HD2      LEU  18   2.290  -8.026  -3.976
  143   2HD2  LEU  18          2HD2      LEU  18   4.044  -8.101  -3.683
  144   3HD2  LEU  18          3HD2      LEU  18   3.151  -9.577  -4.121
  145    H    PHE  19           H        PHE  19   1.474  -5.240  -0.012
  146    HA   PHE  19           HA       PHE  19   3.590  -3.428  -0.295
  147   1HB   PHE  19          1HB       PHE  19   0.659  -3.375   0.571
  148   2HB   PHE  19          2HB       PHE  19   1.593  -1.894   0.639
  149    HD1  PHE  19           HD2      PHE  19   2.881  -1.299  -1.593
  150    HD2  PHE  19           HD1      PHE  19  -0.485  -3.872  -1.374
  151    HE1  PHE  19           HE2      PHE  19   2.413  -0.893  -4.025
  152    HE2  PHE  19           HE1      PHE  19  -0.954  -3.466  -3.806
  153    HZ   PHE  19           HZ       PHE  19   0.501  -1.982  -5.103
  154    H    ASP  20           H        ASP  20   1.652  -4.493   2.575
  155    HA   ASP  20           HA       ASP  20   3.024  -2.746   4.302
  156   1HB   ASP  20          1HB       ASP  20   0.851  -3.428   4.999
  157   2HB   ASP  20          2HB       ASP  20   1.165  -5.115   4.645
  158    H    LYS  21           H        LYS  21   5.312  -3.315   3.811
  159    HA   LYS  21           HA       LYS  21   6.131  -6.019   4.462
  160   1HB   LYS  21          1HB       LYS  21   7.070  -3.936   2.743
  161   2HB   LYS  21          2HB       LYS  21   8.338  -4.289   3.899
  162   1HG   LYS  21          1HG       LYS  21   6.860  -6.505   2.422
  163   2HG   LYS  21          2HG       LYS  21   8.267  -5.720   1.733
  164   1HD   LYS  21          1HD       LYS  21   9.730  -6.599   3.342
  165   2HD   LYS  21          2HD       LYS  21   8.480  -6.740   4.563
  166   1HE   LYS  21          1HE       LYS  21   7.697  -8.436   2.381
  167   2HE   LYS  21          2HE       LYS  21   9.398  -8.743   2.673
  168   1HZ   LYS  21          3HZ       LYS  21   7.749  -8.547   5.022
  169   2HZ   LYS  21          1HZ       LYS  21   7.469  -9.847   4.074
  170   3HZ   LYS  21          2HZ       LYS  21   8.962  -9.586   4.683
  171    H    ASP  22           H        ASP  22   5.005  -3.893   6.432
  172    HA   ASP  22           HA       ASP  22   7.326  -3.894   8.194
  173   1HB   ASP  22          1HB       ASP  22   6.386  -1.971   9.299
  174   2HB   ASP  22          2HB       ASP  22   6.279  -1.658   7.579
  175    H    GLY  23           H        GLY  23   4.111  -5.090   7.540
  176   1HA   GLY  23          1HA       GLY  23   2.677  -6.401   8.668
  177   2HA   GLY  23          2HA       GLY  23   4.069  -6.973   9.565
  178    H    ASP  24           H        ASP  24   1.526  -4.431   9.444
  179    HA   ASP  24           HA       ASP  24   1.619  -4.395  12.327
  180   1HB   ASP  24          1HB       ASP  24   1.527  -1.913  12.387
  181   2HB   ASP  24          2HB       ASP  24   3.024  -2.481  11.674
  182    H    GLY  25           H        GLY  25   0.144  -3.304   9.210
  183   1HA   GLY  25          1HA       GLY  25  -2.239  -4.192   9.089
  184   2HA   GLY  25          2HA       GLY  25  -2.503  -3.200  10.510
  185    H    THR  26           H        THR  26  -0.146  -1.520   8.905
  186    HA   THR  26           HA       THR  26  -2.059  -0.127   7.158
  187    HB   THR  26           HB       THR  26  -1.290   1.999   8.069
  188    HG1  THR  26           HG1      THR  26   0.934   1.437   8.397
  189   1HG2  THR  26          1HG2      THR  26  -1.666  -0.035  10.329
  190   2HG2  THR  26          2HG2      THR  26  -1.646   1.729  10.567
  191   3HG2  THR  26          3HG2      THR  26  -2.935   0.977   9.597
  192    H    ILE  27           H        ILE  27  -1.027   1.193   5.459
  193    HA   ILE  27           HA       ILE  27   1.623   0.119   4.790
  194    HB   ILE  27           HB       ILE  27  -0.764   0.493   2.981
  195   1HG1  ILE  27          1HG1      ILE  27   0.817  -1.991   3.706
  196   2HG1  ILE  27          2HG1      ILE  27  -0.750  -1.566   4.365
  197   1HG2  ILE  27          1HG2      ILE  27   1.485   1.242   2.031
  198   2HG2  ILE  27          2HG2      ILE  27   1.962  -0.471   2.117
  199   3HG2  ILE  27          3HG2      ILE  27   0.576   0.017   1.113
  200   1HD1  ILE  27          1HD1      ILE  27  -0.252  -1.837   1.370
  201   2HD1  ILE  27          2HD1      ILE  27  -0.795  -3.189   2.392
