*HEADER    TOXIN                                   17-JAN-00   1DU9              
*TITLE     SOLUTION STRUCTURE OF BMP02, A NATURAL SCORPION TOXIN WHICH           
*TITLE    2 BLOCKS APAMIN- SENSITIVE CALCIUM-ACTIVATED POTASSIUM                 
*TITLE    3 CHANNELS, 25 STRUCTURES                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BMP02 NEUROTOXIN;                                          
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUTHUS MARTENSII;                               
*SOURCE   3 ORGANISM_COMMON: CHINESE SCORPION;                                   
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    HELIX, SHEET                                                          
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    Y.Q.XU, J.H.WU, J.M.PEI, Y.Y.SHI, Y.H.JI, Q.C.TONG                    
*REVDAT   1   04-FEB-00 1DU9    0 

==== NOE ===
assign (resid   1 and name  ha ) (resid   1 and name hg* ) 0.00 0.00 3.20
assign (resid   1 and name  ha ) (resid   2 and name  hn ) 0.00 0.00 2.45
assign (resid   1 and name  hb ) (resid   2 and name  hn ) 0.00 0.00 3.30
assign (resid   1 and name hg1#) (resid   9 and name hd2 ) 0.00 0.00 5.50
assign (resid   1 and name hg2#) (resid   9 and name hd2 ) 0.00 0.00 5.50
assign (resid   2 and name  hn ) (resid   2 and name  ha#) 0.00 0.00 2.45
assign (resid   2 and name  ha#) (resid   3 and name  hn ) 0.00 0.00 2.50
assign (resid   3 and name  hn ) (resid   3 and name hb# ) 0.00 0.00 2.55
assign (resid   3 and name  hn ) (resid   3 and name hb1 ) 0.00 0.00 3.50
assign (resid   3 and name  hn ) (resid   3 and name hb2 ) 0.00 0.00 3.50
assign (resid   3 and name  hn ) (resid   4 and name  hn ) 0.00 0.00 2.93
assign (resid   3 and name  ha ) (resid   3 and name hb2 ) 0.00 0.00 3.01
assign (resid   3 and name  ha ) (resid   3 and name hb# ) 0.00 0.00 2.70
assign (resid   3 and name  ha ) (resid  6  and name hb# ) 0.00 0.00 4.00
assign (resid   3 and name hb2 ) (resid   4 and name  hn ) 0.00 0.00 3.84
assign (resid   3 and name hb1 ) (resid   4 and name  hn ) 0.00 0.00 3.84
assign (resid   4 and name  hn ) (resid   4 and name  hb#) 0.00 0.00 2.77
assign (resid   4 and name  hn ) (resid   4 and name  hg#) 0.00 0.00 3.98
assign (resid   4 and name  hn ) (resid   5 and name  hn ) 0.00 0.00 2.95
assign (resid   4 and name  ha ) (resid   4 and name hb# ) 0.00 0.00 2.54
assign (resid   4 and name  ha ) (resid   4 and name hg# ) 0.00 0.00 3.47
assign (resid   4 and name  ha ) (resid   5 and name  hn ) 0.00 0.00 3.09
assign (resid   4 and name hb# ) (resid   5 and name  hn ) 0.00 0.00 3.34
assign (resid   4 and name hb# ) (resid   5 and name hg# ) 0.00 0.00 4.50
assign (resid   5 and name  hn ) (resid   5 and name  ha ) 0.00 0.00 2.90
assign (resid   5 and name  hn ) (resid   5 and name hb2 ) 0.00 0.00 3.11
assign (resid   5 and name  hn ) (resid   5 and name hb1 ) 0.00 0.00 3.76
assign (resid   5 and name  hn ) (resid   5 and name hg# ) 0.00 0.00 3.46
assign (resid   5 and name  hn ) (resid   6 and name  hn ) 0.00 0.00 3.04
assign (resid   5 and name  ha ) (resid   5 and name hb2 ) 0.00 0.00 3.00
assign (resid   5 and name  ha ) (resid   5 and name hb1 ) 0.00 0.00 2.75
assign (resid   5 and name  ha ) (resid   5 and name hg# ) 0.00 0.00 3.02
assign (resid   5 and name  ha ) (resid   7 and name hd# ) 0.00 0.00 4.20
assign (resid   5 and name  ha ) (resid   8 and name hb# ) 0.00 0.00 5.00
assign (resid   5 and name hb1 ) (resid   5 and name hg# ) 0.00 0.00 2.68
assign (resid   5 and name hb2 ) (resid   5 and name hg# ) 0.00 0.00 2.65
assign (resid   6 and name  hn ) (resid   6 and name hb# ) 0.00 0.00 2.50
assign (resid   6 and name  hn ) (resid   7 and name hd1 ) 0.00 0.00 3.50
assign (resid   6 and name  hn ) (resid   7 and name hd2 ) 0.00 0.00 3.50
assign (resid   6 and name  ha ) (resid   7 and name hd2 ) 0.00 0.00 3.80
assign (resid   6 and name  ha ) (resid   7 and name hd1 ) 0.00 0.00 3.80
assign (resid   6 and name  ha ) (resid   7 and name hd# ) 0.00 0.00 3.30
assign (resid   6 and name  ha ) (resid   9 and name hb2 ) 0.00 0.00 4.50
assign (resid   6 and name  ha ) (resid   9 and name hb1 ) 0.00 0.00 4.50
assign (resid   6 and name  ha ) (resid  24 and name hb# ) 0.00 0.00 5.00
assign (resid   6 and name hb# ) (resid   7 and name hd1 ) 0.00 0.00 3.26
assign (resid   6 and name hb# ) (resid   7 and name hd2 ) 0.00 0.00 3.26
assign (resid   6 and name hb# ) (resid  17 and name hb# ) 0.00 0.00 5.00
assign (resid   8 and name  hn ) (resid   8 and name hb# ) 0.00 0.00 3.00
assign (resid   8 and name  hn ) (resid   8 and name he# ) 0.00 0.00 5.50
assign (resid   8 and name  hn ) (resid   9 and name  hn ) 0.00 0.00 2.83
assign (resid   8 and name  ha ) (resid   8 and name hb# ) 0.00 0.00 2.50
assign (resid   8 and name  ha ) (resid   8 and name hg2 ) 0.00 0.00 4.16
assign (resid   8 and name  ha ) (resid   8 and name hg1 ) 0.00 0.00 4.16
assign (resid   8 and name  hb#) (resid   9 and name  hn ) 0.00 0.00 3.10
assign (resid   8 and name  he#) (resid   9 and name hn )  0.00 0.00 5.00
assign (resid   8 and name hb#)  (resid   9 and name hd2 ) 0.00 0.00 5.00
assign (resid   9 and name  hn ) (resid   9 and name hb# ) 0.00 0.00 2.50
assign (resid   9 and name  hn ) (resid   9 and name hd2 ) 0.00 0.00 4.24
assign (resid   9 and name hb2 ) (resid   9 and name hd2 ) 0.00 0.00 3.55
assign (resid   9 and name hb1 ) (resid   9 and name hd2 ) 0.00 0.00 3.55
assign (resid   9 and name hd2 ) (resid  24 and name hb# ) 0.00 0.00 5.50
assign (resid  10 and name  hn ) (resid  10 and name hb1 ) 0.00 0.00 4.00
assign (resid  10 and name  hn ) (resid  10 and name hb2 ) 0.00 0.00 4.00
assign (resid  10 and name  ha ) (resid  10 and name hb# ) 0.00 0.00 2.60
assign (resid  10 and name  ha ) (resid  26 and name hb# ) 0.00 0.00 5.00
assign (resid  10 and name  hb#) (resid  15 and name hb# ) 0.00 0.00 4.00
assign (resid 10 and name hb# ) (resid 17 and (name hb# or name hg# )) 0.00 0.00 5.00
assign (resid  11 and name  hn ) (resid 8:11 and name ha ) 0.00 0.00 2.87
assign (resid  11 and name  hn ) (resid  11 and name hb# ) 0.00 0.00 3.56
assign (resid  11 and name  ha ) (resid  11 and name hb# ) 0.00 0.00 2.42
assign (resid  11 and name  ha ) (resid  12 and name hn  ) 0.00 0.00 2.40
assign (resid  11 and name  hb#) (resid  12 and name  hn ) 0.00 0.00 3.38
assign (resid  11 and name  hg#) (resid  12 and name  hn ) 0.00 0.00 5.00
assign (resid  12 and name  hn ) (resid  12 and name ha# ) 0.00 0.00 2.40
assign (resid  12 and name  hn ) (resid  13 and name  hn ) 0.00 0.00 3.30
assign (resid  12 and name  ha#) (resid  13 and name  hn ) 0.00 0.00 2.60
assign (resid  12 and name  ha#) (resid  14 and name  hn ) 0.00 0.00 5.00
assign (resid  13 and name  hn ) (resid  13 and name  ha ) 0.00 0.00 2.80
assign (resid  13 and name  hn ) (resid  13 and name hb# ) 0.00 0.00 2.76
assign (resid  13 and name  hn ) (resid  13 and name hb2 ) 0.00 0.00 3.60
assign (resid  13 and name  hn ) (resid  13 and name hb1 ) 0.00 0.00 3.60
assign (resid  13 and name  hn ) (resid  13 and name hg# ) 0.00 0.00 4.50
assign (resid 13 and (name hn or name ha)) (resid 14 and name hn) 0.00 0.00 2.52
assign (resid  13 and name  ha ) (resid  13 and name hg# ) 0.00 0.00 3.50
assign (resid  13 and name  ha ) (resid  15 and name  hn ) 0.00 0.00 4.10
assign (resid  13 and name hb# ) (resid  14 and name  hn ) 0.00 0.00 2.94
assign (resid  14 and name  hn ) (resid  14 and name  ha ) 0.00 0.00 2.80
assign (resid  14 and name  hn ) (resid  14 and name hb# ) 0.00 0.00 2.80
assign (resid  14 and name  hn ) (resid  15 and name  hn ) 0.00 0.00 2.79
assign (resid  14 and name  hn ) (resid  15 and name  ha ) 0.00 0.00 4.50
assign (resid  14 and name  hn ) (resid  15 and name hb# ) 0.00 0.00 5.50
assign (resid  14 and name  ha ) (resid  14 and name hb1 ) 0.00 0.00 3.01
assign (resid  14 and name  ha ) (resid  14 and name hb2 ) 0.00 0.00 3.01
assign (resid  14 and name  ha ) (resid  14 and name hb# ) 0.00 0.00 2.60
assign (resid  14 and name  ha ) (resid  15 and name  hn ) 0.00 0.00 2.81
assign (resid  14 and name hb# ) (resid  14 and name hd21) 0.00 0.00 3.10
assign (resid  14 and name hb# ) (resid  14 and name hd22 ) 0.00 0.00 3.73
assign (resid  15 and name  hn ) (resid  15 and name  ha ) 0.00 0.00 2.93
assign (resid  15 and name  hn ) (resid  15 and name hb# ) 0.00 0.00 3.00
assign (resid  15 and name  hn ) (resid  16 and name  hn ) 0.00 0.00 4.00
assign (resid  15 and name  ha ) (resid  16 and name  hn ) 0.00 0.00 2.30
assign (resid  15 and name  ha ) (resid  28 and name hg* ) 0.00 0.00 4.00
assign (resid  15 and name hb# ) (resid  16 and name  hn ) 0.00 0.00 3.50
assign (resid  15 and name hb# ) (resid  17 and name hd# ) 0.00 0.00 4.50
assign (resid  15 and name hb# ) (resid  26 and name hb# ) 0.00 0.00 4.50
assign (resid  15 and name hb# ) (resid  27 and name  hn ) 0.00 0.00 5.00
assign (resid  15 and name hb# ) (resid  28 and name  ha ) 0.00 0.00 5.00
assign (resid  15 and name hb# ) (resid  28 and name hg* ) 0.00 0.00 4.50
assign (resid  16 and name  hn ) (resid  16 and name hb2 ) 0.00 0.00 3.13
assign (resid  16 and name  hn ) (resid  16 and name hb1 ) 0.00 0.00 2.77
assign (resid  16 and name  hn ) (resid  16 and name hg# ) 0.00 0.00 4.00
assign (resid  16 and name  hn ) (resid  17 and name hd# ) 0.00 0.00 4.50
assign (resid  16 and name  hn ) (resid  27 and name  hn ) 0.00 0.00 3.36
assign (resid  16 and name  hn ) (resid  27 and name hb# ) 0.00 0.00 4.50
assign (resid  16 and name  hn ) (resid  28 and name  ha ) 0.00 0.00 5.04
assign (resid  16 and name  ha ) (resid  16 and name hb2 ) 0.00 0.00 2.90
assign (resid  16 and name  ha ) (resid  16 and name hb1 ) 0.00 0.00 3.00
assign (resid  16 and name  ha ) (resid  16 and name hg2 ) 0.00 0.00 3.99
assign (resid  16 and name  ha ) (resid  16 and name hg1 ) 0.00 0.00 3.99
assign (resid  16 and name  ha ) (resid  17 and name hg# ) 0.00 0.00 4.77
assign (resid  16 and name  ha ) (resid  17 and name hd# ) 0.00 0.00 2.40
assign (resid  16 and name hb2 ) (resid  17 and name hd# ) 0.00 0.00 3.51
assign (resid  16 and name hb1 ) (resid  17 and name hd# ) 0.00 0.00 4.14
assign (resid  17 and name  ha ) (resid  18 and name  hn ) 0.00 0.00 2.90
assign (resid  17 and name hb# ) (resid  17 and name hd# ) 0.00 0.00 3.30
assign (resid  17 and name hb2 ) (resid  18 and name  hn ) 0.00 0.00 3.80
assign (resid  17 and name hb1 ) (resid  18 and name  hn ) 0.00 0.00 3.80
assign (resid  18 and name  hn ) (resid  18 and name  ha ) 0.00 0.00 2.96
assign (resid  18 and name  hn ) (resid  18 and name  hb ) 0.00 0.00 3.32
assign (resid  18 and name  hn ) (resid  18 and name hg2#) 0.00 0.00 3.80
assign (resid  18 and name  hn ) (resid  25 and name  hn ) 0.00 0.00 3.23
assign (resid  18 and name  ha ) (resid  18 and name  hb ) 0.00 0.00 2.60
assign (resid  18 and name  ha ) (resid  18 and name hg2#) 0.00 0.00 3.00
assign (resid  18 and name  ha ) (resid  19 and name  hn ) 0.00 0.00 2.30
assign (resid  18 and name  ha ) (resid  19 and name  ha ) 0.00 0.00 5.06
assign (resid  18 and name  ha ) (resid 6:19 and name hb# ) 0.00 0.00 4.00
assign (resid  18 and name hg2#) (resid  19 and name  hn ) 0.00 0.00 3.50
assign (resid  18 and name hg2#) (resid  19 and name  ha ) 0.00 0.00 5.00
assign (resid  18 and name hg2#) (resid  27 and name  hn ) 0.00 0.00 5.00
assign (resid  18 and name hg2#) (resid  27 and name hd21 ) 0.00 0.00 5.00
assign (resid  18 and name hg2#) (resid  27 and name hd22 ) 0.00 0.00 5.00
assign (resid 19:20 and name  hn ) (resid  19 and name hb# ) 0.00 0.00 2.34
assign (resid  19 and name  ha ) (resid  19 and name hb# ) 0.00 0.00 2.45
assign (resid  19 and name  ha ) (resid  20 and name  hn ) 0.00 0.00 2.33
assign (resid  19 and name  ha ) (resid  24 and name  ha ) 0.00 0.00 2.62
assign (resid  20 and name  hn ) (resid  20 and name  ha ) 0.00 0.00 2.82
assign (resid  20 and name  hn ) (resid  20 and name hb2 ) 0.00 0.00 2.81
assign (resid  20 and name  hn ) (resid  20 and name hb1 ) 0.00 0.00 2.90
assign (resid  20 and name  hn ) (resid  21 and name  hn ) 0.00 0.00 4.00
assign (resid  20 and name  hn ) (resid  22 and name  hn ) 0.00 0.00 4.00
assign (resid  20 and name  hn ) (resid  23 and name  hn ) 0.00 0.00 2.98
assign (resid  20 and name  hn ) (resid  23 and name  hb ) 0.00 0.00 3.45
assign (resid  20 and name  hn ) (resid  24 and name  ha ) 0.00 0.00 4.32
assign (resid  20 and name  ha ) (resid  20 and name hb2 ) 0.00 0.00 2.74
assign (resid  20 and name  ha ) (resid  20 and name hb1 ) 0.00 0.00 2.97
assign (resid  20 and name  ha ) (resid  21 and name  hn ) 0.00 0.00 2.50
assign (resid  21 and name  hn ) (resid  21 and name  ha ) 0.00 0.00 2.31
assign (resid  21 and name  hn ) (resid  21 and name hb2 ) 0.00 0.00 3.57
assign (resid  21 and name  hn ) (resid  22 and name  hn ) 0.00 0.00 3.05
assign (resid  21 and name  ha ) (resid  21 and name hb1 ) 0.00 0.00 2.81
assign (resid  21 and name  ha ) (resid  22 and name  hn ) 0.00 0.00 2.63
assign (resid  21 and name  hb2) (resid  23 and name  hn ) 0.00 0.00 5.00
assign (resid  22 and name  hn ) (resid  22 and name ha1 ) 0.00 0.00 2.65
assign (resid  22 and name  hn ) (resid  23 and name  hn ) 0.00 0.00 2.67
assign (resid  22 and name ha2 ) (resid  23 and name  hn ) 0.00 0.00 3.37
assign (resid  22 and name ha1 ) (resid  23 and name hg* ) 0.00 0.00 4.00
assign (resid  23 and name  hn ) (resid  23 and name  hb ) 0.00 0.00 2.65
assign (resid  23 and name  hn ) (resid  23 and name hg* ) 0.00 0.00 3.50
assign (resid  23 and name  ha ) (resid  24 and name  hn ) 0.00 0.00 2.30
assign (resid  23 and name hg* ) (resid  25 and name hd22 ) 0.00 0.00 5.00
assign (resid  24 and name  hn ) (resid  24 and name hb# ) 0.00 0.00 2.70
assign (resid  24 and name  ha ) (resid  25 and name  hn ) 0.00 0.00 2.80
assign (resid  25 and name  hn ) (resid  25 and name hb# ) 0.00 0.00 3.40
assign (resid  25 and name  hn ) (resid  26 and name hn  ) 0.00 0.00 4.00
assign (resid  25 and name  ha ) (resid  25 and name hb2 ) 0.00 0.00 2.80
assign (resid  25 and name  ha ) (resid  25 and name hb1 ) 0.00 0.00 2.80
assign (resid  25 and name  ha ) (resid  26 and name  hn ) 0.00 0.00 2.31
assign (resid  25 and name hb2 ) (resid  25 and name hd21 ) 0.00 0.00 3.55
assign (resid  25 and name hb1 ) (resid  25 and name hd21 ) 0.00 0.00 3.55
assign (resid  25 and name hb# ) (resid  25 and name hd21 ) 0.00 0.00 2.92
assign (resid  25 and name hb# ) (resid  25 and name hd22 ) 0.00 0.00 3.53
assign (resid  25 and name hb# ) (resid  26 and name  hn ) 0.00 0.00 3.44
assign (resid  26 and name  hn ) (resid  26 and name hb2 ) 0.00 0.00 4.00
assign (resid  26 and name  ha ) (resid  27 and name  hn ) 0.00 0.00 3.00
assign (resid  26 and name  ha ) (resid  26 and name hb1 ) 0.00 0.00 2.80
assign (resid  26 and name hb2 ) (resid  27 and name  hn ) 0.00 0.00 3.90
assign (resid  27 and name  hn ) (resid  27 and name hb# ) 0.00 0.00 2.80
assign (resid  27 and name  hn ) (resid  28 and name  hn ) 0.00 0.00 3.21
assign (resid  27 and name  ha ) (resid  28 and name  hn ) 0.00 0.00 3.41
assign (resid  27 and name hb# ) (resid  28 and name  hn ) 0.00 0.00 3.29
assign (resid  27 and name hb# ) (resid  27 and name hd22) 0.00 0.00 3.34
assign (resid  28 and name  hn ) (resid  28 and name  hb ) 0.00 0.00 3.40
assign (resid  28 and name  hn ) (resid  28 and name hg* ) 0.00 0.00 4.00
=== HBOND ===
assign (resid  18 and name  hn ) (resid  25 and name   o ) 1.80 0.00 0.20
assign (resid  18 and name   n ) (resid  25 and name   o ) 2.70 0.00 0.30
assign (resid  20 and name  hn ) (resid  23 and name   o ) 1.80 0.00 0.30
assign (resid  20 and name   n ) (resid  23 and name   o ) 2.70 0.00 0.40
assign (resid  20 and name   o ) (resid  23 and name  hn ) 1.80 0.00 0.20
assign (resid  20 and name   o ) (resid  23 and name   n ) 2.70 0.00 0.30
assign (resid  16 and name  hn ) (resid  28 and name  ot#) 1.50 0.00 0.60
assign (resid  16 and name   n ) (resid  28 and name  ot#) 2.40 0.00 0.70
=== CDIH ===
  assign (resid 3 and name c) (resid 4 and name n)
         (resid 4 and name ca) (resid 4 and name c)     1.0  -65.0 35.0 2
  assign (resid 5 and name c) (resid 6 and name n)
  (resid 6 and name ca) (resid 6 and name c) 1.0  -65.0 35.0 2
  assign (resid 8 and name c) (resid 9 and name n)
  (resid 9 and name ca) (resid 9 and name c) 1.0  -65.0 35.0 2
  assign (resid 13 and name c) (resid 14 and name n)
  (resid 14 and name ca) (resid 14 and name c) 1.0  -120.0 45.0 2
  assign (resid 15 and name c) (resid 16 and name n)
         (resid 16 and name ca) (resid 16 and name c)   1.0  -120.0 35.0 2
  assign (resid 17 and name c) (resid 18 and name n)
  (resid 18 and name ca) (resid 18 and name c) 1.0  -120.0 35.0 2
  assign (resid 18 and name c) (resid 19 and name n)
  (resid 19 and name ca) (resid 19 and name c) 1.0  -120.0 35.0 2
  assign (resid 19 and name c) (resid 20 and name n)
  (resid 20 and name ca) (resid 20 and name c) 1.0  -120.0 35.0 2
  assign (resid 22 and name c) (resid 23 and name n)
  (resid 23 and name ca) (resid 23 and name c) 1.0  -120.0 35.0 2
  assign (resid 24 and name c) (resid 25 and name n)
         (resid 25 and name ca) (resid 25 and name c)   1.0  -120.0 40.0 2
  assign (resid 25 and name c) (resid 26 and name n)
  (resid 26 and name ca) (resid 26 and name c) 1.0  -120.0 45.0 2
  assign (resid 26 and name c) (resid 27 and name n)
  (resid 27 and name ca) (resid 27 and name c) 1.0  -120.0 45.0 2
  assign (resid 27 and name c) (resid 28 and name n)
  (resid 28 and name ca) (resid 28 and name c) 1.0  -120.0 50.0 2
                                               

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1           HT1      VAL   1  -9.443   1.620   2.016
    2   2H    VAL   1           HT2      VAL   1  -9.360   2.333   0.457
    3   3H    VAL   1           HT3      VAL   1  -9.676   3.309   1.834
    4    HA   VAL   1           HA       VAL   1  -7.496   2.633   2.707
    5    HB   VAL   1           HB       VAL   1  -6.847   1.874  -0.127
    6   1HG1  VAL   1          1HG1      VAL   1  -5.457   1.983   2.459
    7   2HG1  VAL   1          2HG1      VAL   1  -4.827   2.149   0.820
    8   3HG1  VAL   1          3HG1      VAL   1  -5.130   0.546   1.491
    9   1HG2  VAL   1          1HG2      VAL   1  -6.981  -0.484   0.493