  202   3HD1  ILE  27          3HD1      ILE  27  -1.821  -1.746   2.206
  203    H    THR  28           H        THR  28   2.840   1.885   5.428
  204    HA   THR  28           HA       THR  28   1.987   4.550   4.966
  205    HB   THR  28           HB       THR  28   3.535   3.844   6.796
  206    HG1  THR  28           HG1      THR  28   4.090   5.945   6.343
  207   1HG2  THR  28          2HG2      THR  28   4.916   2.509   4.644
  208   2HG2  THR  28          3HG2      THR  28   5.982   3.799   5.250
  209   3HG2  THR  28          1HG2      THR  28   5.368   2.554   6.365
  210    H    THR  29           H        THR  29   4.638   5.506   3.975
  211    HA   THR  29           HA       THR  29   3.984   5.213   1.150
  212    HB   THR  29           HB       THR  29   5.810   7.122   1.126
  213    HG1  THR  29           HG1      THR  29   6.549   7.494   3.177
  214   1HG2  THR  29          2HG2      THR  29   3.228   7.544   2.722
  215   2HG2  THR  29          3HG2      THR  29   4.188   8.818   1.932
  216   3HG2  THR  29          1HG2      THR  29   3.340   7.602   0.947
  217    H    LYS  30           H        LYS  30   6.873   4.923   3.321
  218    HA   LYS  30           HA       LYS  30   8.603   4.004   1.378
  219   1HB   LYS  30          1HB       LYS  30   8.975   4.735   3.854
  220   2HB   LYS  30          2HB       LYS  30   8.716   3.043   4.230
  221   1HG   LYS  30          1HG       LYS  30  10.515   2.427   2.574
  222   2HG   LYS  30          2HG       LYS  30  10.798   4.130   2.275
  223   1HD   LYS  30          1HD       LYS  30  12.069   4.335   4.147
  224   2HD   LYS  30          2HD       LYS  30  10.827   3.608   5.148
  225   1HE   LYS  30          1HE       LYS  30  12.611   1.910   3.356
  226   2HE   LYS  30          2HE       LYS  30  13.115   2.372   4.969
  227   1HZ   LYS  30          3HZ       LYS  30  10.556   1.042   4.431
  228   2HZ   LYS  30          1HZ       LYS  30  11.922   0.227   4.799
  229   3HZ   LYS  30          2HZ       LYS  30  11.273   1.263   5.882
  230    H    GLU  31           H        GLU  31   5.894   2.423   2.982
  231    HA   GLU  31           HA       GLU  31   6.818  -0.172   2.171
  232   1HB   GLU  31          1HB       GLU  31   4.272   0.764   3.562
  233   2HB   GLU  31          2HB       GLU  31   4.609  -0.915   3.190
  234   1HG   GLU  31          1HG       GLU  31   6.921   0.282   4.506
  235   2HG   GLU  31          2HG       GLU  31   5.482   0.567   5.466
  236    H    LEU  32           H        LEU  32   4.978   2.472   0.887
  237    HA   LEU  32           HA       LEU  32   3.440   0.780  -0.892
  238   1HB   LEU  32          1HB       LEU  32   2.652   2.929   0.285
  239   2HB   LEU  32          2HB       LEU  32   3.584   3.783  -0.928
  240    HG   LEU  32           HG       LEU  32   2.176   2.270  -2.597
  241   1HD1  LEU  32          3HD1      LEU  32   1.110   1.232  -0.403
  242   2HD1  LEU  32          1HD1      LEU  32   0.030   2.638  -0.556
  243   3HD1  LEU  32          2HD1      LEU  32   0.161   1.467  -1.890
  244   1HD2  LEU  32          1HD2      LEU  32   2.010   4.934  -1.605
  245   2HD2  LEU  32          2HD2      LEU  32   1.517   4.299  -3.193
  246   3HD2  LEU  32          3HD2      LEU  32   0.354   4.328  -1.846
  247    H    GLY  33           H        GLY  33   6.415   2.698  -0.801
  248   1HA   GLY  33          1HA       GLY  33   6.714   2.546  -3.706
  249   2HA   GLY  33          2HA       GLY  33   7.728   3.418  -2.573
  250    H    THR  34           H        THR  34   7.217   0.508  -1.049
  251    HA   THR  34           HA       THR  34   9.826  -0.449  -1.813
  252    HB   THR  34           HB       THR  34   7.772  -0.917   0.331
  253    HG1  THR  34           HG1      THR  34   9.549   0.045   1.229
  254   1HG2  THR  34          1HG2      THR  34   9.588  -3.046  -0.796
  255   2HG2  THR  34          2HG2      THR  34   9.543  -2.863   0.974
  256   3HG2  THR  34          3HG2      THR  34   8.048  -3.226   0.078
  257    H    VAL  35           H        VAL  35   6.515  -1.942  -1.745
  258    HA   VAL  35           HA       VAL  35   7.127  -4.242  -3.048
  259    HB   VAL  35           HB       VAL  35   4.733  -2.520  -2.752
  260   1HG1  VAL  35          2HG1      VAL  35   4.601  -3.090  -5.136
  261   2HG1  VAL  35          3HG1      VAL  35   4.804  -4.814  -4.743