   10   2HG2  VAL   1          2HG2      VAL   1  -8.557   0.295   0.631
   11   3HG2  VAL   1          3HG2      VAL   1  -7.609  -0.039   2.080
   12    H    GLY   2           HN       GLY   2  -5.574   3.951   2.117
   13   1HA   GLY   2           HA2      GLY   2  -6.013   6.001   0.101
   14   2HA   GLY   2           HA1      GLY   2  -6.000   6.556   1.768
   15    H    CYS   3           HN       CYS   3  -4.182   7.678   0.215
   16    HA   CYS   3           HA       CYS   3  -1.723   6.263   0.020
   17   1HB   CYS   3           HB2      CYS   3  -2.734   8.719  -0.887
   18   2HB   CYS   3           HB1      CYS   3  -1.370   9.132   0.147
   19    H    GLU   4           HN       GLU   4  -3.238   8.176   2.503
   20    HA   GLU   4           HA       GLU   4  -0.785   8.201   4.089
   21   1HB   GLU   4           HB2      GLU   4  -3.444   9.564   4.433
   22   2HB   GLU   4           HB1      GLU   4  -2.180   9.616   5.654
   23   1HG   GLU   4           HG2      GLU   4  -0.845  10.996   4.419
   24   2HG   GLU   4           HG1      GLU   4  -1.494  10.429   2.881
   25    H    GLU   5           HN       GLU   5  -3.113   6.078   3.564
   26    HA   GLU   5           HA       GLU   5  -2.914   4.968   6.263
   27   1HB   GLU   5           HB2      GLU   5  -5.423   5.435   4.684
   28   2HB   GLU   5           HB1      GLU   5  -5.341   4.137   5.867
   29   1HG   GLU   5           HG2      GLU   5  -4.465   6.074   7.422
   30   2HG   GLU   5           HG1      GLU   5  -5.342   7.077   6.269
   31    H    CYS   6           HN       CYS   6  -1.693   4.436   3.549
   32    HA   CYS   6           HA       CYS   6  -2.736   1.881   2.784
   33   1HB   CYS   6           HB2      CYS   6  -1.265   3.796   1.483
   34   2HB   CYS   6           HB1      CYS   6  -0.073   2.537   1.785
   35    HA   PRO   7           HA       PRO   7   1.715   0.648   4.642
   36   1HB   PRO   7           HB2      PRO   7   1.515   2.662   6.834
   37   2HB   PRO   7           HB1      PRO   7   2.945   2.048   5.997
   38   1HG   PRO   7           HG2      PRO   7   1.951   4.470   5.449
   39   2HG   PRO   7           HG1      PRO   7   2.649   3.446   4.181
   40   1HD   PRO   7           HD2      PRO   7  -0.204   4.080   4.740
   41   2HD   PRO   7           HD1      PRO   7   0.588   3.707   3.202
   42    H    MET   8           HN       MET   8  -0.977   1.908   6.572
   43    HA   MET   8           HA       MET   8  -0.742   0.020   8.673
   44   1HB   MET   8           HB2      MET   8  -2.798   1.987   7.792
   45   2HB   MET   8           HB1      MET   8  -3.296   0.724   8.908
   46   1HG   MET   8           HG2      MET   8  -1.322   1.437  10.343
   47   2HG   MET   8           HG1      MET   8  -1.239   2.865   9.314
   48   1HE   MET   8           HE1      MET   8  -4.835   1.229  10.287
   49   2HE   MET   8           HE2      MET   8  -4.794   1.706  11.984
   50   3HE   MET   8           HE3      MET   8  -3.556   0.627  11.341
   51    H    HIS   9           HN       HIS   9  -2.947   0.201   5.881
   52    HA   HIS   9           HA       HIS   9  -4.341  -2.165   6.374
   53   1HB   HIS   9           HB2      HIS   9  -3.975  -0.342   4.105
   54   2HB   HIS   9           HB1      HIS   9  -4.331  -2.000   3.632
   55    HD1  HIS   9           HD1      HIS   9  -6.373  -2.815   5.713
   56    HD2  HIS   9           HD2      HIS   9  -6.364   0.909   3.873
   57    HE1  HIS   9           HE1      HIS   9  -8.728  -1.959   5.918
   58    HE2  HIS   9           HE2      HIS   9  -8.718   0.260   4.725
   59    H    CYS  10           HN       CYS  10  -2.103  -1.894   3.631
   60    HA   CYS  10           HA       CYS  10  -1.500  -4.711   3.824
   61   1HB   CYS  10           HB2      CYS  10  -1.781  -3.241   1.678
   62   2HB   CYS  10           HB1      CYS  10  -0.090  -2.837   1.955
   63    H    LYS  11           HN       LYS  11  -0.039  -5.426   5.219
   64    HA   LYS  11           HA       LYS  11   2.535  -4.047   5.400
   65   1HB   LYS  11           HB2      LYS  11   2.477  -4.506   7.917
   66   2HB   LYS  11           HB1      LYS  11   1.516  -3.160   7.321
   67   1HG   LYS  11           HG2      LYS  11  -0.462  -4.177   7.791
   68   2HG   LYS  11           HG1      LYS  11   0.187  -5.800   7.546
   69   1HD   LYS  11           HD2      LYS  11   0.952  -4.057   9.879
   70   2HD   LYS  11           HD1      LYS  11  -0.398  -5.192   9.928
   71   1HE   LYS  11           HE2      LYS  11   1.572  -6.784   8.971
   72   2HE   LYS  11           HE1      LYS  11   2.502  -5.688   9.992
   73   1HZ   LYS  11           HZ1      LYS  11   1.922  -7.265  11.505
   74   2HZ   LYS  11           HZ2      LYS  11   0.460  -7.645  10.744
   75   3HZ   LYS  11           HZ3      LYS  11   0.587  -6.239  11.675
   76    H    GLY  12           HN       GLY  12   4.017  -5.494   4.854
   77   1HA   GLY  12           HA2      GLY  12   3.838  -8.192   5.999
   78   2HA   GLY  12           HA1      GLY  12   4.037  -8.015   4.263
   79    H    LYS  13           HN       LYS  13   6.034  -7.692   3.440
   80    HA   LYS  13           HA       LYS  13   8.194  -6.739   5.060
   81   1HB   LYS  13           HB2      LYS  13   7.729  -9.447   5.155
   82   2HB   LYS  13           HB1      LYS  13   8.947  -9.314   3.895
   83   1HG   LYS  13           HG2      LYS  13  10.157  -9.637   5.865
   84   2HG   LYS  13           HG1      LYS  13  10.273  -7.904   5.549
   85   1HD   LYS  13           HD2      LYS  13   8.498  -7.474   7.158
   86   2HD   LYS  13           HD1      LYS  13   8.317  -9.206   7.443
   87   1HE   LYS  13           HE2      LYS  13   9.664  -8.650   9.205
   88   2HE   LYS  13           HE1      LYS  13  10.886  -9.041   7.996
   89   1HZ   LYS  13           HZ1      LYS  13   9.927  -6.274   8.207
   90   2HZ   LYS  13           HZ2      LYS  13  11.437  -6.853   7.712
   91   3HZ   LYS  13           HZ3      LYS  13  11.033  -6.844   9.354
   92    H    ASN  14           HN       ASN  14   7.196  -8.249   2.033
   93    HA   ASN  14           HA       ASN  14   9.084  -6.516   0.642
   94   1HB   ASN  14           HB2      ASN  14   8.344  -9.376   0.046
   95   2HB   ASN  14           HB1      ASN  14   9.080  -8.328  -1.163
   96   1HD2  ASN  14          1HD2      ASN  14   9.665 -10.532   1.241
   97   2HD2  ASN  14          2HD2      ASN  14  11.342 -10.212   1.505
   98    H    ALA  15           HN       ALA  15   6.406  -5.959   1.403
   99    HA   ALA  15           HA       ALA  15   5.110  -5.847  -1.235
  100   1HB   ALA  15           HB1      ALA  15   3.539  -7.058  -0.151
  101   2HB   ALA  15           HB2      ALA  15   3.025  -5.465   0.402
  102   3HB   ALA  15           HB3      ALA  15   4.032  -6.475   1.439
  103    H    LYS  16           HN       LYS  16   5.724  -3.856  -1.945
  104    HA   LYS  16           HA       LYS  16   5.565  -1.575  -0.147
  105   1HB   LYS  16           HB2      LYS  16   7.511  -1.573  -1.492
  106   2HB   LYS  16           HB1      LYS  16   6.599  -1.928  -2.952
  107   1HG   LYS  16           HG2      LYS  16   6.224   0.228  -3.361
  108   2HG   LYS  16           HG1      LYS  16   5.758   0.550  -1.691
  109   1HD   LYS  16           HD2      LYS  16   7.925   1.040  -1.044
  110   2HD   LYS  16           HD1      LYS  16   8.637   0.123  -2.374
  111   1HE   LYS  16           HE2      LYS  16   7.265   2.016  -3.739
  112   2HE   LYS  16           HE1      LYS  16   7.691   2.910  -2.280
  113   1HZ   LYS  16           HZ1      LYS  16   9.502   3.281  -3.616
  114   2HZ   LYS  16           HZ2      LYS  16   9.455   1.746  -4.324
  115   3HZ   LYS  16           HZ3      LYS  16  10.031   1.930  -2.745
  116    HA   PRO  17           HA       PRO  17   1.513  -0.547  -1.687
  117   1HB   PRO  17           HB2      PRO  17   1.133   1.711  -0.298
  118   2HB   PRO  17           HB1      PRO  17   1.158   0.132   0.499
  119   1HG   PRO  17           HG2      PRO  17   3.314   2.201   0.324
  120   2HG   PRO  17           HG1      PRO  17   2.815   1.220   1.714
  121   1HD   PRO  17           HD2      PRO  17   4.980   0.644   0.121
  122   2HD   PRO  17           HD1      PRO  17   4.083  -0.567   1.057
  123    H    THR  18           HN       THR  18   0.571   0.836  -3.177
  124    HA   THR  18           HA       THR  18   2.151   3.097  -4.140
  125    HB   THR  18           HB       THR  18   2.628   1.070  -5.537
  126    HG1  THR  18           HG1      THR  18   3.011   2.598  -6.902
  127   1HG2  THR  18          1HG2      THR  18  -0.176   0.859  -5.545
  128   2HG2  THR  18          2HG2      THR  18   1.008  -0.182  -6.334
  129   3HG2  THR  18          3HG2      THR  18   0.342   1.208  -7.192
  130    H    CYS  19           HN       CYS  19   0.955   4.701  -5.277
  131    HA   CYS  19           HA       CYS  19  -1.946   4.542  -4.782
  132   1HB   CYS  19           HB2      CYS  19   0.013   6.776  -4.454
  133   2HB   CYS  19           HB1      CYS  19  -1.658   7.157  -4.859
  134    H    ASP  20           HN       ASP  20  -3.115   4.409  -6.566
  135    HA   ASP  20           HA       ASP  20  -2.218   5.812  -8.963
  136   1HB   ASP  20           HB2      ASP  20  -1.994   3.198  -8.871
  137   2HB   ASP  20           HB1      ASP  20  -3.725   3.244  -9.179
  138    H    ASP  21           HN       ASP  21  -3.621   7.472  -9.084
  139    HA   ASP  21           HA       ASP  21  -5.572   8.649  -9.135
  140   1HB   ASP  21           HB2      ASP  21  -6.325   6.023 -10.389
  141   2HB   ASP  21           HB1      ASP  21  -7.525   7.296 -10.190
  142    H    GLY  22           HN       GLY  22  -5.076   7.921  -6.635
  143   1HA   GLY  22           HA2      GLY  22  -6.075   7.780  -4.592
  144   2HA   GLY  22           HA1      GLY  22  -7.606   7.898  -5.432
  145    H    VAL  23           HN       VAL  23  -5.592   5.347  -6.478
  146    HA   VAL  23           HA       VAL  23  -7.210   3.432  -4.929
  147    HB   VAL  23           HB       VAL  23  -5.910   2.955  -7.612
  148   1HG1  VAL  23          1HG1      VAL  23  -7.109   0.903  -7.664
  149   2HG1  VAL  23          2HG1      VAL  23  -8.022   1.326  -6.216
  150   3HG1  VAL  23          3HG1      VAL  23  -6.296   0.984  -6.100
  151   1HG2  VAL  23          1HG2      VAL  23  -8.857   3.276  -7.149
  152   2HG2  VAL  23          2HG2      VAL  23  -7.963   3.324  -8.668
  153   3HG2  VAL  23          3HG2      VAL  23  -7.825   4.657  -7.522
  154    H    CYS  24           HN       CYS  24  -5.944   2.875  -3.242
  155    HA   CYS  24           HA       CYS  24  -3.109   2.633  -3.411
  156   1HB   CYS  24           HB2      CYS  24  -5.088   2.633  -1.355
  157   2HB   CYS  24           HB1      CYS  24  -4.098   1.191  -1.159
  158    H    ASN  25           HN       ASN  25  -1.829   0.821  -3.536
  159    HA   ASN  25           HA       ASN  25  -2.937  -1.820  -3.534
  160   1HB   ASN  25           HB2      ASN  25  -2.753  -0.409  -6.012
  161   2HB   ASN  25           HB1      ASN  25  -1.621  -1.756  -6.028
  162   1HD2  ASN  25          1HD2      ASN  25  -4.227  -1.214  -7.410
  163   2HD2  ASN  25          2HD2      ASN  25  -5.181  -2.621  -7.100
  164    H    CYS  26           HN       CYS  26  -1.467  -3.110  -2.687
  165    HA   CYS  26           HA       CYS  26   1.338  -2.258  -2.694
  166   1HB   CYS  26           HB2      CYS  26   1.582  -3.963  -0.861
  167   2HB   CYS  26           HB1      CYS  26   0.493  -2.632  -0.484
  168    H    ASN  27           HN       ASN  27   2.897  -3.387  -3.700
  169    HA   ASN  27           HA       ASN  27   2.216  -6.038  -4.769
  170   1HB   ASN  27           HB2      ASN  27   3.514  -3.731  -6.201
  171   2HB   ASN  27           HB1      ASN  27   3.660  -5.391  -6.773
  172   1HD2  ASN  27          1HD2      ASN  27   2.048  -2.649  -7.274
  173   2HD2  ASN  27          2HD2      ASN  27   0.543  -3.265  -7.859
  174    H    VAL  28           HN       VAL  28   5.169  -4.197  -5.183
  175    HA   VAL  28           HA       VAL  28   6.565  -5.936  -3.289
  176    HB   VAL  28           HB       VAL  28   7.607  -5.484  -6.085
  177   1HG1  VAL  28          1HG1      VAL  28   9.336  -5.834  -4.416
  178   2HG1  VAL  28          2HG1      VAL  28   9.213  -7.239  -5.475
  179   3HG1  VAL  28          3HG1      VAL  28   8.523  -7.294  -3.853
  180   1HG2  VAL  28          1HG2      VAL  28   6.081  -7.795  -4.916
  181   2HG2  VAL  28          2HG2      VAL  28   7.127  -7.971  -6.325
  182   3HG2  VAL  28          3HG2      VAL  28   5.739  -6.885  -6.387
  Start of MODEL    2
    1   1H    VAL   1           HT1      VAL   1  -8.706   2.651   4.795
    2   2H    VAL   1           HT2      VAL   1  -8.375   4.079   5.687
    3   3H    VAL   1           HT3      VAL   1  -7.100   3.241   4.901
    4    HA   VAL   1           HA       VAL   1  -8.204   3.671   2.781
    5    HB   VAL   1           HB       VAL   1  -9.763   5.786   4.238
    6   1HG1  VAL   1          1HG1      VAL   1 -11.174   5.199   2.041
    7   2HG1  VAL   1          2HG1      VAL   1  -9.567   4.732   1.484
    8   3HG1  VAL   1          3HG1      VAL   1  -9.860   6.375   2.055
    9   1HG2  VAL   1          1HG2      VAL   1 -10.835   3.070   3.480
   10   2HG2  VAL   1          2HG2      VAL   1 -11.729   4.392   4.230
   11   3HG2  VAL   1          3HG2      VAL   1 -10.449   3.573   5.125
   12    H    GLY   2           HN       GLY   2  -7.739   5.727   1.621
   13   1HA   GLY   2           HA2      GLY   2  -6.707   7.863   1.525
   14   2HA   GLY   2           HA1      GLY   2  -6.059   7.593   3.135
   15    H    CYS   3           HN       CYS   3  -4.733   8.421   0.626
   16    HA   CYS   3           HA       CYS   3  -3.084   6.185  -0.149
   17   1HB   CYS   3           HB2      CYS   3  -3.561   8.908  -1.084
   18   2HB   CYS   3           HB1      CYS   3  -1.857   8.470  -1.127
   19    H    GLU   4           HN       GLU   4  -2.931   8.807   2.121
   20    HA   GLU   4           HA       GLU   4  -0.088   8.519   2.560
   21   1HB   GLU   4           HB2      GLU   4  -1.585  10.667   2.759
   22   2HB   GLU   4           HB1      GLU   4  -1.876  10.059   4.382
   23   1HG   GLU   4           HG2      GLU   4   0.266  10.439   5.065
   24   2HG   GLU   4           HG1      GLU   4   0.933  10.257   3.443
   25    H    GLU   5           HN       GLU   5  -2.562   6.659   3.358
   26    HA   GLU   5           HA       GLU   5  -1.363   5.852   5.914
   27   1HB   GLU   5           HB2      GLU   5  -4.260   6.055   5.145
   28   2HB   GLU   5           HB1      GLU   5  -3.739   4.972   6.428
   29   1HG   GLU   5           HG2      GLU   5  -3.089   7.903   6.410
   30   2HG   GLU   5           HG1      GLU   5  -4.555   7.247   7.138
   31    H    CYS   6           HN       CYS   6  -0.849   4.936   3.159
   32    HA   CYS   6           HA       CYS   6  -2.043   2.354   2.914
   33   1HB   CYS   6           HB2      CYS   6  -0.794   4.058   1.163
   34   2HB   CYS   6           HB1      CYS   6   0.403   2.785   1.380
   35    HA   PRO   7           HA       PRO   7   2.667   1.158   4.043
   36   1HB   PRO   7           HB2      PRO   7   2.847   3.375   6.037
   37   2HB   PRO   7           HB1      PRO   7   4.120   2.638   5.058
   38   1HG   PRO   7           HG2      PRO   7   3.092   5.017   4.413
   39   2HG   PRO   7           HG1      PRO   7   3.549   3.842   3.166
   40   1HD   PRO   7           HD2      PRO   7   0.843   4.637   4.111
   41   2HD   PRO   7           HD1      PRO   7   1.357   4.069   2.515
   42    H    MET   8           HN       MET   8   0.149   2.469   6.105
   43    HA   MET   8           HA       MET   8   0.762   0.576   8.235
   44   1HB   MET   8           HB2      MET   8  -0.078   3.101   8.409
   45   2HB   MET   8           HB1      MET   8  -1.651   2.318   8.333
   46   1HG   MET   8           HG2      MET   8  -1.121   0.986  10.278
   47   2HG   MET   8           HG1      MET   8   0.505   1.664  10.328
   48   1HE   MET   8           HE1      MET   8  -2.899   2.392  12.459
   49   2HE   MET   8           HE2      MET   8  -3.040   1.843  10.789
   50   3HE   MET   8           HE3      MET   8  -3.483   3.496  11.214
   51    H    HIS   9           HN       HIS   9  -1.596   1.132   5.711
   52    HA   HIS   9           HA       HIS   9  -3.170  -1.170   6.612
   53   1HB   HIS   9           HB2      HIS   9  -3.775   0.815   4.411
   54   2HB   HIS   9           HB1      HIS   9  -4.869  -0.415   5.036
   55    HD1  HIS   9           HD1      HIS   9  -4.366   0.111   8.077
   56    HD2  HIS   9           HD2      HIS   9  -5.140   3.041   5.233
   57    HE1  HIS   9           HE1      HIS   9  -5.294   2.065   9.360
   58    HE2  HIS   9           HE2      HIS   9  -5.838   3.792   7.608
   59    H    CYS  10           HN       CYS  10  -1.142  -2.419   5.919
   60    HA   CYS  10           HA       CYS  10  -1.726  -3.868   3.593
   61   1HB   CYS  10           HB2      CYS  10  -0.439  -1.484   2.980
   62   2HB   CYS  10           HB1      CYS  10   0.858  -2.673   2.967
   63    H    LYS  11           HN       LYS  11  -0.976  -5.833   3.986
   64    HA   LYS  11           HA       LYS  11   1.185  -6.176   5.916
   65   1HB   LYS  11           HB2      LYS  11  -1.063  -7.437   5.968
   66   2HB   LYS  11           HB1      LYS  11  -0.401  -8.395   4.651
   67   1HG   LYS  11           HG2      LYS  11   1.587  -8.360   6.613
   68   2HG   LYS  11           HG1      LYS  11   0.068  -8.595   7.480
   69   1HD   LYS  11           HD2      LYS  11  -0.427 -10.378   5.685
   70   2HD   LYS  11           HD1      LYS  11   1.302 -10.297   5.340
   71   1HE   LYS  11           HE2      LYS  11   1.042 -12.058   6.885
   72   2HE   LYS  11           HE1      LYS  11   1.674 -10.699   7.812
   73   1HZ   LYS  11           HZ1      LYS  11  -0.931 -11.987   7.946
   74   2HZ   LYS  11           HZ2      LYS  11  -0.926 -10.304   8.117
   75   3HZ   LYS  11           HZ3      LYS  11  -0.015 -11.263   9.172
   76    H    GLY  12           HN       GLY  12   3.003  -7.539   5.491
   77   1HA   GLY  12           HA2      GLY  12   3.996  -9.015   3.684