  262   3HG1  VAL  35          1HG1      VAL  35   3.350  -3.943  -4.201
  263   1HG2  VAL  35          3HG2      VAL  35   5.322  -5.458  -2.258
  264   2HG2  VAL  35          1HG2      VAL  35   5.279  -4.156  -1.046
  265   3HG2  VAL  35          2HG2      VAL  35   3.784  -4.646  -1.878
  266    H    MET  36           H        MET  36   6.850  -0.946  -4.364
  267    HA   MET  36           HA       MET  36   6.652  -1.705  -7.038
  268   1HB   MET  36          1HB       MET  36   7.842   0.810  -5.737
  269   2HB   MET  36          2HB       MET  36   7.411   0.687  -7.431
  270   1HG   MET  36          1HG       MET  36   5.168  -0.160  -5.746
  271   2HG   MET  36          2HG       MET  36   5.708   1.442  -5.285
  272   1HE   MET  36          3HE       MET  36   3.039   0.823  -6.188
  273   2HE   MET  36          1HE       MET  36   2.546   1.511  -7.754
  274   3HE   MET  36          2HE       MET  36   3.127  -0.169  -7.663
  275    H    ARG  37           H        ARG  37   9.429  -1.167  -4.831
  276    HA   ARG  37           HA       ARG  37  11.471  -0.869  -6.475
  277   1HB   ARG  37          1HB       ARG  37  11.300  -2.791  -4.101
  278   2HB   ARG  37          2HB       ARG  37  12.814  -2.306  -4.838
  279   1HG   ARG  37          1HG       ARG  37  10.792  -0.297  -3.750
  280   2HG   ARG  37          2HG       ARG  37  12.088  -0.959  -2.774
  281   1HD   ARG  37          1HD       ARG  37  13.725   0.260  -3.865
  282   2HD   ARG  37          2HD       ARG  37  12.942   0.122  -5.427
  283    HE   ARG  37           HE       ARG  37  11.209   1.768  -4.077
  284   1HH1  ARG  37          2HH2      ARG  37  14.700   1.854  -4.513
  285   2HH1  ARG  37          1HH2      ARG  37  14.799   3.581  -4.410
  286   1HH2  ARG  37          2HH1      ARG  37  11.339   4.045  -3.941
  287   2HH2  ARG  37          1HH1      ARG  37  12.874   4.835  -4.082
  288    H    SER  38           H        SER  38   9.566  -3.862  -5.979
  289    HA   SER  38           HA       SER  38  11.301  -5.608  -7.235
  290   1HB   SER  38          1HB       SER  38   8.962  -5.880  -5.899
  291   2HB   SER  38          2HB       SER  38   8.341  -6.015  -7.532
  292    HG   SER  38           HG       SER  38   9.361  -7.980  -6.157
  293    H    LEU  39           H        LEU  39   8.492  -3.686  -8.497
  294    HA   LEU  39           HA       LEU  39   8.815  -4.616 -11.151
  295   1HB   LEU  39          1HB       LEU  39   6.995  -3.009  -9.646
  296   2HB   LEU  39          2HB       LEU  39   7.468  -2.114 -11.077
  297    HG   LEU  39           HG       LEU  39   6.871  -4.195 -12.426
  298   1HD1  LEU  39          1HD1      LEU  39   6.820  -5.536 -10.133
  299   2HD1  LEU  39          2HD1      LEU  39   5.109  -5.047 -10.176
  300   3HD1  LEU  39          3HD1      LEU  39   5.800  -5.989 -11.519
  301   1HD2  LEU  39          1HD2      LEU  39   4.689  -2.724 -10.922
  302   2HD2  LEU  39          2HD2      LEU  39   5.481  -2.207 -12.430
  303   3HD2  LEU  39          3HD2      LEU  39   4.463  -3.667 -12.415
  304    H    GLY  40           H        GLY  40  10.461  -2.281  -9.161
  305   1HA   GLY  40          1HA       GLY  40  12.426  -1.229  -9.701
  306   2HA   GLY  40          2HA       GLY  40  12.180  -1.593 -11.397
  307    H    GLN  41           H        GLN  41   9.374  -0.303  -9.773
  308    HA   GLN  41           HA       GLN  41   9.450   1.979 -11.423
  309   1HB   GLN  41          1HB       GLN  41   7.561   0.684  -9.559
  310   2HB   GLN  41          2HB       GLN  41   7.453   2.433  -9.525
  311   1HG   GLN  41          1HG       GLN  41   7.276   2.426 -12.053
  312   2HG   GLN  41          2HG       GLN  41   7.264   0.674 -12.015
  313   1HE2  GLN  41          2HE2      GLN  41   4.004   0.298 -10.689
  314   2HE2  GLN  41          1HE2      GLN  41   5.579  -0.410 -10.825
  315    H    ASN  42           H        ASN  42  10.150   1.276  -7.979
  316    HA   ASN  42           HA       ASN  42  10.700   2.609  -6.310
  317   1HB   ASN  42          1HB       ASN  42  12.647   4.002  -8.168
  318   2HB   ASN  42          2HB       ASN  42  12.930   3.378  -6.555
  319   1HD2  ASN  42          2HD2      ASN  42  14.541   1.227  -9.200
  320   2HD2  ASN  42          1HD2      ASN  42  14.527   2.923  -8.850
  321    HA   PRO  43           HA       PRO  43   8.572   6.373  -7.832
  322   1HB   PRO  43          1HB       PRO  43   6.405   6.288  -6.169
  323   2HB   PRO  43          2HB       PRO  43   6.396   5.620  -7.790
  324   1HG   PRO  43          1HG       PRO  43   6.539   4.200  -5.201
  325   2HG   PRO  43          2HG       PRO  43   6.107   3.568  -6.777
  326   1HD   PRO  43          1HD       PRO  43   8.606   3.217  -5.414
  327   2HD   PRO  43          2HD       PRO  43   8.213   2.684  -7.036
  328    H    THR  44           H        THR  44   8.239   8.492  -6.893
  329    HA   THR  44           HA       THR  44  10.058   8.774  -4.663
  330    HB   THR  44           HB       THR  44   9.510  11.258  -5.178
  331    HG1  THR  44           HG1      THR  44   8.270  11.451  -7.179
  332   1HG2  THR  44          1HG2      THR  44  10.803   9.278  -7.018
  333   2HG2  THR  44          2HG2      THR  44  10.332  10.823  -7.766
  334   3HG2  THR  44          3HG2      THR  44  11.444  10.810  -6.377
  335    H    GLU  45           H        GLU  45   9.548   9.951  -2.699
  336    HA   GLU  45           HA       GLU  45   7.325   8.905  -1.468
  337   1HB   GLU  45          1HB       GLU  45   9.519  10.708  -0.805
  338   2HB   GLU  45          2HB       GLU  45   8.038  11.263  -0.050
  339   1HG   GLU  45          1HG       GLU  45   7.696   9.142   1.068
  340   2HG   GLU  45          2HG       GLU  45   8.925   8.351   0.100
  341    H    ALA  46           H        ALA  46   7.660  11.659  -3.585
  342    HA   ALA  46           HA       ALA  46   5.406  13.097  -2.588
  343   1HB   ALA  46          3HB       ALA  46   7.545  13.767  -4.082
  344   2HB   ALA  46          1HB       ALA  46   6.385  13.443  -5.392
  345   3HB   ALA  46          2HB       ALA  46   6.010  14.665  -4.153
  346    H    GLU  47           H        GLU  47   6.065  10.807  -5.309
  347    HA   GLU  47           HA       GLU  47   3.560  10.983  -6.443
  348   1HB   GLU  47          1HB       GLU  47   5.428   9.945  -7.611
  349   2HB   GLU  47          2HB       GLU  47   5.583   8.706  -6.382
  350   1HG   GLU  47          1HG       GLU  47   4.152   7.413  -7.572
  351   2HG   GLU  47          2HG       GLU  47   2.875   8.558  -7.210
  352    H    LEU  48           H        LEU  48   4.852   8.403  -4.217
  353    HA   LEU  48           HA       LEU  48   2.620   6.937  -3.874
  354   1HB   LEU  48          1HB       LEU  48   4.576   7.738  -1.715
  355   2HB   LEU  48          2HB       LEU  48   3.494   6.360  -1.663
  356    HG   LEU  48           HG       LEU  48   5.461   6.597  -3.920
  357   1HD1  LEU  48          3HD1      LEU  48   6.113   5.683  -1.109
  358   2HD1  LEU  48          1HD1      LEU  48   7.105   5.316  -2.540
  359   3HD1  LEU  48          2HD1      LEU  48   6.870   7.005  -2.029
  360   1HD2  LEU  48          2HD2      LEU  48   3.707   4.543  -2.760
  361   2HD2  LEU  48          3HD2      LEU  48   4.352   4.714  -4.410
  362   3HD2  LEU  48          1HD2      LEU  48   5.353   3.979  -3.134
  363    H    GLN  49           H        GLN  49   3.503   9.798  -1.808
  364    HA   GLN  49           HA       GLN  49   1.358   9.907  -0.252
  365   1HB   GLN  49          1HB       GLN  49   3.428  11.625  -0.873
  366   2HB   GLN  49          2HB       GLN  49   2.046  12.556  -1.414
  367   1HG   GLN  49          1HG       GLN  49   2.094  13.202   0.820
  368   2HG   GLN  49          2HG       GLN  49   1.014  11.827   0.939
  369   1HE2  GLN  49          2HE2      GLN  49   2.967  10.334   3.359
  370   2HE2  GLN  49          1HE2      GLN  49   1.418  10.811   2.748
  371    H    ASP  50           H        ASP  50   1.545  11.169  -3.641
  372    HA   ASP  50           HA       ASP  50  -1.005  12.227  -3.678
  373   1HB   ASP  50          1HB       ASP  50   1.148  11.671  -5.548
  374   2HB   ASP  50          2HB       ASP  50  -0.371  11.202  -6.285
  375    H    MET  51           H        MET  51   0.343   8.961  -4.404
  376    HA   MET  51           HA       MET  51  -2.041   7.933  -5.466
  377   1HB   MET  51          1HB       MET  51   0.295   6.466  -4.118
  378   2HB   MET  51          2HB       MET  51  -0.853   5.748  -5.230
  379   1HG   MET  51          1HG       MET  51  -0.010   7.000  -7.098
  380   2HG   MET  51          2HG       MET  51   0.829   8.142  -6.066
  381   1HE   MET  51          2HE       MET  51   1.743   6.252  -8.590