   78   2HA   GLY  12           HA1      GLY  12   3.660  -7.659   2.618
   79    H    LYS  13           HN       LYS  13   5.876  -9.068   4.741
   80    HA   LYS  13           HA       LYS  13   7.351  -6.894   5.670
   81   1HB   LYS  13           HB2      LYS  13   8.328  -9.640   4.868
   82   2HB   LYS  13           HB1      LYS  13   9.249  -8.482   5.819
   83   1HG   LYS  13           HG2      LYS  13   6.582  -9.094   6.875
   84   2HG   LYS  13           HG1      LYS  13   7.709 -10.452   6.854
   85   1HD   LYS  13           HD2      LYS  13   9.078  -9.515   8.406
   86   2HD   LYS  13           HD1      LYS  13   8.753  -7.870   7.855
   87   1HE   LYS  13           HE2      LYS  13   7.012  -7.605   9.263
   88   2HE   LYS  13           HE1      LYS  13   6.463  -9.268   9.061
   89   1HZ   LYS  13           HZ1      LYS  13   7.184  -9.042  11.282
   90   2HZ   LYS  13           HZ2      LYS  13   8.626  -8.282  10.830
   91   3HZ   LYS  13           HZ3      LYS  13   8.394  -9.922  10.491
   92    H    ASN  14           HN       ASN  14   7.055  -8.199   2.511
   93    HA   ASN  14           HA       ASN  14   9.058  -6.311   1.551
   94   1HB   ASN  14           HB2      ASN  14   8.811  -9.215   0.963
   95   2HB   ASN  14           HB1      ASN  14   9.260  -8.156  -0.371
   96   1HD2  ASN  14          1HD2      ASN  14  11.321  -7.635  -0.584
   97   2HD2  ASN  14          2HD2      ASN  14  12.548  -7.866   0.611
   98    H    ALA  15           HN       ALA  15   6.278  -5.916   1.830
   99    HA   ALA  15           HA       ALA  15   5.438  -5.798  -0.985
  100   1HB   ALA  15           HB1      ALA  15   4.123  -7.256   0.735
  101   2HB   ALA  15           HB2      ALA  15   3.253  -6.257  -0.428
  102   3HB   ALA  15           HB3      ALA  15   3.449  -5.705   1.236
  103    H    LYS  16           HN       LYS  16   6.019  -3.767  -1.561
  104    HA   LYS  16           HA       LYS  16   5.591  -1.539   0.232
  105   1HB   LYS  16           HB2      LYS  16   7.588  -1.428  -1.044
  106   2HB   LYS  16           HB1      LYS  16   6.737  -1.762  -2.545
  107   1HG   LYS  16           HG2      LYS  16   6.320   0.394  -2.891
  108   2HG   LYS  16           HG1      LYS  16   5.734   0.623  -1.243
  109   1HD   LYS  16           HD2      LYS  16   7.814   1.213  -0.444
  110   2HD   LYS  16           HD1      LYS  16   8.667   0.344  -1.722
  111   1HE   LYS  16           HE2      LYS  16   7.435   2.152  -3.231
  112   2HE   LYS  16           HE1      LYS  16   7.487   3.068  -1.725
  113   1HZ   LYS  16           HZ1      LYS  16   9.968   2.320  -1.757
  114   2HZ   LYS  16           HZ2      LYS  16   9.468   3.650  -2.675
  115   3HZ   LYS  16           HZ3      LYS  16   9.701   2.149  -3.419
  116    HA   PRO  17           HA       PRO  17   1.525  -0.719  -1.385
  117   1HB   PRO  17           HB2      PRO  17   1.059   1.589  -0.081
  118   2HB   PRO  17           HB1      PRO  17   1.063   0.027   0.746
  119   1HG   PRO  17           HG2      PRO  17   3.209   2.109   0.615
  120   2HG   PRO  17           HG1      PRO  17   2.659   1.156   2.005
  121   1HD   PRO  17           HD2      PRO  17   4.897   0.554   0.560
  122   2HD   PRO  17           HD1      PRO  17   3.929  -0.662   1.417
  123    H    THR  18           HN       THR  18   0.616   0.463  -3.009
  124    HA   THR  18           HA       THR  18   2.035   2.827  -3.981
  125    HB   THR  18           HB       THR  18   2.756   0.815  -5.281
  126    HG1  THR  18           HG1      THR  18   3.037   2.511  -6.516
  127   1HG2  THR  18          1HG2      THR  18   0.711   0.528  -7.095
  128   2HG2  THR  18          2HG2      THR  18  -0.093   0.482  -5.528
  129   3HG2  THR  18          3HG2      THR  18   1.215  -0.646  -5.880
  130    H    CYS  19           HN       CYS  19   0.759   4.275  -5.239
  131    HA   CYS  19           HA       CYS  19  -2.114   3.983  -4.685
  132   1HB   CYS  19           HB2      CYS  19  -0.337   6.387  -5.031
  133   2HB   CYS  19           HB1      CYS  19  -2.086   6.518  -5.185
  134    H    ASP  20           HN       ASP  20  -3.442   3.602  -6.324
  135    HA   ASP  20           HA       ASP  20  -2.652   4.422  -9.014
  136   1HB   ASP  20           HB2      ASP  20  -2.550   1.877  -8.380
  137   2HB   ASP  20           HB1      ASP  20  -4.295   1.966  -8.586
  138    H    ASP  21           HN       ASP  21  -3.972   6.120  -9.379
  139    HA   ASP  21           HA       ASP  21  -5.864   7.380  -9.561
  140   1HB   ASP  21           HB2      ASP  21  -7.190   4.691  -9.979
  141   2HB   ASP  21           HB1      ASP  21  -7.808   6.255 -10.501
  142    H    GLY  22           HN       GLY  22  -5.229   7.137  -7.001
  143   1HA   GLY  22           HA2      GLY  22  -6.076   7.439  -4.908
  144   2HA   GLY  22           HA1      GLY  22  -7.654   7.520  -5.661
  145    H    VAL  23           HN       VAL  23  -5.862   4.672  -6.294
  146    HA   VAL  23           HA       VAL  23  -7.464   3.213  -4.295
  147    HB   VAL  23           HB       VAL  23  -6.527   2.170  -6.968
  148   1HG1  VAL  23          1HG1      VAL  23  -8.735   0.848  -5.559
  149   2HG1  VAL  23          2HG1      VAL  23  -7.173   0.741  -4.746
  150   3HG1  VAL  23          3HG1      VAL  23  -7.348   0.157  -6.401
  151   1HG2  VAL  23          1HG2      VAL  23  -9.406   2.515  -6.490
  152   2HG2  VAL  23          2HG2      VAL  23  -8.451   2.813  -7.943
  153   3HG2  VAL  23          3HG2      VAL  23  -8.488   4.012  -6.650
  154    H    CYS  24           HN       CYS  24  -6.079   2.771  -2.674
  155    HA   CYS  24           HA       CYS  24  -3.303   2.383  -2.962
  156   1HB   CYS  24           HB2      CYS  24  -5.249   2.343  -0.819
  157   2HB   CYS  24           HB1      CYS  24  -4.087   1.035  -0.624
  158    H    ASN  25           HN       ASN  25  -2.066   0.579  -3.235
  159    HA   ASN  25           HA       ASN  25  -3.149  -2.061  -3.014
  160   1HB   ASN  25           HB2      ASN  25  -3.297  -0.739  -5.533
  161   2HB   ASN  25           HB1      ASN  25  -2.129  -2.048  -5.655
  162   1HD2  ASN  25          1HD2      ASN  25  -5.310  -1.261  -5.941
  163   2HD2  ASN  25          2HD2      ASN  25  -6.008  -2.833  -5.781
  164    H    CYS  26           HN       CYS  26  -1.585  -3.353  -2.351
  165    HA   CYS  26           HA       CYS  26   1.128  -2.437  -2.247
  166   1HB   CYS  26           HB2      CYS  26  -0.430  -4.670  -1.130
  167   2HB   CYS  26           HB1      CYS  26   1.252  -5.057  -1.474
  168    H    ASN  27           HN       ASN  27   2.950  -3.908  -2.925
  169    HA   ASN  27           HA       ASN  27   2.465  -5.653  -5.156
  170   1HB   ASN  27           HB2      ASN  27   3.341  -2.862  -5.561
  171   2HB   ASN  27           HB1      ASN  27   4.245  -4.084  -6.451
  172   1HD2  ASN  27          1HD2      ASN  27   3.337  -5.050  -8.179
  173   2HD2  ASN  27          2HD2      ASN  27   1.759  -4.685  -8.780
  174    H    VAL  28           HN       VAL  28   5.334  -3.705  -4.666
  175    HA   VAL  28           HA       VAL  28   6.691  -5.812  -3.211
  176    HB   VAL  28           HB       VAL  28   7.786  -4.947  -5.888
  177   1HG1  VAL  28          1HG1      VAL  28   9.286  -6.929  -5.494
  178   2HG1  VAL  28          2HG1      VAL  28   8.668  -6.971  -3.843
  179   3HG1  VAL  28          3HG1      VAL  28   9.549  -5.556  -4.420
  180   1HG2  VAL  28          1HG2      VAL  28   7.252  -7.267  -6.615
  181   2HG2  VAL  28          2HG2      VAL  28   5.829  -6.270  -6.311
  182   3HG2  VAL  28          3HG2      VAL  28   6.332  -7.475  -5.125
  Start of MODEL    3
    1   1H    VAL   1           HT1      VAL   1 -10.213   4.426   2.777
    2   2H    VAL   1           HT2      VAL   1  -9.831   6.092   2.618
    3   3H    VAL   1           HT3      VAL   1  -9.584   5.292   4.116
    4    HA   VAL   1           HA       VAL   1  -7.773   4.194   3.417
    5    HB   VAL   1           HB       VAL   1  -7.175   3.916   1.025
    6   1HG1  VAL   1          1HG1      VAL   1  -8.587   2.282   2.407
    7   2HG1  VAL   1          2HG1      VAL   1  -8.580   2.087   0.654
    8   3HG1  VAL   1          3HG1      VAL   1  -9.951   2.860   1.450
    9   1HG2  VAL   1          1HG2      VAL   1  -9.398   4.257  -0.443
   10   2HG2  VAL   1          2HG2      VAL   1  -8.135   5.480  -0.298
   11   3HG2  VAL   1          3HG2      VAL   1  -9.587   5.589   0.698
   12    H    GLY   2           HN       GLY   2  -5.679   5.006   2.868
   13   1HA   GLY   2           HA2      GLY   2  -5.557   7.788   1.961
   14   2HA   GLY   2           HA1      GLY   2  -4.925   7.424   3.559
   15    H    CYS   3           HN       CYS   3  -3.595   8.424   1.103
   16    HA   CYS   3           HA       CYS   3  -1.908   6.281   0.187
   17   1HB   CYS   3           HB2      CYS   3  -2.636   8.556  -0.985
   18   2HB   CYS   3           HB1      CYS   3  -1.156   9.136  -0.229
   19    H    GLU   4           HN       GLU   4  -1.762   8.769   2.626
   20    HA   GLU   4           HA       GLU   4   1.058   8.337   3.128
   21   1HB   GLU   4           HB2      GLU   4  -1.015  10.095   4.415
   22   2HB   GLU   4           HB1      GLU   4   0.631   9.972   5.019
   23   1HG   GLU   4           HG2      GLU   4   0.447  10.540   2.157
   24   2HG   GLU   4           HG1      GLU   4  -0.242  11.789   3.193
   25    H    GLU   5           HN       GLU   5  -1.530   6.583   3.787
   26    HA   GLU   5           HA       GLU   5  -0.322   5.427   6.177
   27   1HB   GLU   5           HB2      GLU   5  -3.119   6.483   5.965
   28   2HB   GLU   5           HB1      GLU   5  -2.775   5.119   7.020
   29   1HG   GLU   5           HG2      GLU   5  -1.129   6.464   8.224
   30   2HG   GLU   5           HG1      GLU   5  -1.479   7.832   7.168
   31    H    CYS   6           HN       CYS   6  -0.482   4.658   3.355
   32    HA   CYS   6           HA       CYS   6  -2.365   2.530   3.144
   33   1HB   CYS   6           HB2      CYS   6  -0.340   3.759   1.431
   34   2HB   CYS   6           HB1      CYS   6  -0.516   2.024   1.190
   35    HA   PRO   7           HA       PRO   7   1.901  -0.025   3.570
   36   1HB   PRO   7           HB2      PRO   7   2.938   1.874   5.629
   37   2HB   PRO   7           HB1      PRO   7   3.824   0.899   4.451
   38   1HG   PRO   7           HG2      PRO   7   3.450   3.520   4.076
   39   2HG   PRO   7           HG1      PRO   7   3.419   2.379   2.721
   40   1HD   PRO   7           HD2      PRO   7   1.170   3.809   4.034
   41   2HD   PRO   7           HD1      PRO   7   1.322   3.241   2.365
   42    H    MET   8           HN       MET   8   0.129   1.756   6.022
   43    HA   MET   8           HA       MET   8   0.511  -0.225   8.070
   44   1HB   MET   8           HB2      MET   8  -1.217   2.226   7.829
   45   2HB   MET   8           HB1      MET   8  -1.367   1.128   9.194
   46   1HG   MET   8           HG2      MET   8   1.361   2.041   8.572
   47   2HG   MET   8           HG1      MET   8   0.246   3.272   9.161
   48   1HE   MET   8           HE1      MET   8  -0.091  -0.443   9.976
   49   2HE   MET   8           HE2      MET   8   0.730  -0.642  11.524
   50   3HE   MET   8           HE3      MET   8   1.671  -0.403  10.052
   51    H    HIS   9           HN       HIS   9  -1.854   0.441   5.593
   52    HA   HIS   9           HA       HIS   9  -3.839  -1.344   6.665
   53   1HB   HIS   9           HB2      HIS   9  -3.555   0.219   4.118
   54   2HB   HIS   9           HB1      HIS   9  -4.799  -1.017   4.265
   55    HD1  HIS   9           HD1      HIS   9  -5.808  -0.516   7.088
   56    HD2  HIS   9           HD2      HIS   9  -4.951   2.527   4.391
   57    HE1  HIS   9           HE1      HIS   9  -7.149   1.466   7.862
   58    HE2  HIS   9           HE2      HIS   9  -6.549   3.319   6.264
   59    H    CYS  10           HN       CYS  10  -2.064  -1.418   3.570
   60    HA   CYS  10           HA       CYS  10  -2.566  -4.177   3.147
   61   1HB   CYS  10           HB2      CYS  10  -1.522  -2.038   1.652
   62   2HB   CYS  10           HB1      CYS  10  -0.239  -3.242   1.711
   63    H    LYS  11           HN       LYS  11  -1.517  -5.925   3.842
   64    HA   LYS  11           HA       LYS  11   0.724  -5.610   5.637
   65   1HB   LYS  11           HB2      LYS  11   0.519  -8.120   5.831
   66   2HB   LYS  11           HB1      LYS  11  -0.904  -7.206   6.310
   67   1HG   LYS  11           HG2      LYS  11  -2.167  -8.030   4.635
   68   2HG   LYS  11           HG1      LYS  11  -0.819  -8.078   3.496
   69   1HD   LYS  11           HD2      LYS  11   0.062 -10.063   4.653
   70   2HD   LYS  11           HD1      LYS  11  -1.320 -10.024   5.749
   71   1HE   LYS  11           HE2      LYS  11  -1.703 -11.654   4.003
   72   2HE   LYS  11           HE1      LYS  11  -2.826 -10.307   3.823
   73   1HZ   LYS  11           HZ1      LYS  11  -1.848  -9.624   1.910
   74   2HZ   LYS  11           HZ2      LYS  11  -1.466 -11.268   1.798
   75   3HZ   LYS  11           HZ3      LYS  11  -0.307 -10.168   2.350
   76    H    GLY  12           HN       GLY  12   2.661  -7.019   5.427
   77   1HA   GLY  12           HA2      GLY  12   3.841  -8.446   3.680
   78   2HA   GLY  12           HA1      GLY  12   3.517  -7.094   2.606
   79    H    LYS  13           HN       LYS  13   5.627  -8.412   4.917
   80    HA   LYS  13           HA       LYS  13   6.932  -6.126   5.876
   81   1HB   LYS  13           HB2      LYS  13   7.210  -8.474   6.733
   82   2HB   LYS  13           HB1      LYS  13   8.211  -8.807   5.326
   83   1HG   LYS  13           HG2      LYS  13   9.835  -8.304   6.827
   84   2HG   LYS  13           HG1      LYS  13   9.520  -6.685   6.200
   85   1HD   LYS  13           HD2      LYS  13   7.817  -7.511   8.453
   86   2HD   LYS  13           HD1      LYS  13   9.531  -7.331   8.833
   87   1HE   LYS  13           HE2      LYS  13   9.047  -5.161   9.101
   88   2HE   LYS  13           HE1      LYS  13   9.045  -5.098   7.339
   89   1HZ   LYS  13           HZ1      LYS  13   6.995  -4.274   7.661
   90   2HZ   LYS  13           HZ2      LYS  13   6.826  -4.954   9.200
   91   3HZ   LYS  13           HZ3      LYS  13   6.549  -5.898   7.824
   92    H    ASN  14           HN       ASN  14   7.007  -7.668   2.798
   93    HA   ASN  14           HA       ASN  14   9.047  -5.788   1.917
   94   1HB   ASN  14           HB2      ASN  14  10.109  -7.415   0.569
   95   2HB   ASN  14           HB1      ASN  14   9.828  -8.213   2.113
   96   1HD2  ASN  14          1HD2      ASN  14  10.286  -9.563  -0.291
   97   2HD2  ASN  14          2HD2      ASN  14   8.859 -10.446  -0.700
   98    H    ALA  15           HN       ALA  15   6.232  -5.477   1.913
   99    HA   ALA  15           HA       ALA  15   5.701  -5.462  -0.974
  100   1HB   ALA  15           HB1      ALA  15   4.290  -6.943   0.771
  101   2HB   ALA  15           HB2      ALA  15   3.607  -6.261  -0.705
  102   3HB   ALA  15           HB3      ALA  15   3.376  -5.436   0.837
  103    H    LYS  16           HN       LYS  16   6.103  -3.406  -1.547
  104    HA   LYS  16           HA       LYS  16   5.403  -1.207   0.194
  105   1HB   LYS  16           HB2      LYS  16   7.451  -0.926  -0.946
  106   2HB   LYS  16           HB1      LYS  16   6.751  -1.386  -2.490
  107   1HG   LYS  16           HG2      LYS  16   5.937   0.685  -2.892
  108   2HG   LYS  16           HG1      LYS  16   5.611   1.007  -1.188
  109   1HD   LYS  16           HD2      LYS  16   8.456   0.745  -1.864
  110   2HD   LYS  16           HD1      LYS  16   7.643   2.118  -2.619
  111   1HE   LYS  16           HE2      LYS  16   6.701   2.290  -0.084
  112   2HE   LYS  16           HE1      LYS  16   8.308   1.626   0.203
  113   1HZ   LYS  16           HZ1      LYS  16   7.679   4.112  -1.294
  114   2HZ   LYS  16           HZ2      LYS  16   9.229   3.460  -1.111
  115   3HZ   LYS  16           HZ3      LYS  16   8.383   4.017   0.243
  116    HA   PRO  17           HA       PRO  17   1.413  -0.682  -1.719
  117   1HB   PRO  17           HB2      PRO  17   0.618   1.483  -0.356
  118   2HB   PRO  17           HB1      PRO  17   0.759  -0.099   0.422
  119   1HG   PRO  17           HG2      PRO  17   2.649   2.221   0.489
  120   2HG   PRO  17           HG1      PRO  17   2.137   1.156   1.811
  121   1HD   PRO  17           HD2      PRO  17   4.506   0.881   0.451
  122   2HD   PRO  17           HD1      PRO  17   3.669  -0.455   1.264
  123    H    THR  18           HN       THR  18   0.417   0.620  -3.246
  124    HA   THR  18           HA       THR  18   1.827   3.041  -4.090
  125    HB   THR  18           HB       THR  18   2.510   1.081  -5.499
  126    HG1  THR  18           HG1      THR  18   1.071   3.142  -6.813
  127   1HG2  THR  18          1HG2      THR  18   1.030  -0.276  -6.392
  128   2HG2  THR  18          2HG2      THR  18   0.250   1.078  -7.211
  129   3HG2  THR  18          3HG2      THR  18  -0.252   0.623  -5.584
  130    H    CYS  19           HN       CYS  19   0.540   4.566  -5.236
  131    HA   CYS  19           HA       CYS  19  -2.340   4.209  -4.740
  132   1HB   CYS  19           HB2      CYS  19  -0.541   6.597  -4.648
  133   2HB   CYS  19           HB1      CYS  19  -2.246   6.821  -5.021
  134    H    ASP  20           HN       ASP  20  -3.531   3.847  -6.480
  135    HA   ASP  20           HA       ASP  20  -2.795   5.128  -8.997
  136   1HB   ASP  20           HB2      ASP  20  -2.370   2.552  -8.718
  137   2HB   ASP  20           HB1      ASP  20  -4.106   2.447  -8.984
  138    H    ASP  21           HN       ASP  21  -4.322   6.674  -9.174
  139    HA   ASP  21           HA       ASP  21  -6.360   7.692  -9.258
  140   1HB   ASP  21           HB2      ASP  21  -6.791   4.987 -10.428
  141   2HB   ASP  21           HB1      ASP  21  -8.218   5.960 -10.086
  142    H    GLY  22           HN       GLY  22  -5.763   7.184  -6.729
  143   1HA   GLY  22           HA2      GLY  22  -6.699   7.090  -4.654
  144   2HA   GLY  22           HA1      GLY  22  -8.252   7.056  -5.459
  145    H    VAL  23           HN       VAL  23  -6.106   4.581  -6.411