  382   2HE   MET  51          3HE       MET  51   2.770   4.870  -8.140
  383   3HE   MET  51          1HE       MET  51   1.004   4.767  -7.946
  384    H    ILE  52           H        ILE  52  -0.407   7.479  -2.245
  385    HA   ILE  52           HA       ILE  52  -2.223   5.862  -1.053
  386    HB   ILE  52           HB       ILE  52  -0.396   8.010  -0.082
  387   1HG1  ILE  52          1HG1      ILE  52  -0.519   5.032  -0.115
  388   2HG1  ILE  52          2HG1      ILE  52   0.824   6.108  -0.442
  389   1HG2  ILE  52          3HG2      ILE  52  -2.386   6.542   1.667
  390   2HG2  ILE  52          1HG2      ILE  52  -0.982   7.460   2.260
  391   3HG2  ILE  52          2HG2      ILE  52  -2.288   8.297   1.388
  392   1HD1  ILE  52          3HD1      ILE  52   0.875   6.695   2.031
  393   2HD1  ILE  52          1HD1      ILE  52  -0.347   5.427   2.290
  394   3HD1  ILE  52          2HD1      ILE  52   1.265   4.996   1.670
  395    H    ASN  53           H        ASN  53  -2.393   9.452  -1.426
  396    HA   ASN  53           HA       ASN  53  -4.572   9.927   0.091
  397   1HB   ASN  53          1HB       ASN  53  -3.441  11.144  -2.427
  398   2HB   ASN  53          2HB       ASN  53  -5.050  11.658  -1.961
  399   1HD2  ASN  53          2HD2      ASN  53  -2.064  13.580  -0.390
  400   2HD2  ASN  53          1HD2      ASN  53  -2.235  12.850  -1.951
  401    H    GLU  54           H        GLU  54  -4.301   8.492  -3.184
  402    HA   GLU  54           HA       GLU  54  -6.971   8.726  -3.901
  403   1HB   GLU  54          1HB       GLU  54  -4.975   6.576  -4.738
  404   2HB   GLU  54          2HB       GLU  54  -6.441   7.005  -5.597
  405   1HG   GLU  54          1HG       GLU  54  -5.415   9.449  -5.602
  406   2HG   GLU  54          2HG       GLU  54  -3.902   8.629  -5.269
  407    H    VAL  55           H        VAL  55  -5.189   6.366  -1.901
  408    HA   VAL  55           HA       VAL  55  -7.716   4.915  -1.519
  409    HB   VAL  55           HB       VAL  55  -5.831   3.243  -0.554
  410   1HG1  VAL  55          2HG1      VAL  55  -7.418   3.490  -2.978
  411   2HG1  VAL  55          3HG1      VAL  55  -5.903   2.606  -3.280
  412   3HG1  VAL  55          1HG1      VAL  55  -7.024   2.045  -2.016
  413   1HG2  VAL  55          3HG2      VAL  55  -4.054   4.909  -1.313
  414   2HG2  VAL  55          1HG2      VAL  55  -3.850   3.225  -1.853
  415   3HG2  VAL  55          2HG2      VAL  55  -4.481   4.450  -2.979
  416    H    ASP  56           H        ASP  56  -7.011   7.465  -0.250
  417    HA   ASP  56           HA       ASP  56  -7.317   6.555   2.439
  418   1HB   ASP  56          1HB       ASP  56  -4.956   6.695   2.573
  419   2HB   ASP  56          2HB       ASP  56  -4.874   8.053   1.468
  420    H    ALA  57           H        ALA  57  -9.298   7.679   2.631
  421    HA   ALA  57           HA       ALA  57  -9.386  10.439   1.686
  422   1HB   ALA  57          2HB       ALA  57 -11.133   8.590   1.149
  423   2HB   ALA  57          3HB       ALA  57 -11.689   8.837   2.822
  424   3HB   ALA  57          1HB       ALA  57 -11.729  10.187   1.663
  425    H    ASP  58           H        ASP  58  -8.639   8.648   4.477
  426    HA   ASP  58           HA       ASP  58  -9.905  10.371   6.337
  427   1HB   ASP  58          1HB       ASP  58  -9.261   8.781   7.837
  428   2HB   ASP  58          2HB       ASP  58  -8.770   7.848   6.438
  429    H    GLY  59           H        GLY  59  -6.711  10.000   4.741
  430   1HA   GLY  59          1HA       GLY  59  -5.066  11.535   4.451
  431   2HA   GLY  59          2HA       GLY  59  -5.975  12.699   5.394
  432    H    ASN  60           H        ASN  60  -5.178   9.393   6.537
  433    HA   ASN  60           HA       ASN  60  -4.031  10.493   8.868
  434   1HB   ASN  60          1HB       ASN  60  -3.670   8.111   9.505
  435   2HB   ASN  60          2HB       ASN  60  -5.292   8.341   8.884
  436   1HD2  ASN  60          2HD2      ASN  60  -4.093   5.277   7.309
  437   2HD2  ASN  60          1HD2      ASN  60  -4.558   5.874   8.867
  438    H    GLY  61           H        GLY  61  -2.927   9.559   5.686
  439   1HA   GLY  61          1HA       GLY  61  -0.777  10.208   4.945
  440   2HA   GLY  61          2HA       GLY  61  -0.128   9.896   6.542
  441    H    THR  62           H        THR  62  -1.711   7.326   6.835