  146    HA   VAL  23           HA       VAL  23  -7.525   2.668  -4.675
  147    HB   VAL  23           HB       VAL  23  -6.373   2.119  -7.412
  148   1HG1  VAL  23          1HG1      VAL  23  -8.251   0.450  -5.746
  149   2HG1  VAL  23          2HG1      VAL  23  -6.507   0.199  -5.827
  150   3HG1  VAL  23          3HG1      VAL  23  -7.495   0.005  -7.276
  151   1HG2  VAL  23          1HG2      VAL  23  -8.935   1.865  -7.896
  152   2HG2  VAL  23          2HG2      VAL  23  -8.166   3.451  -7.956
  153   3HG2  VAL  23          3HG2      VAL  23  -9.092   2.973  -6.533
  154    H    CYS  24           HN       CYS  24  -6.136   2.222  -3.058
  155    HA   CYS  24           HA       CYS  24  -3.304   2.166  -3.392
  156   1HB   CYS  24           HB2      CYS  24  -4.589   2.684  -1.249
  157   2HB   CYS  24           HB1      CYS  24  -4.836   0.948  -1.096
  158    H    ASN  25           HN       ASN  25  -1.903   0.389  -3.349
  159    HA   ASN  25           HA       ASN  25  -2.903  -2.295  -3.323
  160   1HB   ASN  25           HB2      ASN  25  -2.693  -0.929  -5.825
  161   2HB   ASN  25           HB1      ASN  25  -1.510  -2.230  -5.775
  162   1HD2  ASN  25          1HD2      ASN  25  -4.905  -1.434  -5.560
  163   2HD2  ASN  25          2HD2      ASN  25  -5.497  -3.020  -5.904
  164    H    CYS  26           HN       CYS  26  -1.412  -3.504  -2.399
  165    HA   CYS  26           HA       CYS  26   1.349  -2.533  -2.313
  166   1HB   CYS  26           HB2      CYS  26   1.603  -4.206  -0.460
  167   2HB   CYS  26           HB1      CYS  26   0.423  -2.940  -0.139
  168    H    ASN  27           HN       ASN  27   3.104  -3.819  -2.864
  169    HA   ASN  27           HA       ASN  27   2.619  -6.456  -3.984
  170   1HB   ASN  27           HB2      ASN  27   3.653  -4.125  -5.583
  171   2HB   ASN  27           HB1      ASN  27   3.952  -5.796  -6.055
  172   1HD2  ASN  27          1HD2      ASN  27   1.847  -3.198  -6.247
  173   2HD2  ASN  27          2HD2      ASN  27   0.487  -4.017  -6.930
  174    H    VAL  28           HN       VAL  28   5.333  -4.300  -4.522
  175    HA   VAL  28           HA       VAL  28   6.944  -5.646  -2.513
  176    HB   VAL  28           HB       VAL  28   7.853  -5.646  -5.391
  177   1HG1  VAL  28          1HG1      VAL  28   9.007  -6.670  -2.820
  178   2HG1  VAL  28          2HG1      VAL  28   9.752  -5.631  -4.035
  179   3HG1  VAL  28          3HG1      VAL  28   9.492  -7.342  -4.377
  180   1HG2  VAL  28          1HG2      VAL  28   6.586  -7.826  -3.748
  181   2HG2  VAL  28          2HG2      VAL  28   7.549  -8.147  -5.191
  182   3HG2  VAL  28          3HG2      VAL  28   6.068  -7.198  -5.313
  Start of MODEL    4
    1   1H    VAL   1           HT1      VAL   1  -8.699   0.795   1.190
    2   2H    VAL   1           HT2      VAL   1  -7.595   1.317   2.396
    3   3H    VAL   1           HT3      VAL   1  -7.175   1.434   0.736
    4    HA   VAL   1           HA       VAL   1  -8.664   3.112   0.341
    5    HB   VAL   1           HB       VAL   1 -10.229   3.910   2.130
    6   1HG1  VAL   1          1HG1      VAL   1 -11.895   2.623   1.304
    7   2HG1  VAL   1          2HG1      VAL   1 -11.044   1.115   1.637
    8   3HG1  VAL   1          3HG1      VAL   1 -10.621   2.070   0.216
    9   1HG2  VAL   1          1HG2      VAL   1 -10.511   2.848   4.119
   10   2HG2  VAL   1          2HG2      VAL   1  -8.816   2.442   3.849
   11   3HG2  VAL   1          3HG2      VAL   1 -10.076   1.269   3.465
   12    H    GLY   2           HN       GLY   2  -7.979   5.183   0.594
   13   1HA   GLY   2           HA2      GLY   2  -7.020   7.027   1.661
   14   2HA   GLY   2           HA1      GLY   2  -6.687   6.016   3.059
   15    H    CYS   3           HN       CYS   3  -5.318   7.646   0.517
   16    HA   CYS   3           HA       CYS   3  -3.163   5.918  -0.150
   17   1HB   CYS   3           HB2      CYS   3  -3.991   7.895  -1.505
   18   2HB   CYS   3           HB1      CYS   3  -3.167   8.931  -0.346
   19    H    GLU   4           HN       GLU   4  -3.652   8.389   2.294
   20    HA   GLU   4           HA       GLU   4  -0.899   8.249   3.180
   21   1HB   GLU   4           HB2      GLU   4  -3.300   9.809   4.079
   22   2HB   GLU   4           HB1      GLU   4  -1.804   9.811   5.002
   23   1HG   GLU   4           HG2      GLU   4  -0.843  10.412   2.566
   24   2HG   GLU   4           HG1      GLU   4  -2.456  11.111   2.442
   25    H    GLU   5           HN       GLU   5  -3.356   6.234   3.518
   26    HA   GLU   5           HA       GLU   5  -2.502   5.376   6.190
   27   1HB   GLU   5           HB2      GLU   5  -5.301   5.474   5.081
   28   2HB   GLU   5           HB1      GLU   5  -4.871   4.496   6.477
   29   1HG   GLU   5           HG2      GLU   5  -3.999   7.279   6.659
   30   2HG   GLU   5           HG1      GLU   5  -5.747   7.072   6.561
   31    H    CYS   6           HN       CYS   6  -1.682   4.568   3.458
   32    HA   CYS   6           HA       CYS   6  -2.792   1.974   3.017
   33   1HB   CYS   6           HB2      CYS   6  -1.345   3.771   1.482
   34   2HB   CYS   6           HB1      CYS   6  -0.235   2.426   1.726
   35    HA   PRO   7           HA       PRO   7   1.809   0.812   4.550
   36   1HB   PRO   7           HB2      PRO   7   1.784   2.992   6.593
   37   2HB   PRO   7           HB1      PRO   7   3.148   2.288   5.716
   38   1HG   PRO   7           HG2      PRO   7   2.147   4.669   5.028
   39   2HG   PRO   7           HG1      PRO   7   2.734   3.526   3.806
   40   1HD   PRO   7           HD2      PRO   7  -0.057   4.269   4.509
   41   2HD   PRO   7           HD1      PRO   7   0.609   3.731   2.961
   42    H    MET   8           HN       MET   8  -0.894   2.059   6.410
   43    HA   MET   8           HA       MET   8  -0.448   0.417   8.705
   44   1HB   MET   8           HB2      MET   8  -2.916   1.889   7.766
   45   2HB   MET   8           HB1      MET   8  -2.760   1.100   9.330
   46   1HG   MET   8           HG2      MET   8  -0.643   3.029   8.663
   47   2HG   MET   8           HG1      MET   8  -2.255   3.704   8.890
   48   1HE   MET   8           HE1      MET   8   0.269   1.135  10.476
   49   2HE   MET   8           HE2      MET   8  -1.316   0.410  10.748
   50   3HE   MET   8           HE3      MET   8  -0.371   1.004  12.114
   51    H    HIS   9           HN       HIS   9  -2.168   0.056   5.690
   52    HA   HIS   9           HA       HIS   9  -3.568  -2.324   6.549
   53   1HB   HIS   9           HB2      HIS   9  -3.531  -0.609   4.139
   54   2HB   HIS   9           HB1      HIS   9  -3.882  -2.311   3.858
   55    HD1  HIS   9           HD1      HIS   9  -5.637  -2.958   6.257
   56    HD2  HIS   9           HD2      HIS   9  -5.986   0.539   4.039
   57    HE1  HIS   9           HE1      HIS   9  -7.985  -2.147   6.645
   58    HE2  HIS   9           HE2      HIS   9  -8.201  -0.080   5.220
   59    H    CYS  10           HN       CYS  10  -1.556  -1.869   3.653
   60    HA   CYS  10           HA       CYS  10  -0.593  -4.601   3.926
   61   1HB   CYS  10           HB2      CYS  10  -0.332  -2.540   1.736
   62   2HB   CYS  10           HB1      CYS  10   0.479  -4.101   1.681
   63    H    LYS  11           HN       LYS  11   1.245  -5.063   4.920
   64    HA   LYS  11           HA       LYS  11   3.669  -3.702   4.478
   65   1HB   LYS  11           HB2      LYS  11   3.991  -2.852   6.830
   66   2HB   LYS  11           HB1      LYS  11   2.857  -1.936   5.848
   67   1HG   LYS  11           HG2      LYS  11   1.097  -2.461   7.147
   68   2HG   LYS  11           HG1      LYS  11   1.682  -4.095   7.467
   69   1HD   LYS  11           HD2      LYS  11   3.539  -2.581   8.767
   70   2HD   LYS  11           HD1      LYS  11   2.078  -1.615   8.984
   71   1HE   LYS  11           HE2      LYS  11   1.878  -4.536   9.459
   72   2HE   LYS  11           HE1      LYS  11   2.756  -3.577  10.650
   73   1HZ   LYS  11           HZ1      LYS  11  -0.085  -3.576   9.991
   74   2HZ   LYS  11           HZ2      LYS  11   0.603  -2.085  10.395
   75   3HZ   LYS  11           HZ3      LYS  11   0.679  -3.374  11.487
   76    H    GLY  12           HN       GLY  12   5.024  -5.359   4.531
   77   1HA   GLY  12           HA2      GLY  12   4.973  -7.152   6.849
   78   2HA   GLY  12           HA1      GLY  12   4.870  -7.856   5.243
   79    H    LYS  13           HN       LYS  13   6.673  -7.600   3.807
   80    HA   LYS  13           HA       LYS  13   9.131  -6.536   4.815
   81   1HB   LYS  13           HB2      LYS  13   8.594  -9.118   5.535
   82   2HB   LYS  13           HB1      LYS  13   9.519  -9.343   4.057
   83   1HG   LYS  13           HG2      LYS  13  11.141  -9.375   5.705
   84   2HG   LYS  13           HG1      LYS  13  11.204  -7.711   5.119
   85   1HD   LYS  13           HD2      LYS  13   9.671  -7.083   6.995
   86   2HD   LYS  13           HD1      LYS  13   9.857  -8.723   7.619
   87   1HE   LYS  13           HE2      LYS  13  12.006  -8.372   8.290
   88   2HE   LYS  13           HE1      LYS  13  12.330  -7.205   7.009
   89   1HZ   LYS  13           HZ1      LYS  13  11.597  -5.494   8.257
   90   2HZ   LYS  13           HZ2      LYS  13  12.004  -6.516   9.542
   91   3HZ   LYS  13           HZ3      LYS  13  10.396  -6.403   9.030
   92    H    ASN  14           HN       ASN  14   7.366  -8.216   2.315
   93    HA   ASN  14           HA       ASN  14   9.130  -7.010   0.345
   94   1HB   ASN  14           HB2      ASN  14   8.382  -9.862   0.634
   95   2HB   ASN  14           HB1      ASN  14   8.326  -9.211  -1.001
   96   1HD2  ASN  14          1HD2      ASN  14  10.448  -9.093   1.843
   97   2HD2  ASN  14          2HD2      ASN  14  11.920  -9.311   0.964
   98    H    ALA  15           HN       ALA  15   6.688  -6.105   1.483
   99    HA   ALA  15           HA       ALA  15   5.093  -5.952  -0.959
  100   1HB   ALA  15           HB1      ALA  15   3.616  -7.366  -0.024
  101   2HB   ALA  15           HB2      ALA  15   3.110  -5.937   0.878
  102   3HB   ALA  15           HB3      ALA  15   4.230  -7.089   1.606
  103    H    LYS  16           HN       LYS  16   5.164  -3.851  -1.472
  104    HA   LYS  16           HA       LYS  16   4.842  -1.892   0.703
  105   1HB   LYS  16           HB2      LYS  16   7.035  -1.685  -0.271
  106   2HB   LYS  16           HB1      LYS  16   6.359  -1.639  -1.892
  107   1HG   LYS  16           HG2      LYS  16   5.273   0.495  -1.366
  108   2HG   LYS  16           HG1      LYS  16   5.992   0.449   0.245
  109   1HD   LYS  16           HD2      LYS  16   7.650   1.638  -0.699
  110   2HD   LYS  16           HD1      LYS  16   8.179   0.077  -1.329
  111   1HE   LYS  16           HE2      LYS  16   6.253   1.865  -2.793
  112   2HE   LYS  16           HE1      LYS  16   8.000   1.967  -3.006
  113   1HZ   LYS  16           HZ1      LYS  16   8.017  -0.333  -3.727
  114   2HZ   LYS  16           HZ2      LYS  16   6.966   0.574  -4.693
  115   3HZ   LYS  16           HZ3      LYS  16   6.344  -0.450  -3.499
  116    HA   PRO  17           HA       PRO  17   1.085  -0.756  -1.377
  117   1HB   PRO  17           HB2      PRO  17   0.519   1.486   0.009
  118   2HB   PRO  17           HB1      PRO  17   0.362  -0.124   0.722
  119   1HG   PRO  17           HG2      PRO  17   2.579   1.868   1.011
  120   2HG   PRO  17           HG1      PRO  17   1.810   0.862   2.253
  121   1HD   PRO  17           HD2      PRO  17   4.197   0.238   1.096
  122   2HD   PRO  17           HD1      PRO  17   3.068  -0.984   1.714
  123    H    THR  18           HN       THR  18   0.404   0.620  -2.991
  124    HA   THR  18           HA       THR  18   2.140   2.885  -3.660
  125    HB   THR  18           HB       THR  18   2.681   0.885  -5.061
  126    HG1  THR  18           HG1      THR  18   2.947   3.090  -5.795
  127   1HG2  THR  18          1HG2      THR  18   1.097  -0.296  -6.022
  128   2HG2  THR  18          2HG2      THR  18   0.594   1.124  -6.939
  129   3HG2  THR  18          3HG2      THR  18  -0.121   0.793  -5.363
  130    H    CYS  19           HN       CYS  19   1.154   4.563  -4.890
  131    HA   CYS  19           HA       CYS  19  -1.773   4.603  -4.603
  132   1HB   CYS  19           HB2      CYS  19   0.019   6.333  -3.534
  133   2HB   CYS  19           HB1      CYS  19  -0.365   7.153  -5.042
  134    H    ASP  20           HN       ASP  20  -2.884   4.442  -6.434
  135    HA   ASP  20           HA       ASP  20  -1.757   5.581  -8.875
  136   1HB   ASP  20           HB2      ASP  20  -1.785   2.973  -8.592
  137   2HB   ASP  20           HB1      ASP  20  -3.490   3.152  -8.987
  138    H    ASP  21           HN       ASP  21  -2.987   7.386  -9.062
  139    HA   ASP  21           HA       ASP  21  -4.817   8.727  -9.285
  140   1HB   ASP  21           HB2      ASP  21  -5.539   6.180 -10.649
  141   2HB   ASP  21           HB1      ASP  21  -6.826   7.354 -10.390
  142    H    GLY  22           HN       GLY  22  -4.600   8.065  -6.741
  143   1HA   GLY  22           HA2      GLY  22  -5.774   8.064  -4.788
  144   2HA   GLY  22           HA1      GLY  22  -7.218   8.244  -5.760
  145    H    VAL  23           HN       VAL  23  -5.363   5.537  -6.623
  146    HA   VAL  23           HA       VAL  23  -7.168   3.785  -5.089
  147    HB   VAL  23           HB       VAL  23  -5.815   3.140  -7.709
  148   1HG1  VAL  23          1HG1      VAL  23  -7.084   1.166  -7.744
  149   2HG1  VAL  23          2HG1      VAL  23  -8.142   1.722  -6.448
  150   3HG1  VAL  23          3HG1      VAL  23  -6.472   1.279  -6.094
  151   1HG2  VAL  23          1HG2      VAL  23  -8.610   4.112  -7.145
  152   2HG2  VAL  23          2HG2      VAL  23  -8.122   3.358  -8.663
  153   3HG2  VAL  23          3HG2      VAL  23  -7.385   4.878  -8.157
  154    H    CYS  24           HN       CYS  24  -5.999   3.180  -3.347
  155    HA   CYS  24           HA       CYS  24  -3.184   2.729  -3.423
  156   1HB   CYS  24           HB2      CYS  24  -5.179   2.997  -1.430
  157   2HB   CYS  24           HB1      CYS  24  -4.408   1.436  -1.170
  158    H    ASN  25           HN       ASN  25  -2.038   0.835  -3.486
  159    HA   ASN  25           HA       ASN  25  -3.324  -1.723  -3.418
  160   1HB   ASN  25           HB2      ASN  25  -3.009  -0.409  -5.936
  161   2HB   ASN  25           HB1      ASN  25  -1.976  -1.833  -5.892
  162   1HD2  ASN  25          1HD2      ASN  25  -4.403  -1.277  -7.437
  163   2HD2  ASN  25          2HD2      ASN  25  -5.504  -2.554  -7.056
  164    H    CYS  26           HN       CYS  26  -1.955  -3.080  -2.505
  165    HA   CYS  26           HA       CYS  26   0.888  -2.399  -2.441
  166   1HB   CYS  26           HB2      CYS  26   0.991  -4.138  -0.634
  167   2HB   CYS  26           HB1      CYS  26  -0.061  -2.774  -0.271
  168    H    ASN  27           HN       ASN  27   2.477  -3.699  -3.233
  169    HA   ASN  27           HA       ASN  27   1.697  -6.254  -4.438
  170   1HB   ASN  27           HB2      ASN  27   3.129  -3.984  -5.796
  171   2HB   ASN  27           HB1      ASN  27   3.242  -5.641  -6.381
  172   1HD2  ASN  27          1HD2      ASN  27   1.694  -2.822  -6.827
  173   2HD2  ASN  27          2HD2      ASN  27   0.211  -3.390  -7.508
  174    H    VAL  28           HN       VAL  28   4.745  -4.571  -4.784
  175    HA   VAL  28           HA       VAL  28   6.001  -6.519  -2.973
  176    HB   VAL  28           HB       VAL  28   6.434  -7.196  -5.289
  177   1HG1  VAL  28          1HG1      VAL  28   8.195  -5.432  -6.369
  178   2HG1  VAL  28          2HG1      VAL  28   7.052  -4.344  -5.583
  179   3HG1  VAL  28          3HG1      VAL  28   6.480  -5.513  -6.773
  180   1HG2  VAL  28          1HG2      VAL  28   8.217  -7.114  -3.298
  181   2HG2  VAL  28          2HG2      VAL  28   9.069  -6.119  -4.480
  182   3HG2  VAL  28          3HG2      VAL  28   8.593  -7.767  -4.893
  Start of MODEL    5
    1   1H    VAL   1           HT1      VAL   1 -10.492   5.974   4.195
    2   2H    VAL   1           HT2      VAL   1 -10.785   5.954   2.504
    3   3H    VAL   1           HT3      VAL   1  -9.985   7.291   3.223
    4    HA   VAL   1           HA       VAL   1  -8.094   6.085   3.664
    5    HB   VAL   1           HB       VAL   1  -7.991   3.629   3.072
    6   1HG1  VAL   1          1HG1      VAL   1  -9.345   4.851   5.386
    7   2HG1  VAL   1          2HG1      VAL   1  -7.936   3.793   5.321
    8   3HG1  VAL   1          3HG1      VAL   1  -9.557   3.110   5.202
    9   1HG2  VAL   1          1HG2      VAL   1 -10.035   3.560   1.712
   10   2HG2  VAL   1          2HG2      VAL   1 -10.997   3.878   3.155
   11   3HG2  VAL   1          3HG2      VAL   1 -10.077   2.379   3.021
   12    H    GLY   2           HN       GLY   2  -6.639   6.491   2.134
   13   1HA   GLY   2           HA2      GLY   2  -7.080   5.578  -0.595
   14   2HA   GLY   2           HA1      GLY   2  -6.998   7.318  -0.369
   15    H    CYS   3           HN       CYS   3  -5.034   8.284   0.194
   16    HA   CYS   3           HA       CYS   3  -2.689   6.558  -0.242
   17   1HB   CYS   3           HB2      CYS   3  -3.410   8.712  -1.711
   18   2HB   CYS   3           HB1      CYS   3  -2.388   9.490  -0.508
   19    H    GLU   4           HN       GLU   4  -4.251   8.641   1.996
   20    HA   GLU   4           HA       GLU   4  -1.866   9.173   3.540
   21   1HB   GLU   4           HB2      GLU   4  -4.774   9.814   3.938
   22   2HB   GLU   4           HB1      GLU   4  -3.561  10.173   5.158
   23   1HG   GLU   4           HG2      GLU   4  -3.261  11.163   2.351
   24   2HG   GLU   4           HG1      GLU   4  -4.259  12.025   3.522
   25    H    GLU   5           HN       GLU   5  -3.582   6.505   3.137
   26    HA   GLU   5           HA       GLU   5  -2.994   5.538   5.835
   27   1HB   GLU   5           HB2      GLU   5  -5.578   5.226   4.329
   28   2HB   GLU   5           HB1      GLU   5  -5.112   4.105   5.599
   29   1HG   GLU   5           HG2      GLU   5  -5.028   6.996   6.230
   30   2HG   GLU   5           HG1      GLU   5  -6.611   6.240   6.058
   31    H    CYS   6           HN       CYS   6  -1.470   5.271   3.443
   32    HA   CYS   6           HA       CYS   6  -1.925   2.692   2.321
   33   1HB   CYS   6           HB2      CYS   6   0.008   4.868   1.944
   34   2HB   CYS   6           HB1      CYS   6   0.639   3.256   1.627
   35    HA   PRO   7           HA       PRO   7   2.184   1.828   5.018
   36   1HB   PRO   7           HB2      PRO   7   1.174   3.527   7.259
   37   2HB   PRO   7           HB1      PRO   7   2.837   3.190   6.765
   38   1HG   PRO   7           HG2      PRO   7   1.665   5.517   6.168
   39   2HG   PRO   7           HG1      PRO   7   2.779   4.727   5.038
   40   1HD   PRO   7           HD2      PRO   7  -0.182   4.963   4.916
   41   2HD   PRO   7           HD1      PRO   7   0.993   4.827   3.600
   42    H    MET   8           HN       MET   8  -0.749   2.649   6.889
   43    HA   MET   8           HA       MET   8  -0.709   0.399   8.541
   44   1HB   MET   8           HB2      MET   8  -2.753   2.406   7.753
   45   2HB   MET   8           HB1      MET   8  -3.332   0.927   8.506
   46   1HG   MET   8           HG2      MET   8  -1.486   1.464  10.278
   47   2HG   MET   8           HG1      MET   8  -1.647   3.100   9.641
   48   1HE   MET   8           HE1      MET   8  -5.343   3.936  10.235
   49   2HE   MET   8           HE2      MET   8  -4.074   3.907   9.010
   50   3HE   MET   8           HE3      MET   8  -3.812   4.761  10.531
   51    H    HIS   9           HN       HIS   9  -1.880   0.815   5.284
   52    HA   HIS   9           HA       HIS   9  -3.248  -1.749   5.291
   53   1HB   HIS   9           HB2      HIS   9  -2.925   0.454   3.271
   54   2HB   HIS   9           HB1      HIS   9  -3.537  -1.125   2.791
   55    HD1  HIS   9           HD1      HIS   9  -5.308  -1.636   5.325
   56    HD2  HIS   9           HD2      HIS   9  -5.273   1.860   3.080
   57    HE1  HIS   9           HE1      HIS   9  -7.532  -0.541   5.749
   58    HE2  HIS   9           HE2      HIS   9  -7.454   1.614   4.448
   59    H    CYS  10           HN       CYS  10  -2.615  -3.555   4.138
   60    HA   CYS  10           HA       CYS  10  -1.157  -5.095   3.333
   61   1HB   CYS  10           HB2      CYS  10  -0.696  -2.653   1.738
   62   2HB   CYS  10           HB1      CYS  10   0.570  -3.868   1.652
   63    H    LYS  11           HN       LYS  11   0.107  -5.859   4.924
   64    HA   LYS  11           HA       LYS  11   2.712  -4.573   5.306
   65   1HB   LYS  11           HB2      LYS  11   0.848  -5.430   7.523
   66   2HB   LYS  11           HB1      LYS  11   2.547  -5.047   7.763
   67   1HG   LYS  11           HG2      LYS  11   1.880  -2.796   6.595
   68   2HG   LYS  11           HG1      LYS  11   0.264  -3.245   7.143
   69   1HD   LYS  11           HD2      LYS  11   1.122  -1.945   8.889
   70   2HD   LYS  11           HD1      LYS  11   1.350  -3.607   9.436
   71   1HE   LYS  11           HE2      LYS  11   3.681  -3.526   8.669
   72   2HE   LYS  11           HE1      LYS  11   3.446  -1.855   8.156
   73   1HZ   LYS  11           HZ1      LYS  11   3.665  -2.955  10.864
   74   2HZ   LYS  11           HZ2      LYS  11   2.703  -1.582  10.634
   75   3HZ   LYS  11           HZ3      LYS  11   4.341  -1.546  10.214
   76    H    GLY  12           HN       GLY  12   4.208  -6.018   4.804
   77   1HA   GLY  12           HA2      GLY  12   3.919  -8.762   5.792
   78   2HA   GLY  12           HA1      GLY  12   4.185  -8.517   4.073
   79    H    LYS  13           HN       LYS  13   6.214  -8.073   3.331
   80    HA   LYS  13           HA       LYS  13   8.325  -7.279   5.079
   81   1HB   LYS  13           HB2      LYS  13   7.844 -10.079   4.639
   82   2HB   LYS  13           HB1      LYS  13   9.402  -9.630   3.960
   83   1HG   LYS  13           HG2      LYS  13   9.563  -8.406   6.350
   84   2HG   LYS  13           HG1      LYS  13   8.526  -9.772   6.765
   85   1HD   LYS  13           HD2      LYS  13  10.482 -10.857   7.036
   86   2HD   LYS  13           HD1      LYS  13  10.421 -11.009   5.279
   87   1HE   LYS  13           HE2      LYS  13  11.670  -8.609   6.561
   88   2HE   LYS  13           HE1      LYS  13  12.578 -10.112   6.400
   89   1HZ   LYS  13           HZ1      LYS  13  11.235  -8.844   4.090
   90   2HZ   LYS  13           HZ2      LYS  13  12.460 -10.010   4.081
   91   3HZ   LYS  13           HZ3      LYS  13  12.808  -8.422   4.549
   92    H    ASN  14           HN       ASN  14   7.431  -8.624   1.944
   93    HA   ASN  14           HA       ASN  14   9.352  -6.811   0.712
   94   1HB   ASN  14           HB2      ASN  14   8.781  -9.686   0.099
   95   2HB   ASN  14           HB1      ASN  14   9.300  -8.612  -1.196
   96   1HD2  ASN  14          1HD2      ASN  14  11.348  -9.024  -1.597
   97   2HD2  ASN  14          2HD2      ASN  14  12.602  -9.182  -0.419
   98    H    ALA  15           HN       ALA  15   6.624  -6.369   1.400
   99    HA   ALA  15           HA       ALA  15   5.457  -6.087  -1.285
  100   1HB   ALA  15           HB1      ALA  15   3.455  -6.834  -0.596
  101   2HB   ALA  15           HB2      ALA  15   3.581  -6.028   0.968
  102   3HB   ALA  15           HB3      ALA  15   4.381  -7.578   0.708
  103    H    LYS  16           HN       LYS  16   5.974  -4.011  -1.779
  104    HA   LYS  16           HA       LYS  16   5.585  -1.932   0.222
  105   1HB   LYS  16           HB2      LYS  16   7.645  -1.806  -1.009
  106   2HB   LYS  16           HB1      LYS  16   6.790  -1.870  -2.543
  107   1HG   LYS  16           HG2      LYS  16   5.659   0.321  -1.453
  108   2HG   LYS  16           HG1      LYS  16   7.264   0.391  -0.724
  109   1HD   LYS  16           HD2      LYS  16   7.330   1.635  -2.764
  110   2HD   LYS  16           HD1      LYS  16   8.230   0.138  -3.015
  111   1HE   LYS  16           HE2      LYS  16   6.611  -0.761  -4.389
  112   2HE   LYS  16           HE1      LYS  16   5.328   0.237  -3.706
  113   1HZ   LYS  16           HZ1      LYS  16   6.128   2.123  -4.877
  114   2HZ   LYS  16           HZ2      LYS  16   6.031   0.859  -5.997
  115   3HZ   LYS  16           HZ3      LYS  16   7.533   1.319  -5.370
  116    HA   PRO  17           HA       PRO  17   1.598  -0.936  -1.463
  117   1HB   PRO  17           HB2      PRO  17   1.171   1.366  -0.124
  118   2HB   PRO  17           HB1      PRO  17   1.095  -0.215   0.662
  119   1HG   PRO  17           HG2      PRO  17   3.315   1.792   0.652
  120   2HG   PRO  17           HG1      PRO  17   2.693   0.819   1.997
  121   1HD   PRO  17           HD2      PRO  17   4.952   0.179   0.606
  122   2HD   PRO  17           HD1      PRO  17   3.913  -1.029   1.388
  123    H    THR  18           HN       THR  18   0.800   0.244  -3.122
  124    HA   THR  18           HA       THR  18   2.407   2.499  -4.106
  125    HB   THR  18           HB       THR  18   1.062   1.398  -6.273
  126    HG1  THR  18           HG1      THR  18   2.490  -0.600  -4.874
  127   1HG2  THR  18          1HG2      THR  18   3.952   0.976  -5.630
  128   2HG2  THR  18          2HG2      THR  18   3.294   2.494  -6.242
  129   3HG2  THR  18          3HG2      THR  18   3.191   1.030  -7.220
  130    H    CYS  19           HN       CYS  19   1.325   4.265  -4.906
  131    HA   CYS  19           HA       CYS  19  -1.537   4.328  -4.286
  132   1HB   CYS  19           HB2      CYS  19   0.289   6.008  -3.385
  133   2HB   CYS  19           HB1      CYS  19   0.016   6.794  -4.935
  134    H    ASP  20           HN       ASP  20  -2.888   4.091  -5.932
  135    HA   ASP  20           HA       ASP  20  -2.188   5.254  -8.516
  136   1HB   ASP  20           HB2      ASP  20  -2.083   2.647  -8.234
  137   2HB   ASP  20           HB1      ASP  20  -3.833   2.768  -8.363
  138    H    ASP  21           HN       ASP  21  -3.503   6.995  -8.574
  139    HA   ASP  21           HA       ASP  21  -5.389   8.272  -8.523
  140   1HB   ASP  21           HB2      ASP  21  -6.523   5.621  -9.425
  141   2HB   ASP  21           HB1      ASP  21  -7.468   7.106  -9.386
  142    H    GLY  22           HN       GLY  22  -4.694   7.684  -6.037
  143   1HA   GLY  22           HA2      GLY  22  -5.496   7.717  -3.905
  144   2HA   GLY  22           HA1      GLY  22  -7.093   7.866  -4.605
  145    H    VAL  23           HN       VAL  23  -5.360   5.149  -5.698
  146    HA   VAL  23           HA       VAL  23  -6.862   3.426  -3.838
  147    HB   VAL  23           HB       VAL  23  -5.981   2.735  -6.643
  148   1HG1  VAL  23          1HG1      VAL  23  -6.533   1.026  -4.617
  149   2HG1  VAL  23          2HG1      VAL  23  -6.794   0.661  -6.323
  150   3HG1  VAL  23          3HG1      VAL  23  -8.135   1.228  -5.327
  151   1HG2  VAL  23          1HG2      VAL  23  -8.851   2.981  -6.058
  152   2HG2  VAL  23          2HG2      VAL  23  -7.936   3.467  -7.485
  153   3HG2  VAL  23          3HG2      VAL  23  -7.952   4.499  -6.054
  154    H    CYS  24           HN       CYS  24  -5.417   2.853  -2.312
  155    HA   CYS  24           HA       CYS  24  -2.649   2.386  -2.903
  156   1HB   CYS  24           HB2      CYS  24  -3.668   3.248  -0.698
  157   2HB   CYS  24           HB1      CYS  24  -4.036   1.560  -0.362
  158    H    ASN  25           HN       ASN  25  -1.588   0.487  -3.171
  159    HA   ASN  25           HA       ASN  25  -2.791  -2.040  -2.568
  160   1HB   ASN  25           HB2      ASN  25  -3.161  -0.931  -5.175
  161   2HB   ASN  25           HB1      ASN  25  -2.135  -2.356  -5.294
  162   1HD2  ASN  25          1HD2      ASN  25  -3.753  -3.493  -6.372
  163   2HD2  ASN  25          2HD2      ASN  25  -5.139  -4.111  -5.546
  164    H    CYS  26           HN       CYS  26  -1.218  -3.342  -1.946
  165    HA   CYS  26           HA       CYS  26   1.538  -2.630  -2.479
  166   1HB   CYS  26           HB2      CYS  26   2.081  -4.423  -0.882
  167   2HB   CYS  26           HB1      CYS  26   0.905  -3.295  -0.216
  168    H    ASN  27           HN       ASN  27   3.070  -3.954  -3.483
  169    HA   ASN  27           HA       ASN  27   1.976  -6.172  -5.074
  170   1HB   ASN  27           HB2      ASN  27   3.805  -3.947  -5.943
  171   2HB   ASN  27           HB1      ASN  27   3.705  -5.466  -6.828
  172   1HD2  ASN  27          1HD2      ASN  27   1.859  -2.693  -5.718
  173   2HD2  ASN  27          2HD2      ASN  27   0.639  -2.782  -6.938
  174    H    VAL  28           HN       VAL  28   5.246  -4.912  -4.896
  175    HA   VAL  28           HA       VAL  28   6.135  -7.159  -3.285
  176    HB   VAL  28           HB       VAL  28   6.193  -8.070  -5.559
  177   1HG1  VAL  28          1HG1      VAL  28   8.256  -6.844  -6.870
  178   2HG1  VAL  28          2HG1      VAL  28   7.412  -5.479  -6.139
  179   3HG1  VAL  28          3HG1      VAL  28   6.542  -6.588  -7.199
  180   1HG2  VAL  28          1HG2      VAL  28   8.141  -9.155  -5.215
  181   2HG2  VAL  28          2HG2      VAL  28   8.136  -8.254  -3.699
  182   3HG2  VAL  28          3HG2      VAL  28   9.070  -7.663  -5.073
  Start of MODEL    6
    1   1H    VAL   1           HT1      VAL   1 -10.476   2.465  -0.082
    2   2H    VAL   1           HT2      VAL   1  -9.894   3.667  -1.161
    3   3H    VAL   1           HT3      VAL   1 -10.891   4.110   0.164
    4    HA   VAL   1           HA       VAL   1  -9.257   3.567   1.706
    5    HB   VAL   1           HB       VAL   1  -7.023   2.758   0.961
    6   1HG1  VAL   1          1HG1      VAL   1  -9.193   0.826   0.181
    7   2HG1  VAL   1          2HG1      VAL   1  -8.860   1.275   1.853
    8   3HG1  VAL   1          3HG1      VAL   1  -7.621   0.467   0.893
    9   1HG2  VAL   1          1HG2      VAL   1  -7.218   3.464  -1.393
   10   2HG2  VAL   1          2HG2      VAL   1  -8.419   2.200  -1.654
   11   3HG2  VAL   1          3HG2      VAL   1  -6.762   1.768  -1.234
   12    H    GLY   2           HN       GLY   2  -7.144   4.758   2.036
   13   1HA   GLY   2           HA2      GLY   2  -7.012   7.100   0.239
   14   2HA   GLY   2           HA1      GLY   2  -6.971   7.266   1.987
   15    H    CYS   3           HN       CYS   3  -5.005   8.141   0.033
   16    HA   CYS   3           HA       CYS   3  -2.773   6.445  -0.066
   17   1HB   CYS   3           HB2      CYS   3  -3.241   9.359  -0.439
   18   2HB   CYS   3           HB1      CYS   3  -1.580   8.830  -0.192
   19    H    GLU   4           HN       GLU   4  -4.094   8.249   2.535
   20    HA   GLU   4           HA       GLU   4  -1.624   8.389   4.025
   21   1HB   GLU   4           HB2      GLU   4  -3.632  10.038   4.094
   22   2HB   GLU   4           HB1      GLU   4  -4.333   8.864   5.199
   23   1HG   GLU   4           HG2      GLU   4  -2.668   9.205   6.804
   24   2HG   GLU   4           HG1      GLU   4  -1.599  10.003   5.650
   25    H    GLU   5           HN       GLU   5  -3.520   5.918   3.295
   26    HA   GLU   5           HA       GLU   5  -2.968   4.539   5.823
   27   1HB   GLU   5           HB2      GLU   5  -5.492   4.521   4.198
   28   2HB   GLU   5           HB1      GLU   5  -5.082   3.162   5.235
   29   1HG   GLU   5           HG2      GLU   5  -4.880   5.764   6.549
   30   2HG   GLU   5           HG1      GLU   5  -6.503   5.356   5.993
   31    H    CYS   6           HN       CYS   6  -1.535   4.691   3.229
   32    HA   CYS   6           HA       CYS   6  -1.885   2.196   1.910
   33   1HB   CYS   6           HB2      CYS   6  -0.372   4.583   1.494
   34   2HB   CYS   6           HB1      CYS   6   0.701   3.194   1.360
   35    HA   PRO   7           HA       PRO   7   2.067   0.927   4.288
   36   1HB   PRO   7           HB2      PRO   7   3.014   2.585   6.203
   37   2HB   PRO   7           HB1      PRO   7   3.456   2.741   4.501
   38   1HG   PRO   7           HG2      PRO   7   1.528   4.335   6.113
   39   2HG   PRO   7           HG1      PRO   7   2.602   4.856   4.804
   40   1HD   PRO   7           HD2      PRO   7  -0.114   4.345   4.539
   41   2HD   PRO   7           HD1      PRO   7   1.044   4.370   3.202
   42    H    MET   8           HN       MET   8  -0.793   2.049   5.648
   43    HA   MET   8           HA       MET   8  -0.359   0.669   8.195
   44   1HB   MET   8           HB2      MET   8  -1.542   3.046   7.748
   45   2HB   MET   8           HB1      MET   8  -2.948   1.998   7.619
   46   1HG   MET   8           HG2      MET   8  -1.822   1.048   9.884
   47   2HG   MET   8           HG1      MET   8  -1.352   2.745   9.965
   48   1HE   MET   8           HE1      MET   8  -5.321   0.937  10.983
   49   2HE   MET   8           HE2      MET   8  -3.696   0.252  10.993
   50   3HE   MET   8           HE3      MET   8  -4.596   0.364   9.481
   51    H    HIS   9           HN       HIS   9  -2.152   0.507   5.210
   52    HA   HIS   9           HA       HIS   9  -3.911  -1.595   6.083
   53   1HB   HIS   9           HB2      HIS   9  -3.587   0.082   3.728
   54   2HB   HIS   9           HB1      HIS   9  -3.919  -1.590   3.296
   55    HD1  HIS   9           HD1      HIS   9  -5.957  -2.414   5.352
   56    HD2  HIS   9           HD2      HIS   9  -5.970   1.319   3.532
   57    HE1  HIS   9           HE1      HIS   9  -8.319  -1.574   5.559
   58    HE2  HIS   9           HE2      HIS   9  -8.281   0.726   4.533
   59    H    CYS  10           HN       CYS  10  -1.368  -1.468   3.581
   60    HA   CYS  10           HA       CYS  10  -1.075  -4.365   3.758
   61   1HB   CYS  10           HB2      CYS  10  -0.264  -2.271   1.791
   62   2HB   CYS  10           HB1      CYS  10   0.667  -3.764   1.851
   63    H    LYS  11           HN       LYS  11   0.476  -5.303   4.911
   64    HA   LYS  11           HA       LYS  11   3.069  -4.079   5.224
   65   1HB   LYS  11           HB2      LYS  11   3.055  -4.047   7.658
   66   2HB   LYS  11           HB1      LYS  11   1.793  -2.999   7.026
   67   1HG   LYS  11           HG2      LYS  11   0.440  -4.030   8.460
   68   2HG   LYS  11           HG1      LYS  11   0.488  -5.393   7.340
   69   1HD   LYS  11           HD2      LYS  11   2.444  -6.281   8.582
   70   2HD   LYS  11           HD1      LYS  11   2.262  -4.964   9.743
   71   1HE   LYS  11           HE2      LYS  11  -0.037  -5.766  10.215
   72   2HE   LYS  11           HE1      LYS  11   0.255  -7.134   9.141
   73   1HZ   LYS  11           HZ1      LYS  11   1.970  -7.921  10.577
   74   2HZ   LYS  11           HZ2      LYS  11   0.600  -7.631  11.526
   75   3HZ   LYS  11           HZ3      LYS  11   1.889  -6.535  11.545
   76    H    GLY  12           HN       GLY  12   4.417  -5.694   4.843
   77   1HA   GLY  12           HA2      GLY  12   3.992  -8.252   6.203
   78   2HA   GLY  12           HA1      GLY  12   4.153  -8.259   4.453
   79    H    LYS  13           HN       LYS  13   6.153  -8.023   3.529
   80    HA   LYS  13           HA       LYS  13   8.429  -7.267   5.097
   81   1HB   LYS  13           HB2      LYS  13   7.785  -9.880   5.288
   82   2HB   LYS  13           HB1      LYS  13   8.799  -9.923   3.854
   83   1HG   LYS  13           HG2      LYS  13  10.210 -10.365   5.691
   84   2HG   LYS  13           HG1      LYS  13  10.552  -8.708   5.190
   85   1HD   LYS  13           HD2      LYS  13   8.687  -8.166   6.989
   86   2HD   LYS  13           HD1      LYS  13   9.210  -9.719   7.644
   87   1HE   LYS  13           HE2      LYS  13  10.674  -8.368   8.740
   88   2HE   LYS  13           HE1      LYS  13  11.604  -8.637   7.267
   89   1HZ   LYS  13           HZ1      LYS  13  11.667  -6.347   7.601
   90   2HZ   LYS  13           HZ2      LYS  13  10.036  -6.254   8.039
   91   3HZ   LYS  13           HZ3      LYS  13  10.463  -6.540   6.428
   92    H    ASN  14           HN       ASN  14   7.212  -8.619   2.081
   93    HA   ASN  14           HA       ASN  14   9.168  -6.997   0.659
   94   1HB   ASN  14           HB2      ASN  14   9.125  -9.765   0.635
   95   2HB   ASN  14           HB1      ASN  14   8.247  -9.337  -0.830
   96   1HD2  ASN  14          1HD2      ASN  14  10.893 -10.568  -0.426
   97   2HD2  ASN  14          2HD2      ASN  14  12.003  -9.570  -1.297