  442    HA   THR  62           HA       THR  62  -0.009   5.694   5.073
  443    HB   THR  62           HB       THR  62   0.300   5.666   7.642
  444    HG1  THR  62           HG1      THR  62   0.991   3.651   7.042
  445   1HG2  THR  62          1HG2      THR  62  -2.398   4.243   7.363
  446   2HG2  THR  62          2HG2      THR  62  -1.317   4.039   8.763
  447   3HG2  THR  62          3HG2      THR  62  -2.029   5.633   8.412
  448    H    ILE  63           H        ILE  63  -1.113   3.298   5.017
  449    HA   ILE  63           HA       ILE  63  -3.871   3.785   4.131
  450    HB   ILE  63           HB       ILE  63  -1.725   2.134   2.796
  451   1HG1  ILE  63          1HG1      ILE  63  -2.245   4.841   2.574
  452   2HG1  ILE  63          2HG1      ILE  63  -1.378   3.851   1.417
  453   1HG2  ILE  63          3HG2      ILE  63  -4.703   2.259   2.365
  454   2HG2  ILE  63          1HG2      ILE  63  -3.589   1.847   1.039
  455   3HG2  ILE  63          2HG2      ILE  63  -3.639   0.838   2.505
  456   1HD1  ILE  63          3HD1      ILE  63  -4.407   3.996   1.331
  457   2HD1  ILE  63          1HD1      ILE  63  -3.411   5.259   0.570
  458   3HD1  ILE  63          2HD1      ILE  63  -3.275   3.570   0.025
  459    H    ASP  64           H        ASP  64  -5.399   2.196   4.644
  460    HA   ASP  64           HA       ASP  64  -4.370   0.218   6.515
  461   1HB   ASP  64          1HB       ASP  64  -7.210   1.295   6.186
  462   2HB   ASP  64          2HB       ASP  64  -6.692   0.165   7.420
  463    H    PHE  65           H        PHE  65  -6.565  -1.556   6.568
  464    HA   PHE  65           HA       PHE  65  -6.212  -2.926   4.101
  465   1HB   PHE  65          1HB       PHE  65  -6.539  -3.806   6.549
  466   2HB   PHE  65          2HB       PHE  65  -8.232  -3.394   6.368
  467    HD1  PHE  65           HD1      PHE  65  -5.824  -5.025   4.024
  468    HD2  PHE  65           HD2      PHE  65  -9.437  -5.357   6.226
  469    HE1  PHE  65           HE1      PHE  65  -6.257  -7.264   2.976
  470    HE2  PHE  65           HE2      PHE  65  -9.870  -7.596   5.178
  471    HZ   PHE  65           HZ       PHE  65  -8.275  -8.523   3.565
  472    HA   PRO  66           HA       PRO  66 -10.763  -1.656   3.651
  473   1HB   PRO  66          1HB       PRO  66 -11.752   0.365   5.203
  474   2HB   PRO  66          2HB       PRO  66 -11.963  -1.332   5.590
  475   1HG   PRO  66          1HG       PRO  66 -10.144   0.640   6.833
  476   2HG   PRO  66          2HG       PRO  66 -10.678  -0.908   7.458
  477   1HD   PRO  66          1HD       PRO  66  -8.121  -0.314   6.302
  478   2HD   PRO  66          2HD       PRO  66  -8.697  -1.885   6.821
  479    H    GLU  67           H        GLU  67  -8.140   0.398   3.938
  480    HA   GLU  67           HA       GLU  67  -9.396   2.339   2.194
  481   1HB   GLU  67          1HB       GLU  67  -6.565   2.509   3.271
  482   2HB   GLU  67          2HB       GLU  67  -7.612   3.817   2.756
  483   1HG   GLU  67          1HG       GLU  67  -8.635   2.110   5.001
  484   2HG   GLU  67          2HG       GLU  67  -7.259   3.129   5.371
  485    H    PHE  68           H        PHE  68  -7.064  -0.315   2.250
  486    HA   PHE  68           HA       PHE  68  -6.033   0.413  -0.361
  487   1HB   PHE  68          1HB       PHE  68  -4.332  -0.488   1.027
  488   2HB   PHE  68          2HB       PHE  68  -5.460  -1.500   1.909
  489    HD1  PHE  68           HD1      PHE  68  -6.361  -3.583   0.733
  490    HD2  PHE  68           HD2      PHE  68  -3.022  -1.388  -0.695
  491    HE1  PHE  68           HE1      PHE  68  -5.628  -5.573  -0.611
  492    HE2  PHE  68           HE2      PHE  68  -2.289  -3.377  -2.039
  493    HZ   PHE  68           HZ       PHE  68  -3.601  -5.446  -1.980
  494    H    LEU  69           H        LEU  69  -8.130  -2.024   1.244
  495    HA   LEU  69           HA       LEU  69  -8.373  -3.956  -0.577
  496   1HB   LEU  69          1HB       LEU  69 -10.337  -2.586   1.202
  497   2HB   LEU  69          2HB       LEU  69 -10.940  -3.754   0.043
  498    HG   LEU  69           HG       LEU  69  -8.718  -4.421   1.978
  499   1HD1  LEU  69          1HD1      LEU  69 -11.692  -4.417   2.427
  500   2HD1  LEU  69          2HD1      LEU  69 -10.641  -5.588   3.260
  501   3HD1  LEU  69          3HD1      LEU  69 -10.384  -3.842   3.487