   98    H    ALA  15           HN       ALA  15   6.531  -6.355   1.508
   99    HA   ALA  15           HA       ALA  15   5.249  -6.012  -1.114
  100   1HB   ALA  15           HB1      ALA  15   4.130  -7.090   1.377
  101   2HB   ALA  15           HB2      ALA  15   3.639  -7.351  -0.296
  102   3HB   ALA  15           HB3      ALA  15   3.124  -5.896   0.557
  103    H    LYS  16           HN       LYS  16   5.675  -3.926  -1.575
  104    HA   LYS  16           HA       LYS  16   5.356  -1.926   0.540
  105   1HB   LYS  16           HB2      LYS  16   7.459  -1.765  -0.594
  106   2HB   LYS  16           HB1      LYS  16   6.677  -1.791  -2.168
  107   1HG   LYS  16           HG2      LYS  16   5.652   0.386  -1.677
  108   2HG   LYS  16           HG1      LYS  16   6.484   0.410  -0.121
  109   1HD   LYS  16           HD2      LYS  16   8.066   0.022  -2.623
  110   2HD   LYS  16           HD1      LYS  16   7.508   1.640  -2.194
  111   1HE   LYS  16           HE2      LYS  16   9.648   1.474  -1.249
  112   2HE   LYS  16           HE1      LYS  16   8.539   1.209   0.095
  113   1HZ   LYS  16           HZ1      LYS  16  10.593  -0.382  -0.439
  114   2HZ   LYS  16           HZ2      LYS  16   9.396  -1.168  -1.339
  115   3HZ   LYS  16           HZ3      LYS  16   9.181  -0.922   0.321
  116    HA   PRO  17           HA       PRO  17   1.466  -0.753  -1.265
  117   1HB   PRO  17           HB2      PRO  17   0.997   1.454   0.201
  118   2HB   PRO  17           HB1      PRO  17   0.899  -0.169   0.896
  119   1HG   PRO  17           HG2      PRO  17   3.120   1.831   1.061
  120   2HG   PRO  17           HG1      PRO  17   2.451   0.796   2.335
  121   1HD   PRO  17           HD2      PRO  17   4.751   0.218   0.979
  122   2HD   PRO  17           HD1      PRO  17   3.691  -1.021   1.681
  123    H    THR  18           HN       THR  18   0.700   0.635  -2.816
  124    HA   THR  18           HA       THR  18   2.359   2.940  -3.533
  125    HB   THR  18           HB       THR  18   2.884   0.979  -4.993
  126    HG1  THR  18           HG1      THR  18   3.181   2.325  -6.590
  127   1HG2  THR  18          1HG2      THR  18   0.721   1.179  -6.777
  128   2HG2  THR  18          2HG2      THR  18   0.068   0.834  -5.177
  129   3HG2  THR  18          3HG2      THR  18   1.281  -0.233  -5.882
  130    H    CYS  19           HN       CYS  19   1.273   4.614  -4.685
  131    HA   CYS  19           HA       CYS  19  -1.629   4.590  -4.215
  132   1HB   CYS  19           HB2      CYS  19   0.449   6.718  -4.108
  133   2HB   CYS  19           HB1      CYS  19  -1.173   7.179  -4.611
  134    H    ASP  20           HN       ASP  20  -2.857   4.323  -5.949
  135    HA   ASP  20           HA       ASP  20  -1.971   5.443  -8.496
  136   1HB   ASP  20           HB2      ASP  20  -1.895   2.842  -8.158
  137   2HB   ASP  20           HB1      ASP  20  -3.631   2.963  -8.416
  138    H    ASP  21           HN       ASP  21  -3.271   7.187  -8.682
  139    HA   ASP  21           HA       ASP  21  -5.153   8.470  -8.782
  140   1HB   ASP  21           HB2      ASP  21  -5.937   5.839  -9.937
  141   2HB   ASP  21           HB1      ASP  21  -7.224   6.995  -9.606
  142    H    GLY  22           HN       GLY  22  -4.641   7.913  -6.247
  143   1HA   GLY  22           HA2      GLY  22  -5.591   7.965  -4.177
  144   2HA   GLY  22           HA1      GLY  22  -7.133   8.116  -4.990
  145    H    VAL  23           HN       VAL  23  -5.303   5.381  -5.899
  146    HA   VAL  23           HA       VAL  23  -6.952   3.681  -4.144
  147    HB   VAL  23           HB       VAL  23  -5.898   2.967  -6.881
  148   1HG1  VAL  23          1HG1      VAL  23  -7.341   1.031  -6.714
  149   2HG1  VAL  23          2HG1      VAL  23  -7.919   1.564  -5.136
  150   3HG1  VAL  23          3HG1      VAL  23  -6.238   1.072  -5.338
  151   1HG2  VAL  23          1HG2      VAL  23  -8.780   3.479  -6.239
  152   2HG2  VAL  23          2HG2      VAL  23  -7.980   3.439  -7.810
  153   3HG2  VAL  23          3HG2      VAL  23  -7.708   4.795  -6.717
  154    H    CYS  24           HN       CYS  24  -5.612   3.096  -2.526
  155    HA   CYS  24           HA       CYS  24  -2.817   2.676  -2.859
  156   1HB   CYS  24           HB2      CYS  24  -4.785   2.397  -0.655
  157   2HB   CYS  24           HB1      CYS  24  -3.312   1.443  -0.518
  158    H    ASN  25           HN       ASN  25  -1.658   0.811  -3.107
  159    HA   ASN  25           HA       ASN  25  -2.875  -1.774  -2.910
  160   1HB   ASN  25           HB2      ASN  25  -2.900  -0.434  -5.432
  161   2HB   ASN  25           HB1      ASN  25  -1.832  -1.828  -5.532
  162   1HD2  ASN  25          1HD2      ASN  25  -5.069  -0.826  -4.560
  163   2HD2  ASN  25          2HD2      ASN  25  -5.836  -2.332  -4.916
  164    H    CYS  26           HN       CYS  26  -1.382  -3.115  -2.192
  165    HA   CYS  26           HA       CYS  26   1.433  -2.372  -2.421
  166   1HB   CYS  26           HB2      CYS  26   1.787  -4.148  -0.710
  167   2HB   CYS  26           HB1      CYS  26   0.678  -2.887  -0.184
  168    H    ASN  27           HN       ASN  27   3.027  -3.794  -3.195
  169    HA   ASN  27           HA       ASN  27   2.097  -6.191  -4.588
  170   1HB   ASN  27           HB2      ASN  27   3.449  -3.826  -5.824
  171   2HB   ASN  27           HB1      ASN  27   3.727  -5.434  -6.486
  172   1HD2  ASN  27          1HD2      ASN  27   2.687  -3.914  -8.244
  173   2HD2  ASN  27          2HD2      ASN  27   0.984  -4.131  -8.438
  174    H    VAL  28           HN       VAL  28   5.208  -4.625  -4.926
  175    HA   VAL  28           HA       VAL  28   6.428  -6.843  -3.418
  176    HB   VAL  28           HB       VAL  28   7.710  -5.379  -5.724
  177   1HG1  VAL  28          1HG1      VAL  28   8.530  -7.562  -3.892
  178   2HG1  VAL  28          2HG1      VAL  28   9.487  -6.273  -4.621
  179   3HG1  VAL  28          3HG1      VAL  28   9.028  -7.681  -5.579
  180   1HG2  VAL  28          1HG2      VAL  28   6.513  -8.143  -5.789
  181   2HG2  VAL  28          2HG2      VAL  28   7.180  -7.222  -7.137
  182   3HG2  VAL  28          3HG2      VAL  28   5.678  -6.704  -6.373
  Start of MODEL    7
    1   1H    VAL   1           HT1      VAL   1  -7.611   1.542  -1.324
    2   2H    VAL   1           HT2      VAL   1  -9.255   1.780  -0.896
    3   3H    VAL   1           HT3      VAL   1  -8.450   0.332  -0.447
    4    HA   VAL   1           HA       VAL   1  -8.807   2.166   1.257
    5    HB   VAL   1           HB       VAL   1  -6.503   1.648   2.225
    6   1HG1  VAL   1          1HG1      VAL   1  -7.861  -0.889   1.450
    7   2HG1  VAL   1          2HG1      VAL   1  -8.752   0.307   2.391
    8   3HG1  VAL   1          3HG1      VAL   1  -7.251  -0.371   3.021
    9   1HG2  VAL   1          1HG2      VAL   1  -4.952   0.514   1.061
   10   2HG2  VAL   1          2HG2      VAL   1  -5.840   1.081  -0.353
   11   3HG2  VAL   1          3HG2      VAL   1  -6.148  -0.530   0.294
   12    H    GLY   2           HN       GLY   2  -7.311   3.766   2.355
   13   1HA   GLY   2           HA2      GLY   2  -6.835   5.930   0.570
   14   2HA   GLY   2           HA1      GLY   2  -6.440   5.895   2.282
   15    H    CYS   3           HN       CYS   3  -4.714   7.201   0.761
   16    HA   CYS   3           HA       CYS   3  -2.566   5.379  -0.008
   17   1HB   CYS   3           HB2      CYS   3  -3.305   8.156  -0.657
   18   2HB   CYS   3           HB1      CYS   3  -1.577   7.879  -0.472
   19    H    GLU   4           HN       GLU   4  -3.419   7.675   2.464
   20    HA   GLU   4           HA       GLU   4  -0.734   7.632   3.591
   21   1HB   GLU   4           HB2      GLU   4  -3.233   9.145   4.298
   22   2HB   GLU   4           HB1      GLU   4  -1.783   9.200   5.290
   23   1HG   GLU   4           HG2      GLU   4  -1.465  11.058   4.017
   24   2HG   GLU   4           HG1      GLU   4  -0.646   9.860   3.016
   25    H    GLU   5           HN       GLU   5  -3.189   5.590   3.660
   26    HA   GLU   5           HA       GLU   5  -2.585   4.703   6.387
   27   1HB   GLU   5           HB2      GLU   5  -5.286   4.918   5.080
   28   2HB   GLU   5           HB1      GLU   5  -4.999   3.856   6.451
   29   1HG   GLU   5           HG2      GLU   5  -4.788   5.575   7.922
   30   2HG   GLU   5           HG1      GLU   5  -4.163   6.687   6.705
   31    H    CYS   6           HN       CYS   6  -1.537   3.897   3.762
   32    HA   CYS   6           HA       CYS   6  -2.683   1.353   3.154
   33   1HB   CYS   6           HB2      CYS   6  -0.926   3.128   1.873
   34   2HB   CYS   6           HB1      CYS   6  -0.024   1.636   2.111
   35    HA   PRO   7           HA       PRO   7   1.692  -0.015   5.119
   36   1HB   PRO   7           HB2      PRO   7   1.550   2.142   7.182
   37   2HB   PRO   7           HB1      PRO   7   2.965   1.391   6.437
   38   1HG   PRO   7           HG2      PRO   7   2.135   3.818   5.685
   39   2HG   PRO   7           HG1      PRO   7   2.797   2.664   4.513
   40   1HD   PRO   7           HD2      PRO   7  -0.018   3.518   4.936
   41   2HD   PRO   7           HD1      PRO   7   0.781   2.959   3.459
   42    H    MET   8           HN       MET   8  -1.130   1.317   6.728
   43    HA   MET   8           HA       MET   8  -0.957  -0.512   8.956
   44   1HB   MET   8           HB2      MET   8  -2.070   1.926   8.716
   45   2HB   MET   8           HB1      MET   8  -3.487   0.932   8.407
   46   1HG   MET   8           HG2      MET   8  -3.472   0.017  10.526
   47   2HG   MET   8           HG1      MET   8  -1.768   0.383  10.784
   48   1HE   MET   8           HE1      MET   8  -5.395   1.491  11.411
   49   2HE   MET   8           HE2      MET   8  -5.091   2.246   9.846
   50   3HE   MET   8           HE3      MET   8  -5.321   3.248  11.278
   51    H    HIS   9           HN       HIS   9  -2.581  -0.337   5.877
   52    HA   HIS   9           HA       HIS   9  -4.311  -2.589   6.506
   53   1HB   HIS   9           HB2      HIS   9  -3.993  -0.924   4.003
   54   2HB   HIS   9           HB1      HIS   9  -5.129  -2.260   4.160
   55    HD1  HIS   9           HD1      HIS   9  -6.338  -1.699   6.891
   56    HD2  HIS   9           HD2      HIS   9  -5.603   1.257   4.065
   57    HE1  HIS   9           HE1      HIS   9  -7.890   0.191   7.476
   58    HE2  HIS   9           HE2      HIS   9  -7.484   1.936   5.704
   59    H    CYS  10           HN       CYS  10  -1.381  -1.885   4.741
   60    HA   CYS  10           HA       CYS  10  -1.110  -4.757   4.163
   61   1HB   CYS  10           HB2      CYS  10  -0.761  -2.429   2.322
   62   2HB   CYS  10           HB1      CYS  10   0.283  -3.831   2.116
   63    H    LYS  11           HN       LYS  11   0.621  -5.589   5.113
   64    HA   LYS  11           HA       LYS  11   2.500  -4.087   6.544
   65   1HB   LYS  11           HB2      LYS  11   3.776  -6.206   6.711
   66   2HB   LYS  11           HB1      LYS  11   2.072  -6.401   7.101
   67   1HG   LYS  11           HG2      LYS  11   2.599  -6.869   4.291
   68   2HG   LYS  11           HG1      LYS  11   3.552  -7.927   5.334
   69   1HD   LYS  11           HD2      LYS  11   1.499  -8.601   6.503
   70   2HD   LYS  11           HD1      LYS  11   0.557  -7.561   5.433
   71   1HE   LYS  11           HE2      LYS  11   0.312  -9.541   4.331
   72   2HE   LYS  11           HE1      LYS  11   1.799  -8.975   3.571
   73   1HZ   LYS  11           HZ1      LYS  11   2.950 -10.272   5.433
   74   2HZ   LYS  11           HZ2      LYS  11   2.268 -11.151   4.160
   75   3HZ   LYS  11           HZ3      LYS  11   1.462 -11.049   5.643
   76    H    GLY  12           HN       GLY  12   4.585  -3.430   6.119
   77   1HA   GLY  12           HA2      GLY  12   5.309  -3.409   3.265
   78   2HA   GLY  12           HA1      GLY  12   5.841  -2.229   4.453
   79    H    LYS  13           HN       LYS  13   5.899  -5.780   4.431
   80    HA   LYS  13           HA       LYS  13   8.789  -5.634   4.803
   81   1HB   LYS  13           HB2      LYS  13   7.555  -6.388   6.829
   82   2HB   LYS  13           HB1      LYS  13   6.951  -7.755   5.902
   83   1HG   LYS  13           HG2      LYS  13   8.731  -8.669   7.048
   84   2HG   LYS  13           HG1      LYS  13   9.449  -8.274   5.485
   85   1HD   LYS  13           HD2      LYS  13  10.520  -6.355   6.351
   86   2HD   LYS  13           HD1      LYS  13   9.556  -6.391   7.828
   87   1HE   LYS  13           HE2      LYS  13  10.722  -8.825   7.939
   88   2HE   LYS  13           HE1      LYS  13  11.973  -7.910   7.099
   89   1HZ   LYS  13           HZ1      LYS  13  11.745  -6.231   8.937
   90   2HZ   LYS  13           HZ2      LYS  13  12.424  -7.714   9.386
   91   3HZ   LYS  13           HZ3      LYS  13  10.813  -7.372   9.771
   92    H    ASN  14           HN       ASN  14   6.191  -7.028   3.058
   93    HA   ASN  14           HA       ASN  14   8.080  -8.298   1.281
   94   1HB   ASN  14           HB2      ASN  14   6.942  -9.938   3.025
   95   2HB   ASN  14           HB1      ASN  14   5.585  -9.820   1.908
   96   1HD2  ASN  14          1HD2      ASN  14   5.534 -11.543   0.673
   97   2HD2  ASN  14          2HD2      ASN  14   6.891 -12.299  -0.083
   98    H    ALA  15           HN       ALA  15   6.501  -5.898   1.304
   99    HA   ALA  15           HA       ALA  15   5.582  -5.871  -1.320
  100   1HB   ALA  15           HB1      ALA  15   3.075  -5.511  -0.684
  101   2HB   ALA  15           HB2      ALA  15   3.493  -6.505   0.711
  102   3HB   ALA  15           HB3      ALA  15   3.704  -7.142  -0.920
  103    H    LYS  16           HN       LYS  16   5.539  -3.804  -1.976
  104    HA   LYS  16           HA       LYS  16   5.438  -1.735   0.104
  105   1HB   LYS  16           HB2      LYS  16   7.505  -1.684  -1.104
  106   2HB   LYS  16           HB1      LYS  16   6.669  -1.729  -2.649
  107   1HG   LYS  16           HG2      LYS  16   5.699   0.500  -2.114
  108   2HG   LYS  16           HG1      LYS  16   6.714   0.538  -0.671
  109   1HD   LYS  16           HD2      LYS  16   8.545  -0.073  -2.577
  110   2HD   LYS  16           HD1      LYS  16   7.424   0.932  -3.498
  111   1HE   LYS  16           HE2      LYS  16   7.964   2.806  -2.360
  112   2HE   LYS  16           HE1      LYS  16   8.153   1.949  -0.831
  113   1HZ   LYS  16           HZ1      LYS  16  10.333   1.549  -1.219
  114   2HZ   LYS  16           HZ2      LYS  16  10.195   2.958  -2.144
  115   3HZ   LYS  16           HZ3      LYS  16  10.151   1.445  -2.898
  116    HA   PRO  17           HA       PRO  17   1.511  -0.501  -1.574
  117   1HB   PRO  17           HB2      PRO  17   1.214   1.810  -0.210
  118   2HB   PRO  17           HB1      PRO  17   1.042   0.228   0.560
  119   1HG   PRO  17           HG2      PRO  17   3.384   2.093   0.568
  120   2HG   PRO  17           HG1      PRO  17   2.693   1.160   1.908
  121   1HD   PRO  17           HD2      PRO  17   4.911   0.373   0.539
  122   2HD   PRO  17           HD1      PRO  17   3.777  -0.771   1.286
  123    H    THR  18           HN       THR  18   0.760   0.784  -3.196
  124    HA   THR  18           HA       THR  18   2.470   2.985  -4.110
  125    HB   THR  18           HB       THR  18   2.807   0.922  -5.484
  126    HG1  THR  18           HG1      THR  18   3.196   2.266  -7.030
  127   1HG2  THR  18          1HG2      THR  18   0.526   1.171  -7.131
  128   2HG2  THR  18          2HG2      THR  18  -0.004   0.886  -5.475
  129   3HG2  THR  18          3HG2      THR  18   1.108  -0.241  -6.249
  130    H    CYS  19           HN       CYS  19   1.401   4.652  -5.291
  131    HA   CYS  19           HA       CYS  19  -1.483   4.771  -4.712
  132   1HB   CYS  19           HB2      CYS  19   0.628   6.913  -4.854
  133   2HB   CYS  19           HB1      CYS  19  -1.086   7.300  -4.952
  134    H    ASP  20           HN       ASP  20  -2.764   4.579  -6.418
  135    HA   ASP  20           HA       ASP  20  -1.879   5.651  -8.985
  136   1HB   ASP  20           HB2      ASP  20  -1.897   3.049  -8.641
  137   2HB   ASP  20           HB1      ASP  20  -3.631   3.237  -8.868
  138    H    ASP  21           HN       ASP  21  -3.113   7.452  -9.121
  139    HA   ASP  21           HA       ASP  21  -4.947   8.803  -9.195
  140   1HB   ASP  21           HB2      ASP  21  -6.353   6.254 -10.021
  141   2HB   ASP  21           HB1      ASP  21  -6.897   7.899 -10.339
  142    H    GLY  22           HN       GLY  22  -4.438   8.225  -6.667
  143   1HA   GLY  22           HA2      GLY  22  -5.373   8.309  -4.592
  144   2HA   GLY  22           HA1      GLY  22  -6.916   8.498  -5.394
  145    H    VAL  23           HN       VAL  23  -5.218   5.717  -6.358
  146    HA   VAL  23           HA       VAL  23  -6.880   4.061  -4.574
  147    HB   VAL  23           HB       VAL  23  -5.850   3.306  -7.310
  148   1HG1  VAL  23          1HG1      VAL  23  -6.594   1.644  -5.314
  149   2HG1  VAL  23          2HG1      VAL  23  -6.786   1.275  -7.028
  150   3HG1  VAL  23          3HG1      VAL  23  -8.147   1.913  -6.105
  151   1HG2  VAL  23          1HG2      VAL  23  -8.561   4.316  -6.464
  152   2HG2  VAL  23          2HG2      VAL  23  -8.226   3.555  -8.020
  153   3HG2  VAL  23          3HG2      VAL  23  -7.441   5.076  -7.594
  154    H    CYS  24           HN       CYS  24  -5.543   3.455  -2.958
  155    HA   CYS  24           HA       CYS  24  -2.763   2.920  -3.366
  156   1HB   CYS  24           HB2      CYS  24  -4.160   3.650  -1.199
  157   2HB   CYS  24           HB1      CYS  24  -4.122   1.912  -0.924
  158    H    ASN  25           HN       ASN  25  -1.682   0.940  -3.241
  159    HA   ASN  25           HA       ASN  25  -3.117  -1.528  -3.021
  160   1HB   ASN  25           HB2      ASN  25  -2.765  -0.367  -5.609
  161   2HB   ASN  25           HB1      ASN  25  -1.821  -1.847  -5.505
  162   1HD2  ASN  25          1HD2      ASN  25  -5.031  -0.481  -5.132
  163   2HD2  ASN  25          2HD2      ASN  25  -5.893  -1.953  -5.408
  164    H    CYS  26           HN       CYS  26  -1.817  -2.916  -2.058
  165    HA   CYS  26           HA       CYS  26   1.056  -2.395  -2.027
  166   1HB   CYS  26           HB2      CYS  26   1.137  -3.923  -0.132
  167   2HB   CYS  26           HB1      CYS  26  -0.119  -2.717   0.124
  168    H    ASN  27           HN       ASN  27   2.434  -3.528  -3.224
  169    HA   ASN  27           HA       ASN  27   1.683  -6.234  -4.074
  170   1HB   ASN  27           HB2      ASN  27   2.411  -3.910  -5.776
  171   2HB   ASN  27           HB1      ASN  27   3.032  -5.489  -6.250
  172   1HD2  ASN  27          1HD2      ASN  27   0.306  -3.435  -6.091
  173   2HD2  ASN  27          2HD2      ASN  27  -0.830  -4.506  -6.831
  174    H    VAL  28           HN       VAL  28   4.481  -4.333  -4.996
  175    HA   VAL  28           HA       VAL  28   6.188  -5.898  -3.210
  176    HB   VAL  28           HB       VAL  28   6.171  -7.139  -5.322
  177   1HG1  VAL  28          1HG1      VAL  28   6.450  -6.239  -7.373
  178   2HG1  VAL  28          2HG1      VAL  28   7.606  -5.033  -6.806
  179   3HG1  VAL  28          3HG1      VAL  28   5.877  -4.777  -6.569
  180   1HG2  VAL  28          1HG2      VAL  28   8.468  -7.472  -5.466
  181   2HG2  VAL  28          2HG2      VAL  28   8.266  -6.778  -3.857
  182   3HG2  VAL  28          3HG2      VAL  28   8.832  -5.769  -5.189
  Start of MODEL    8
    1   1H    VAL   1           HT1      VAL   1  -9.355   6.441  -1.827
    2   2H    VAL   1           HT2      VAL   1  -9.818   4.826  -1.476
    3   3H    VAL   1           HT3      VAL   1  -8.261   5.154  -2.118
    4    HA   VAL   1           HA       VAL   1  -9.295   5.982   0.508
    5    HB   VAL   1           HB       VAL   1  -7.488   4.488   1.356
    6   1HG1  VAL   1          1HG1      VAL   1  -9.964   3.859   1.012
    7   2HG1  VAL   1          2HG1      VAL   1  -8.802   2.569   1.322
    8   3HG1  VAL   1          3HG1      VAL   1  -9.369   2.868  -0.321
    9   1HG2  VAL   1          1HG2      VAL   1  -6.150   4.455  -0.722
   10   2HG2  VAL   1          2HG2      VAL   1  -7.398   3.467  -1.481
   11   3HG2  VAL   1          3HG2      VAL   1  -6.494   2.839  -0.104
   12    H    GLY   2           HN       GLY   2  -7.413   6.686   1.910
   13   1HA   GLY   2           HA2      GLY   2  -6.170   8.929   0.720
   14   2HA   GLY   2           HA1      GLY   2  -5.827   8.296   2.323
   15    H    CYS   3           HN       CYS   3  -3.845   9.384   0.716
   16    HA   CYS   3           HA       CYS   3  -2.406   7.181  -0.517
   17   1HB   CYS   3           HB2      CYS   3  -2.194  10.126  -0.503
   18   2HB   CYS   3           HB1      CYS   3  -0.660   9.266  -0.580
   19    H    GLU   4           HN       GLU   4  -2.354   9.079   2.411
   20    HA   GLU   4           HA       GLU   4   0.186   7.948   3.252
   21   1HB   GLU   4           HB2      GLU   4  -0.685  10.370   3.669
   22   2HB   GLU   4           HB1      GLU   4  -1.567   9.627   4.996
   23   1HG   GLU   4           HG2      GLU   4   0.868   8.636   5.487
   24   2HG   GLU   4           HG1      GLU   4   1.322  10.140   4.686
   25    H    GLU   5           HN       GLU   5  -2.786   6.782   3.139
   26    HA   GLU   5           HA       GLU   5  -2.609   5.393   5.718
   27   1HB   GLU   5           HB2      GLU   5  -4.956   6.123   3.994
   28   2HB   GLU   5           HB1      GLU   5  -5.076   4.831   5.180
   29   1HG   GLU   5           HG2      GLU   5  -4.081   7.529   5.987
   30   2HG   GLU   5           HG1      GLU   5  -5.809   7.225   5.818
   31    H    CYS   6           HN       CYS   6  -1.342   4.801   3.000
   32    HA   CYS   6           HA       CYS   6  -2.577   2.360   2.166
   33   1HB   CYS   6           HB2      CYS   6  -0.428   4.077   1.224
   34   2HB   CYS   6           HB1      CYS   6  -0.056   2.366   1.044
   35    HA   PRO   7           HA       PRO   7   1.687   0.690   4.142
   36   1HB   PRO   7           HB2      PRO   7   1.560   2.693   6.355
   37   2HB   PRO   7           HB1      PRO   7   2.969   1.947   5.593
   38   1HG   PRO   7           HG2      PRO   7   2.248   4.452   5.004
   39   2HG   PRO   7           HG1      PRO   7   2.900   3.364   3.766
   40   1HD   PRO   7           HD2      PRO   7   0.105   4.285   4.186
   41   2HD   PRO   7           HD1      PRO   7   0.924   3.818   2.688
   42    H    MET   8           HN       MET   8  -1.136   2.005   5.758
   43    HA   MET   8           HA       MET   8  -1.109   0.137   7.927
   44   1HB   MET   8           HB2      MET   8  -2.237   2.455   7.825
   45   2HB   MET   8           HB1      MET   8  -3.539   1.633   6.975
   46   1HG   MET   8           HG2      MET   8  -3.352   0.007   9.065
   47   2HG   MET   8           HG1      MET   8  -2.721   1.472   9.814
   48   1HE   MET   8           HE1      MET   8  -5.452   1.031   6.995
   49   2HE   MET   8           HE2      MET   8  -6.926   1.060   7.962
   50   3HE   MET   8           HE3      MET   8  -5.784  -0.272   8.136
   51    H    HIS   9           HN       HIS   9  -2.458   0.206   4.713
   52    HA   HIS   9           HA       HIS   9  -4.311  -1.925   5.086
   53   1HB   HIS   9           HB2      HIS   9  -3.287  -0.334   2.817
   54   2HB   HIS   9           HB1      HIS   9  -3.846  -1.953   2.412
   55    HD1  HIS   9           HD1      HIS   9  -6.307  -2.240   4.129
   56    HD2  HIS   9           HD2      HIS   9  -5.345   1.270   2.129
   57    HE1  HIS   9           HE1      HIS   9  -8.478  -0.997   3.873
   58    HE2  HIS   9           HE2      HIS   9  -7.859   1.160   2.727
   59    H    CYS  10           HN       CYS  10  -1.575  -2.008   2.823
   60    HA   CYS  10           HA       CYS  10  -1.270  -4.849   3.305
   61   1HB   CYS  10           HB2      CYS  10  -1.047  -3.412   1.049
   62   2HB   CYS  10           HB1      CYS  10   0.640  -3.398   1.552
   63    H    LYS  11           HN       LYS  11   0.282  -5.797   4.481
   64    HA   LYS  11           HA       LYS  11   2.752  -4.444   5.107
   65   1HB   LYS  11           HB2      LYS  11   0.682  -4.992   7.229
   66   2HB   LYS  11           HB1      LYS  11   2.387  -4.781   7.603
   67   1HG   LYS  11           HG2      LYS  11   2.059  -2.562   6.215
   68   2HG   LYS  11           HG1      LYS  11   0.378  -2.791   6.703
   69   1HD   LYS  11           HD2      LYS  11   1.127  -1.567   8.481
   70   2HD   LYS  11           HD1      LYS  11   1.498  -3.189   9.067
   71   1HE   LYS  11           HE2      LYS  11   3.460  -1.440   7.593
   72   2HE   LYS  11           HE1      LYS  11   3.343  -1.520   9.350
   73   1HZ   LYS  11           HZ1      LYS  11   5.056  -2.989   8.672
   74   2HZ   LYS  11           HZ2      LYS  11   4.079  -3.715   7.498
   75   3HZ   LYS  11           HZ3      LYS  11   3.747  -3.955   9.138
   76    H    GLY  12           HN       GLY  12   4.241  -5.961   4.849
   77   1HA   GLY  12           HA2      GLY  12   3.822  -8.591   6.057
   78   2HA   GLY  12           HA1      GLY  12   4.156  -8.524   4.334
   79    H    LYS  13           HN       LYS  13   6.219  -8.083   3.619
   80    HA   LYS  13           HA       LYS  13   8.285  -7.263   5.407
   81   1HB   LYS  13           HB2      LYS  13   7.764 -10.068   5.059
   82   2HB   LYS  13           HB1      LYS  13   9.354  -9.675   4.421
   83   1HG   LYS  13           HG2      LYS  13   9.837  -8.541   6.612
   84   2HG   LYS  13           HG1      LYS  13   8.333  -9.241   7.214
   85   1HD   LYS  13           HD2      LYS  13  10.130 -10.682   7.862
   86   2HD   LYS  13           HD1      LYS  13   9.218 -11.491   6.585
   87   1HE   LYS  13           HE2      LYS  13  11.468  -9.807   5.693
   88   2HE   LYS  13           HE1      LYS  13  11.905 -11.254   6.600
   89   1HZ   LYS  13           HZ1      LYS  13  10.106 -12.241   4.897
   90   2HZ   LYS  13           HZ2      LYS  13  11.769 -12.210   4.589
   91   3HZ   LYS  13           HZ3      LYS  13  10.768 -11.007   3.946
   92    H    ASN  14           HN       ASN  14   7.382  -8.583   2.284
   93    HA   ASN  14           HA       ASN  14   9.403  -6.886   1.063
   94   1HB   ASN  14           HB2      ASN  14   8.962  -9.791   0.689
   95   2HB   ASN  14           HB1      ASN  14   9.224  -8.855  -0.780
   96   1HD2  ASN  14          1HD2      ASN  14  10.891 -10.885   0.510
   97   2HD2  ASN  14          2HD2      ASN  14  12.420 -10.131   0.789
   98    H    ALA  15           HN       ALA  15   6.652  -6.438   1.666
   99    HA   ALA  15           HA       ALA  15   5.696  -5.925  -1.047
  100   1HB   ALA  15           HB1      ALA  15   4.247  -7.629  -0.785
  101   2HB   ALA  15           HB2      ALA  15   3.339  -6.444   0.154
  102   3HB   ALA  15           HB3      ALA  15   4.380  -7.608   0.973
  103    H    LYS  16           HN       LYS  16   5.621  -3.767  -1.150
  104    HA   LYS  16           HA       LYS  16   4.635  -2.298   1.200
  105   1HB   LYS  16           HB2      LYS  16   6.874  -1.640   0.661
  106   2HB   LYS  16           HB1      LYS  16   6.464  -1.430  -1.035
  107   1HG   LYS  16           HG2      LYS  16   5.026   0.456  -0.457
  108   2HG   LYS  16           HG1      LYS  16   5.425   0.238   1.248
  109   1HD   LYS  16           HD2      LYS  16   7.032   1.755   0.831
  110   2HD   LYS  16           HD1      LYS  16   7.901   0.384   0.140
  111   1HE   LYS  16           HE2      LYS  16   6.010   1.739  -1.666
  112   2HE   LYS  16           HE1      LYS  16   7.411   2.692  -1.178
  113   1HZ   LYS  16           HZ1      LYS  16   8.344   1.638  -2.916
  114   2HZ   LYS  16           HZ2      LYS  16   7.271   0.332  -2.866
  115   3HZ   LYS  16           HZ3      LYS  16   8.581   0.390  -1.798
  116    HA   PRO  17           HA       PRO  17   1.100  -1.253  -1.283
  117   1HB   PRO  17           HB2      PRO  17  -0.065   0.493   0.392
  118   2HB   PRO  17           HB1      PRO  17  -0.017  -1.240   0.736
  119   1HG   PRO  17           HG2      PRO  17   1.702   0.956   1.820
  120   2HG   PRO  17           HG1      PRO  17   0.984  -0.427   2.667
  121   1HD   PRO  17           HD2      PRO  17   3.594  -0.336   1.827
  122   2HD   PRO  17           HD1      PRO  17   2.675  -1.839   2.043
  123    H    THR  18           HN       THR  18   0.479   0.321  -2.706
  124    HA   THR  18           HA       THR  18   1.779   2.937  -2.528
  125    HB   THR  18           HB       THR  18   2.828   1.161  -4.173
  126    HG1  THR  18           HG1      THR  18   2.350   3.881  -4.803
  127   1HG2  THR  18          1HG2      THR  18   0.725   2.443  -5.883
  128   2HG2  THR  18          2HG2      THR  18   0.767   0.744  -5.419
  129   3HG2  THR  18          3HG2      THR  18   2.044   1.413  -6.436
  130    H    CYS  19           HN       CYS  19   0.445   4.605  -2.866
  131    HA   CYS  19           HA       CYS  19  -2.316   4.037  -3.491
  132   1HB   CYS  19           HB2      CYS  19  -2.783   6.232  -2.725
  133   2HB   CYS  19           HB1      CYS  19  -1.532   5.600  -1.662
  134    H    ASP  20           HN       ASP  20  -3.222   4.234  -5.419
  135    HA   ASP  20           HA       ASP  20  -1.990   5.972  -7.412
  136   1HB   ASP  20           HB2      ASP  20  -1.635   3.377  -7.618
  137   2HB   ASP  20           HB1      ASP  20  -3.281   3.412  -8.236
  138    H    ASP  21           HN       ASP  21  -3.466   7.588  -7.499
  139    HA   ASP  21           HA       ASP  21  -5.456   8.677  -7.734
  140   1HB   ASP  21           HB2      ASP  21  -6.043   6.231  -9.418
  141   2HB   ASP  21           HB1      ASP  21  -7.002   7.708  -9.428
  142    H    GLY  22           HN       GLY  22  -5.399   7.604  -5.327
  143   1HA   GLY  22           HA2      GLY  22  -6.755   7.087  -3.571
  144   2HA   GLY  22           HA1      GLY  22  -8.100   7.213  -4.684
  145    H    VAL  23           HN       VAL  23  -5.715   5.012  -5.694
  146    HA   VAL  23           HA       VAL  23  -7.306   2.761  -4.650
  147    HB   VAL  23           HB       VAL  23  -5.793   2.842  -7.261
  148   1HG1  VAL  23          1HG1      VAL  23  -6.286   0.668  -7.545
  149   2HG1  VAL  23          2HG1      VAL  23  -7.891   0.837  -6.835
  150   3HG1  VAL  23          3HG1      VAL  23  -6.481   0.657  -5.792
  151   1HG2  VAL  23          1HG2      VAL  23  -8.181   2.728  -8.201
  152   2HG2  VAL  23          2HG2      VAL  23  -7.591   4.284  -7.619
  153   3HG2  VAL  23          3HG2      VAL  23  -8.682   3.325  -6.619
  154    H    CYS  24           HN       CYS  24  -6.054   2.206  -2.907
  155    HA   CYS  24           HA       CYS  24  -3.211   2.118  -2.974
  156   1HB   CYS  24           HB2      CYS  24  -4.742   2.346  -0.923
  157   2HB   CYS  24           HB1      CYS  24  -4.934   0.599  -1.024
  158    H    ASN  25           HN       ASN  25  -1.829   0.455  -3.349
  159    HA   ASN  25           HA       ASN  25  -2.727  -2.264  -3.568
  160   1HB   ASN  25           HB2      ASN  25  -1.957  -2.490  -5.961
  161   2HB   ASN  25           HB1      ASN  25  -3.454  -1.590  -5.742
  162   1HD2  ASN  25          1HD2      ASN  25  -0.973  -1.634  -7.646
  163   2HD2  ASN  25          2HD2      ASN  25  -0.672   0.049  -7.894
  164    H    CYS  26           HN       CYS  26  -1.134  -3.465  -2.796
  165    HA   CYS  26           HA       CYS  26   1.580  -2.382  -2.761
  166   1HB   CYS  26           HB2      CYS  26   2.020  -4.260  -1.156
  167   2HB   CYS  26           HB1      CYS  26   0.794  -3.117  -0.616
  168    H    ASN  27           HN       ASN  27   3.388  -3.583  -3.442
  169    HA   ASN  27           HA       ASN  27   2.790  -5.831  -5.240
  170   1HB   ASN  27           HB2      ASN  27   4.545  -3.439  -5.745
  171   2HB   ASN  27           HB1      ASN  27   4.710  -4.932  -6.666
  172   1HD2  ASN  27          1HD2      ASN  27   2.940  -2.051  -6.221
  173   2HD2  ASN  27          2HD2      ASN  27   1.777  -2.299  -7.475
  174    H    VAL  28           HN       VAL  28   5.864  -4.306  -4.520
  175    HA   VAL  28           HA       VAL  28   6.703  -6.748  -3.106
  176    HB   VAL  28           HB       VAL  28   8.501  -5.140  -4.919
  177   1HG1  VAL  28          1HG1      VAL  28   9.988  -6.262  -3.638
  178   2HG1  VAL  28          2HG1      VAL  28   9.613  -7.576  -4.753
  179   3HG1  VAL  28          3HG1      VAL  28   8.823  -7.503  -3.178
  180   1HG2  VAL  28          1HG2      VAL  28   6.577  -6.285  -6.103
  181   2HG2  VAL  28          2HG2      VAL  28   7.286  -7.812  -5.577
  182   3HG2  VAL  28          3HG2      VAL  28   8.197  -6.735  -6.636
  Start of MODEL    9
    1   1H    VAL   1           HT1      VAL   1 -10.205   2.599   0.325
    2   2H    VAL   1           HT2      VAL   1 -10.406   2.712   2.026
    3   3H    VAL   1           HT3      VAL   1 -10.146   1.184   1.289
    4    HA   VAL   1           HA       VAL   1  -8.240   2.330   2.465
    5    HB   VAL   1           HB       VAL   1  -6.640   1.467   0.774
    6   1HG1  VAL   1          1HG1      VAL   1  -8.904  -0.482   1.024
    7   2HG1  VAL   1          2HG1      VAL   1  -7.985   0.042   2.436
    8   3HG1  VAL   1          3HG1      VAL   1  -7.168  -0.780   1.106
    9   1HG2  VAL   1          1HG2      VAL   1  -9.107   1.459  -0.898
   10   2HG2  VAL   1          2HG2      VAL   1  -7.894   0.206  -1.160
   11   3HG2  VAL   1          3HG2      VAL   1  -7.455   1.906  -1.326
   12    H    GLY   2           HN       GLY   2  -6.794   3.981   2.425
   13   1HA   GLY   2           HA2      GLY   2  -7.121   5.956   0.250
   14   2HA   GLY   2           HA1      GLY   2  -6.822   6.397   1.924
   15    H    CYS   3           HN       CYS   3  -5.058   7.647   0.894
   16    HA   CYS   3           HA       CYS   3  -2.741   6.000   0.171
   17   1HB   CYS   3           HB2      CYS   3  -3.606   8.769  -0.457
   18   2HB   CYS   3           HB1      CYS   3  -1.875   8.502  -0.288
   19    H    GLU   4           HN       GLU   4  -3.954   8.169   2.599
   20    HA   GLU   4           HA       GLU   4  -1.378   8.521   3.858
   21   1HB   GLU   4           HB2      GLU   4  -3.556  10.083   3.802
   22   2HB   GLU   4           HB1      GLU   4  -3.867   9.218   5.299
   23   1HG   GLU   4           HG2      GLU   4  -2.404  10.460   6.400
   24   2HG   GLU   4           HG1      GLU   4  -1.142  10.119   5.217
   25    H    GLU   5           HN       GLU   5  -3.333   5.995   3.686
   26    HA   GLU   5           HA       GLU   5  -2.465   4.956   6.273
   27   1HB   GLU   5           HB2      GLU   5  -5.282   5.033   5.242
   28   2HB   GLU   5           HB1      GLU   5  -4.771   3.758   6.338
   29   1HG   GLU   5           HG2      GLU   5  -4.556   5.172   8.112
   30   2HG   GLU   5           HG1      GLU   5  -4.197   6.569   7.098
   31    H    CYS   6           HN       CYS   6  -1.516   4.583   3.554
   32    HA   CYS   6           HA       CYS   6  -2.409   2.138   2.497
   33   1HB   CYS   6           HB2      CYS   6  -0.154   3.964   2.017
   34   2HB   CYS   6           HB1      CYS   6   0.123   2.288   1.554
   35    HA   PRO   7           HA       PRO   7   1.719   0.456   4.741
   36   1HB   PRO   7           HB2      PRO   7   1.240   2.190   7.126
   37   2HB   PRO   7           HB1      PRO   7   2.764   1.602   6.450
   38   1HG   PRO   7           HG2      PRO   7   1.958   4.121   6.057
   39   2HG   PRO   7           HG1      PRO   7   2.808   3.214   4.794
   40   1HD   PRO   7           HD2      PRO   7  -0.065   3.951   4.977
   41   2HD   PRO   7           HD1      PRO   7   0.941   3.682   3.547
   42    H    MET   8           HN       MET   8  -0.923   1.668   6.819
   43    HA   MET   8           HA       MET   8  -1.099  -0.669   8.392
   44   1HB   MET   8           HB2      MET   8  -1.998   1.683   8.898
   45   2HB   MET   8           HB1      MET   8  -3.384   1.232   7.915
   46   1HG   MET   8           HG2      MET   8  -3.482  -0.836   9.488
   47   2HG   MET   8           HG1      MET   8  -2.515   0.174  10.562
   48   1HE   MET   8           HE1      MET   8  -6.614   0.008   9.270
   49   2HE   MET   8           HE2      MET   8  -5.280   0.216   8.136
   50   3HE   MET   8           HE3      MET   8  -6.272   1.600   8.593