  502   1HD2  LEU  69          2HD2      LEU  69  -9.059  -5.864  -0.030
  503   2HD2  LEU  69          3HD2      LEU  69  -9.278  -6.706   1.523
  504   3HD2  LEU  69          1HD2      LEU  69 -10.698  -6.223   0.563
  505    H    THR  70           H        THR  70  -9.738  -0.637  -0.843
  506    HA   THR  70           HA       THR  70 -11.257  -1.039  -3.134
  507    HB   THR  70           HB       THR  70 -11.430   0.974  -1.744
  508    HG1  THR  70           HG1      THR  70 -11.877   1.412  -3.944
  509   1HG2  THR  70          3HG2      THR  70  -8.722   0.942  -1.451
  510   2HG2  THR  70          1HG2      THR  70  -8.844   2.080  -2.815
  511   3HG2  THR  70          2HG2      THR  70  -9.674   2.436  -1.281
  512    H    MET  71           H        MET  71  -7.797  -0.002  -2.845
  513    HA   MET  71           HA       MET  71  -7.205   0.437  -5.388
  514   1HB   MET  71          1HB       MET  71  -5.807  -0.221  -3.006
  515   2HB   MET  71          2HB       MET  71  -5.217  -1.389  -4.173
  516   1HG   MET  71          1HG       MET  71  -5.343   1.213  -5.454
  517   2HG   MET  71          2HG       MET  71  -4.492   1.380  -3.931
  518   1HE   MET  71          3HE       MET  71  -2.658   2.134  -5.885
  519   2HE   MET  71          1HE       MET  71  -2.017   1.552  -4.330
  520   3HE   MET  71          2HE       MET  71  -1.282   1.005  -5.857
  521    H    MET  72           H        MET  72  -7.286  -2.858  -3.859
  522    HA   MET  72           HA       MET  72  -6.586  -4.213  -6.169
  523   1HB   MET  72          1HB       MET  72  -8.279  -5.056  -3.750
  524   2HB   MET  72          2HB       MET  72  -7.640  -6.189  -4.926
  525   1HG   MET  72          1HG       MET  72  -5.506  -4.428  -3.984
  526   2HG   MET  72          2HG       MET  72  -6.315  -5.168  -2.617
  527   1HE   MET  72          3HE       MET  72  -3.859  -5.153  -4.969
  528   2HE   MET  72          1HE       MET  72  -3.078  -6.751  -4.905
  529   3HE   MET  72          2HE       MET  72  -4.302  -6.408  -6.151
  530    H    ALA  73           H        ALA  73  -9.799  -3.286  -4.805
  531    HA   ALA  73           HA       ALA  73 -11.387  -4.711  -6.567
  532   1HB   ALA  73          2HB       ALA  73 -12.150  -3.562  -4.502
  533   2HB   ALA  73          3HB       ALA  73 -11.890  -1.990  -5.295
  534   3HB   ALA  73          1HB       ALA  73 -13.129  -3.106  -5.917
  535    H    ARG  74           H        ARG  74  -9.886  -1.436  -6.852
  536    HA   ARG  74           HA       ARG  74 -10.748  -1.475  -9.630
  537   1HB   ARG  74          1HB       ARG  74  -9.998   0.855  -7.796
  538   2HB   ARG  74          2HB       ARG  74 -10.282   1.046  -9.514
  539   1HG   ARG  74          1HG       ARG  74 -12.503   1.216  -9.103
  540   2HG   ARG  74          2HG       ARG  74 -12.506  -0.444  -8.541
  541   1HD   ARG  74          1HD       ARG  74 -13.406   1.084  -6.799
  542   2HD   ARG  74          2HD       ARG  74 -11.944   0.295  -6.241
  543    HE   ARG  74           HE       ARG  74 -10.801   2.362  -6.309
  544   1HH1  ARG  74          2HH2      ARG  74 -13.952   2.660  -7.847
  545   2HH1  ARG  74          1HH2      ARG  74 -13.891   4.390  -7.926
  546   1HH2  ARG  74          2HH1      ARG  74 -10.721   4.643  -6.413
  547   2HH2  ARG  74          1HH1      ARG  74 -12.041   5.525  -7.105
  548    H    LYS  75           H        LYS  75  -8.732  -3.064  -9.642
  549    HA   LYS  75           HA       LYS  75  -6.183  -2.401  -9.184
  550   1HB   LYS  75          1HB       LYS  75  -7.541  -4.344 -10.665
  551   2HB   LYS  75          2HB       LYS  75  -6.436  -3.623 -11.818
  552   1HG   LYS  75          1HG       LYS  75  -5.235  -4.123  -9.141
  553   2HG   LYS  75          2HG       LYS  75  -5.751  -5.576  -9.974
  554   1HD   LYS  75          1HD       LYS  75  -4.105  -3.465 -11.415
  555   2HD   LYS  75          2HD       LYS  75  -3.328  -4.672 -10.411
  556   1HE   LYS  75          1HE       LYS  75  -4.603  -6.454 -11.769
  557   2HE   LYS  75          2HE       LYS  75  -5.072  -5.170 -12.864
  558   1HZ   LYS  75          3HZ       LYS  75  -2.462  -4.768 -12.683
  559   2HZ   LYS  75          1HZ       LYS  75  -2.505  -6.390 -12.498
  560   3HZ   LYS  75          2HZ       LYS  75  -3.153  -5.703 -13.830
   
  No H/Q in entry =         560

REMARK NMR Structure of calcium calmodulin TR2C domain.

!set message=off echo=off end
assi (resid 77 and name HA )   (resid 77 and name HB# )   2.91 1.11 0.29
assi (resid 78 and name HA )   (resid 78 and name HB# )   2.44 0.64 0.24
assi (resid 78 and name HN )   (resid 77 and name HA )   2.32 0.52 0.23
assi (resid 78 and name HN )   (resid 77 and name HB# )   5.00 3.20 0.50
assi (resid 78 and name HN )   (resid 77 and name HG# )   5.00 3.20 0.50
assi (resid 78 and name HN )   (resid 78 and name HA )   5.00 3.20 0.50
assi (resid 78 and name HN )   (resid 78 and name HB# )   2.76 0.96 0.28
assi (resid 78 and name HN )   (resid 79 and name HN )   5.00 3.20 0.50
assi (resid 79 and name HB )   (resid 79 and name HG2# )   5.00 3.20 0.80
assi (resid 79 and name HN )   (resid 78 and name HA )   5.00 3.20 0.50
assi (resid 79 and name HN )   (resid 78 and name HB# )   5.00 3.20 0.50
assi (resid 79 and name HN )   (resid 79 and name HA )   5.00 3.20 0.50
assi (resid 79 and name HN )   (resid 79 and name HG2# )   3.30 1.50 0.63
assi (resid 80 and name HN )   (resid 79 and name HA )   2.60 0.80 0.26
assi (resid 80 and name HN )   (resid 79 and name HB )   5.00 3.20 0.50
assi (resid 80 and name HN )   (resid 79 and name HG2# )   2.98 1.18 0.60
assi (resid 80 and name HN )   (resid 79 and name HN )   5.00 3.20 0.50
assi (resid 80 and name HN )   (resid 80 and name HB# )   2.49 0.69 0.25
assi (resid 80 and name HN )   (resid 81 and name HN )   5.00 3.20 0.50
assi (resid 81 and name HA )   (resid 81 and name HB# )   5.00 3.20 0.50
assi (resid 81 and name HN )   (resid 79 and name HA )   5.00 3.20 0.50
assi (resid 81 and name HN )   (resid 79 and name HG2# )   5.00 3.20 0.80
assi (resid 81 and name HN )   (resid 80 and name HA )   5.00 3.20 0.50
assi (resid 81 and name HN )   (resid 80 and name HB# )   3.14 1.34 0.31
assi (resid 81 and name HN )   (resid 81 and name HB# )   2.70 0.90 0.27
assi (resid 81 and name HN )   (resid 82 and name HB# )   5.00 3.20 0.50
assi (resid 81 and name HN )   (resid 82 and name HG# )   5.00 3.20 0.50
assi (resid 81 and name HN )   (resid 84 and name HB# )   5.00 3.20 0.50
assi (resid 81 and name HN )   (resid 84 and name HN )   5.00 3.20 0.50
assi (resid 82 and name HN )   (resid 80 and name HB# )   5.00 3.20 0.50
assi (resid 82 and name HN )   (resid 81 and name HA )   2.81 1.01 0.28
assi (resid 82 and name HN )   (resid 81 and name HB# )   3.40 1.60 0.34
assi (resid 82 and name HN )   (resid 81 and name HN )   3.34 1.54 0.33
assi (resid 82 and name HN )   (resid 82 and name HB# )   2.38 0.58 0.24
assi (resid 82 and name HN )   (resid 82 and name HG# )   3.18 1.38 0.32
assi (resid 82 and name HN )   (resid 83 and name HN )   3.02 1.22 0.30
assi (resid 82 and name HN )   (resid 84 and name HN )   5.00 3.20 0.50
assi (resid 83 and name HA )   (resid 83 and name HG# )   2.12 0.32 0.21
assi (resid 83 and name HN )   (resid 81 and name HA )   5.00 3.20 0.50
assi (resid 83 and name HN )   (resid 82 and name HA )   3.02 1.22 0.30
assi (resid 83 and name HN )   (resid 83 and name HA )   2.56 0.76 0.26
assi (resid 83 and name HN )   (resid 84 and name HB# )   5.00 3.20 0.50
assi (resid 83 and name HN )   (resid 84 and name HN )   2.89 1.09 0.29
assi (resid 83 and name HN )   (resid 85 and name HD# )   5.00 3.20 0.80
assi (resid 83 and name HN )   (resid 85 and name HN )   5.00 3.20 0.50
assi (resid 84 and name HA )   (resid 84 and name HG# )   2.27 0.47 0.23
assi (resid 84 and name HN )   (resid 80 and name HB# )   5.00 3.20 0.50
assi (resid 84 and name HN )   (resid 81 and name HA )   5.00 3.20 0.50
assi (resid 84 and name HN )   (resid 81 and name HB# )   5.00 3.20 0.50
assi (resid 84 and name HN )   (resid 84 and name HB# )   2.33 0.53 0.23
assi (resid 85 and name HA )   (resid 85 and name HD# )   5.00 3.20 0.80
assi (resid 85 and name HA )   (resid 85 and name HG2# )   2.31 0.51 0.53
assi (resid 85 and name HB )   (resid 85 and name HD# )   2.49 0.69 0.55
assi (resid 85 and name HB )   (resid 85 and name HG1# )   2.18 0.38 0.22
assi (resid 85 and name HD# )   (resid 142 and name HG2# )   5.00 3.20 1.10
assi (resid 85 and name HG1# )   (resid 85 and name HD# )   2.22 0.42 0.52
assi (resid 85 a