   51    H    HIS   9           HN       HIS   9  -2.510   0.243   5.339
   52    HA   HIS   9           HA       HIS   9  -4.508  -1.813   5.329
   53   1HB   HIS   9           HB2      HIS   9  -3.440   0.098   3.271
   54   2HB   HIS   9           HB1      HIS   9  -4.525  -1.208   2.803
   55    HD1  HIS   9           HD1      HIS   9  -6.516  -1.106   5.137
   56    HD2  HIS   9           HD2      HIS   9  -5.095   2.252   3.144
   57    HE1  HIS   9           HE1      HIS   9  -8.243   0.682   5.516
   58    HE2  HIS   9           HE2      HIS   9  -7.321   2.729   4.373
   59    H    CYS  10           HN       CYS  10  -1.193  -1.524   4.265
   60    HA   CYS  10           HA       CYS  10  -1.171  -4.388   3.689
   61   1HB   CYS  10           HB2      CYS  10  -0.479  -2.211   1.751
   62   2HB   CYS  10           HB1      CYS  10   0.380  -3.745   1.673
   63    H    LYS  11           HN       LYS  11   0.545  -5.364   4.558
   64    HA   LYS  11           HA       LYS  11   2.358  -4.044   6.210
   65   1HB   LYS  11           HB2      LYS  11   2.549  -6.757   4.895
   66   2HB   LYS  11           HB1      LYS  11   3.653  -6.193   6.141
   67   1HG   LYS  11           HG2      LYS  11   0.814  -5.980   6.838
   68   2HG   LYS  11           HG1      LYS  11   1.400  -7.627   6.598
   69   1HD   LYS  11           HD2      LYS  11   1.690  -7.105   8.903
   70   2HD   LYS  11           HD1      LYS  11   3.290  -7.078   8.158
   71   1HE   LYS  11           HE2      LYS  11   1.867  -4.506   8.154
   72   2HE   LYS  11           HE1      LYS  11   2.295  -5.117   9.752
   73   1HZ   LYS  11           HZ1      LYS  11   3.944  -3.690   8.237
   74   2HZ   LYS  11           HZ2      LYS  11   4.387  -5.244   7.741
   75   3HZ   LYS  11           HZ3      LYS  11   4.480  -4.821   9.376
   76    H    GLY  12           HN       GLY  12   4.731  -3.949   5.999
   77   1HA   GLY  12           HA2      GLY  12   5.543  -3.436   3.205
   78   2HA   GLY  12           HA1      GLY  12   6.003  -2.372   4.525
   79    H    LYS  13           HN       LYS  13   6.011  -5.908   4.212
   80    HA   LYS  13           HA       LYS  13   8.886  -5.856   4.702
   81   1HB   LYS  13           HB2      LYS  13   6.752  -7.423   6.039
   82   2HB   LYS  13           HB1      LYS  13   8.285  -8.234   5.755
   83   1HG   LYS  13           HG2      LYS  13   9.077  -5.839   6.819
   84   2HG   LYS  13           HG1      LYS  13   7.582  -6.175   7.694
   85   1HD   LYS  13           HD2      LYS  13   9.913  -8.072   7.415
   86   2HD   LYS  13           HD1      LYS  13   9.556  -7.094   8.840
   87   1HE   LYS  13           HE2      LYS  13   7.878  -8.446   9.507
   88   2HE   LYS  13           HE1      LYS  13   7.333  -8.753   7.859
   89   1HZ   LYS  13           HZ1      LYS  13   8.539 -10.575   9.365
   90   2HZ   LYS  13           HZ2      LYS  13   9.891  -9.918   8.590
   91   3HZ   LYS  13           HZ3      LYS  13   8.626 -10.569   7.675
   92    H    ASN  14           HN       ASN  14   6.253  -7.211   2.949
   93    HA   ASN  14           HA       ASN  14   8.129  -8.484   1.156
   94   1HB   ASN  14           HB2      ASN  14   6.725 -10.035   2.926
   95   2HB   ASN  14           HB1      ASN  14   5.651 -10.028   1.531
   96   1HD2  ASN  14          1HD2      ASN  14   6.257 -12.369   1.730
   97   2HD2  ASN  14          2HD2      ASN  14   7.637 -12.898   0.835
   98    H    ALA  15           HN       ALA  15   6.607  -6.049   1.198
   99    HA   ALA  15           HA       ALA  15   5.656  -6.030  -1.432
  100   1HB   ALA  15           HB1      ALA  15   3.810  -7.278   0.013
  101   2HB   ALA  15           HB2      ALA  15   3.392  -6.217  -1.332
  102   3HB   ALA  15           HB3      ALA  15   3.307  -5.617   0.324
  103    H    LYS  16           HN       LYS  16   5.773  -3.990  -2.141
  104    HA   LYS  16           HA       LYS  16   6.007  -1.868  -0.148
  105   1HB   LYS  16           HB2      LYS  16   7.840  -1.941  -1.671
  106   2HB   LYS  16           HB1      LYS  16   6.767  -2.016  -3.061
  107   1HG   LYS  16           HG2      LYS  16   6.001   0.274  -2.548
  108   2HG   LYS  16           HG1      LYS  16   7.166   0.337  -1.224
  109   1HD   LYS  16           HD2      LYS  16   8.955   0.516  -2.625
  110   2HD   LYS  16           HD1      LYS  16   8.185  -0.425  -3.904
  111   1HE   LYS  16           HE2      LYS  16   6.602   1.602  -4.127
  112   2HE   LYS  16           HE1      LYS  16   7.840   2.473  -3.223
  113   1HZ   LYS  16           HZ1      LYS  16   8.565   0.921  -5.622
  114   2HZ   LYS  16           HZ2      LYS  16   9.367   2.234  -4.921
  115   3HZ   LYS  16           HZ3      LYS  16   7.929   2.481  -5.777
  116    HA   PRO  17           HA       PRO  17   1.916  -0.452  -1.176
  117   1HB   PRO  17           HB2      PRO  17   1.971   1.889   0.170
  118   2HB   PRO  17           HB1      PRO  17   1.838   0.329   0.988
  119   1HG   PRO  17           HG2      PRO  17   4.250   2.055   0.583
  120   2HG   PRO  17           HG1      PRO  17   3.735   1.177   2.035
  121   1HD   PRO  17           HD2      PRO  17   5.656   0.250   0.345
  122   2HD   PRO  17           HD1      PRO  17   4.594  -0.820   1.282
  123    H    THR  18           HN       THR  18   0.980   0.848  -2.685
  124    HA   THR  18           HA       THR  18   2.552   3.027  -3.835
  125    HB   THR  18           HB       THR  18   2.902   0.966  -5.193
  126    HG1  THR  18           HG1      THR  18   2.717   2.061  -7.070
  127   1HG2  THR  18          1HG2      THR  18   0.094   0.779  -4.968
  128   2HG2  THR  18          2HG2      THR  18   1.219  -0.330  -5.750
  129   3HG2  THR  18          3HG2      THR  18   0.506   0.997  -6.667
  130    H    CYS  19           HN       CYS  19   1.319   4.595  -4.998
  131    HA   CYS  19           HA       CYS  19  -1.548   4.542  -4.319
  132   1HB   CYS  19           HB2      CYS  19   0.496   6.694  -4.089
  133   2HB   CYS  19           HB1      CYS  19  -1.146   7.160  -4.517
  134    H    ASP  20           HN       ASP  20  -2.822   4.430  -6.036
  135    HA   ASP  20           HA       ASP  20  -1.980   5.725  -8.514
  136   1HB   ASP  20           HB2      ASP  20  -1.913   3.106  -8.365
  137   2HB   ASP  20           HB1      ASP  20  -3.654   3.253  -8.576
  138    H    ASP  21           HN       ASP  21  -3.274   7.482  -8.553
  139    HA   ASP  21           HA       ASP  21  -5.149   8.779  -8.520
  140   1HB   ASP  21           HB2      ASP  21  -5.977   6.239  -9.841
  141   2HB   ASP  21           HB1      ASP  21  -7.244   7.384  -9.411
  142    H    GLY  22           HN       GLY  22  -4.593   8.038  -6.042
  143   1HA   GLY  22           HA2      GLY  22  -5.503   7.945  -3.956
  144   2HA   GLY  22           HA1      GLY  22  -7.060   8.160  -4.726
  145    H    VAL  23           HN       VAL  23  -5.253   5.490  -5.855
  146    HA   VAL  23           HA       VAL  23  -6.877   3.675  -4.196
  147    HB   VAL  23           HB       VAL  23  -5.889   3.160  -7.001
  148   1HG1  VAL  23          1HG1      VAL  23  -6.712   1.075  -6.843
  149   2HG1  VAL  23          2HG1      VAL  23  -8.115   1.592  -5.907
  150   3HG1  VAL  23          3HG1      VAL  23  -6.566   1.333  -5.104
  151   1HG2  VAL  23          1HG2      VAL  23  -8.625   3.974  -6.028
  152   2HG2  VAL  23          2HG2      VAL  23  -8.264   3.407  -7.659
  153   3HG2  VAL  23          3HG2      VAL  23  -7.549   4.907  -7.068
  154    H    CYS  24           HN       CYS  24  -5.503   2.973  -2.653
  155    HA   CYS  24           HA       CYS  24  -2.736   2.681  -2.892
  156   1HB   CYS  24           HB2      CYS  24  -4.201   2.696  -0.773
  157   2HB   CYS  24           HB1      CYS  24  -4.413   0.973  -1.063
  158    H    ASN  25           HN       ASN  25  -1.439   0.739  -2.958
  159    HA   ASN  25           HA       ASN  25  -2.602  -1.720  -3.853
  160   1HB   ASN  25           HB2      ASN  25  -1.774   0.208  -5.799
  161   2HB   ASN  25           HB1      ASN  25  -0.738  -1.210  -5.902
  162   1HD2  ASN  25          1HD2      ASN  25  -1.607  -3.169  -6.517
  163   2HD2  ASN  25          2HD2      ASN  25  -3.180  -3.310  -7.218
  164    H    CYS  26           HN       CYS  26  -1.423  -3.297  -3.045
  165    HA   CYS  26           HA       CYS  26   1.455  -2.845  -2.607
  166   1HB   CYS  26           HB2      CYS  26   1.318  -4.143  -0.550
  167   2HB   CYS  26           HB1      CYS  26   0.201  -2.785  -0.478
  168    H    ASN  27           HN       ASN  27   2.744  -4.278  -3.568
  169    HA   ASN  27           HA       ASN  27   1.645  -6.915  -4.258
  170   1HB   ASN  27           HB2      ASN  27   3.185  -5.004  -5.984
  171   2HB   ASN  27           HB1      ASN  27   3.203  -6.734  -6.313
  172   1HD2  ASN  27          1HD2      ASN  27   1.291  -3.841  -6.267
  173   2HD2  ASN  27          2HD2      ASN  27  -0.051  -4.469  -7.156
  174    H    VAL  28           HN       VAL  28   4.834  -5.602  -4.886
  175    HA   VAL  28           HA       VAL  28   5.973  -7.381  -2.847
  176    HB   VAL  28           HB       VAL  28   7.141  -7.141  -5.619
  177   1HG1  VAL  28          1HG1      VAL  28   8.896  -8.213  -4.785
  178   2HG1  VAL  28          2HG1      VAL  28   7.863  -9.503  -4.170
  179   3HG1  VAL  28          3HG1      VAL  28   8.183  -8.080  -3.178
  180   1HG2  VAL  28          1HG2      VAL  28   4.976  -8.250  -5.767
  181   2HG2  VAL  28          2HG2      VAL  28   5.447  -9.367  -4.485
  182   3HG2  VAL  28          3HG2      VAL  28   6.287  -9.399  -6.036
  Start of MODEL   10
    1   1H    VAL   1           HT1      VAL   1 -10.872   5.452   2.301
    2   2H    VAL   1           HT2      VAL   1 -10.084   6.422   3.478
    3   3H    VAL   1           HT3      VAL   1 -10.701   4.879   3.907
    4    HA   VAL   1           HA       VAL   1  -8.359   4.791   3.680
    5    HB   VAL   1           HB       VAL   1  -8.211   3.036   1.909
    6   1HG1  VAL   1          1HG1      VAL   1 -10.683   2.635   3.566
    7   2HG1  VAL   1          2HG1      VAL   1  -9.074   2.692   4.284
    8   3HG1  VAL   1          3HG1      VAL   1  -9.465   1.449   3.097
    9   1HG2  VAL   1          1HG2      VAL   1 -10.176   4.354   0.644
   10   2HG2  VAL   1          2HG2      VAL   1 -11.132   3.125   1.473
   11   3HG2  VAL   1          3HG2      VAL   1  -9.834   2.644   0.380
   12    H    GLY   2           HN       GLY   2  -6.492   5.329   2.631
   13   1HA   GLY   2           HA2      GLY   2  -6.662   6.530  -0.032
   14   2HA   GLY   2           HA1      GLY   2  -6.055   7.540   1.271
   15    H    CYS   3           HN       CYS   3  -4.042   7.747   0.231
   16    HA   CYS   3           HA       CYS   3  -2.463   5.354  -0.228
   17   1HB   CYS   3           HB2      CYS   3  -2.234   8.228  -0.918
   18   2HB   CYS   3           HB1      CYS   3  -0.720   7.359  -0.687
   19    H    GLU   4           HN       GLU   4  -2.865   7.789   2.193
   20    HA   GLU   4           HA       GLU   4  -0.335   7.227   3.476
   21   1HB   GLU   4           HB2      GLU   4  -2.656   8.999   4.194
   22   2HB   GLU   4           HB1      GLU   4  -1.258   8.796   5.241
   23   1HG   GLU   4           HG2      GLU   4   0.196   9.695   3.528
   24   2HG   GLU   4           HG1      GLU   4  -1.164   9.825   2.413
   25    H    GLU   5           HN       GLU   5  -3.042   5.537   3.275
   26    HA   GLU   5           HA       GLU   5  -2.871   4.533   6.029
   27   1HB   GLU   5           HB2      GLU   5  -5.235   4.604   4.161
   28   2HB   GLU   5           HB1      GLU   5  -5.217   3.704   5.670
   29   1HG   GLU   5           HG2      GLU   5  -4.425   6.494   5.967
   30   2HG   GLU   5           HG1      GLU   5  -6.065   6.281   5.355
   31    H    CYS   6           HN       CYS   6  -1.324   3.767   3.598
   32    HA   CYS   6           HA       CYS   6  -2.270   1.178   2.848
   33   1HB   CYS   6           HB2      CYS   6  -0.320   3.004   1.896
   34   2HB   CYS   6           HB1      CYS   6   0.487   1.471   2.208
   35    HA   PRO   7           HA       PRO   7   1.770  -0.006   5.523
   36   1HB   PRO   7           HB2      PRO   7   1.223   2.169   7.496
   37   2HB   PRO   7           HB1      PRO   7   2.765   1.461   7.002
   38   1HG   PRO   7           HG2      PRO   7   1.985   3.847   6.085
   39   2HG   PRO   7           HG1      PRO   7   2.866   2.705   5.055
   40   1HD   PRO   7           HD2      PRO   7  -0.009   3.459   5.007
   41   2HD   PRO   7           HD1      PRO   7   1.036   2.917   3.685
   42    H    MET   8           HN       MET   8  -1.036   1.533   7.098
   43    HA   MET   8           HA       MET   8  -1.242  -0.389   9.170
   44   1HB   MET   8           HB2      MET   8  -2.315   2.053   8.781
   45   2HB   MET   8           HB1      MET   8  -3.689   1.053   8.326
   46   1HG   MET   8           HG2      MET   8  -2.337   0.317  10.835
   47   2HG   MET   8           HG1      MET   8  -3.184   1.862  10.834
   48   1HE   MET   8           HE1      MET   8  -6.832   1.062  10.582
   49   2HE   MET   8           HE2      MET   8  -5.585   2.135   9.945
   50   3HE   MET   8           HE3      MET   8  -5.724   1.879  11.684
   51    H    HIS   9           HN       HIS   9  -2.647  -0.126   5.962
   52    HA   HIS   9           HA       HIS   9  -4.438  -2.349   6.350
   53   1HB   HIS   9           HB2      HIS   9  -3.806  -0.458   4.152
   54   2HB   HIS   9           HB1      HIS   9  -4.430  -2.034   3.678
   55    HD1  HIS   9           HD1      HIS   9  -6.478  -2.418   5.981
   56    HD2  HIS   9           HD2      HIS   9  -6.041   1.062   3.753
   57    HE1  HIS   9           HE1      HIS   9  -8.681  -1.220   6.167
   58    HE2  HIS   9           HE2      HIS   9  -8.363   0.924   4.883
   59    H    CYS  10           HN       CYS  10  -2.018  -1.935   3.779
   60    HA   CYS  10           HA       CYS  10  -1.587  -4.777   3.661
   61   1HB   CYS  10           HB2      CYS  10  -0.561  -2.410   2.133
   62   2HB   CYS  10           HB1      CYS  10   0.236  -3.971   1.967
   63    H    LYS  11           HN       LYS  11   0.743  -5.585   3.529
   64    HA   LYS  11           HA       LYS  11   2.049  -4.859   6.011
   65   1HB   LYS  11           HB2      LYS  11   2.646  -7.012   3.976
   66   2HB   LYS  11           HB1      LYS  11   3.540  -6.791   5.474
   67   1HG   LYS  11           HG2      LYS  11   2.098  -8.311   6.267
   68   2HG   LYS  11           HG1      LYS  11   1.018  -6.925   6.426
   69   1HD   LYS  11           HD2      LYS  11   0.401  -7.511   3.947
   70   2HD   LYS  11           HD1      LYS  11   1.033  -9.100   4.382
   71   1HE   LYS  11           HE2      LYS  11  -0.705  -9.563   5.746
   72   2HE   LYS  11           HE1      LYS  11  -0.831  -7.901   6.319
   73   1HZ   LYS  11           HZ1      LYS  11  -2.612  -9.033   4.710
   74   2HZ   LYS  11           HZ2      LYS  11  -1.586  -8.354   3.550
   75   3HZ   LYS  11           HZ3      LYS  11  -2.305  -7.369   4.721
   76    H    GLY  12           HN       GLY  12   4.438  -4.610   6.075
   77   1HA   GLY  12           HA2      GLY  12   5.472  -3.269   3.659
   78   2HA   GLY  12           HA1      GLY  12   5.606  -2.508   5.237
   79    H    LYS  13           HN       LYS  13   6.305  -5.694   3.797
   80    HA   LYS  13           HA       LYS  13   9.065  -5.466   4.541
   81   1HB   LYS  13           HB2      LYS  13   8.062  -6.262   6.631
   82   2HB   LYS  13           HB1      LYS  13   7.349  -7.621   5.773
   83   1HG   LYS  13           HG2      LYS  13   9.598  -8.446   5.238
   84   2HG   LYS  13           HG1      LYS  13  10.292  -7.101   6.146
   85   1HD   LYS  13           HD2      LYS  13   8.564  -8.138   7.970
   86   2HD   LYS  13           HD1      LYS  13   9.057  -9.592   7.099
   87   1HE   LYS  13           HE2      LYS  13  11.182  -9.491   7.864
   88   2HE   LYS  13           HE1      LYS  13  11.222  -7.728   7.830
   89   1HZ   LYS  13           HZ1      LYS  13   9.493  -8.138   9.803
   90   2HZ   LYS  13           HZ2      LYS  13  11.160  -7.990  10.050
   91   3HZ   LYS  13           HZ3      LYS  13  10.450  -9.523   9.978
   92    H    ASN  14           HN       ASN  14   6.495  -7.113   2.927
   93    HA   ASN  14           HA       ASN  14   8.426  -8.272   1.113
   94   1HB   ASN  14           HB2      ASN  14   6.469  -9.764   2.763
   95   2HB   ASN  14           HB1      ASN  14   6.568 -10.237   1.069
   96   1HD2  ASN  14          1HD2      ASN  14   7.276 -12.263   2.139
   97   2HD2  ASN  14          2HD2      ASN  14   8.962 -12.450   2.467
   98    H    ALA  15           HN       ALA  15   6.728  -5.960   1.120
   99    HA   ALA  15           HA       ALA  15   5.704  -6.118  -1.483
  100   1HB   ALA  15           HB1      ALA  15   3.241  -5.608  -0.518
  101   2HB   ALA  15           HB2      ALA  15   3.817  -6.769   0.677
  102   3HB   ALA  15           HB3      ALA  15   3.783  -7.206  -1.031
  103    H    LYS  16           HN       LYS  16   5.713  -4.110  -2.286
  104    HA   LYS  16           HA       LYS  16   5.779  -1.885  -0.380
  105   1HB   LYS  16           HB2      LYS  16   7.718  -1.952  -1.772
  106   2HB   LYS  16           HB1      LYS  16   6.746  -2.129  -3.225
  107   1HG   LYS  16           HG2      LYS  16   5.956   0.122  -3.049
  108   2HG   LYS  16           HG1      LYS  16   6.712   0.312  -1.466
  109   1HD   LYS  16           HD2      LYS  16   8.835  -0.446  -2.995
  110   2HD   LYS  16           HD1      LYS  16   7.882   0.485  -4.153
  111   1HE   LYS  16           HE2      LYS  16   9.260   2.086  -3.176
  112   2HE   LYS  16           HE1      LYS  16   7.744   2.257  -2.294
  113   1HZ   LYS  16           HZ1      LYS  16   9.268   2.211  -0.602
  114   2HZ   LYS  16           HZ2      LYS  16  10.299   1.126  -1.389
  115   3HZ   LYS  16           HZ3      LYS  16   8.863   0.570  -0.689
  116    HA   PRO  17           HA       PRO  17   1.713  -0.720  -1.750
  117   1HB   PRO  17           HB2      PRO  17   1.592   1.714  -0.578
  118   2HB   PRO  17           HB1      PRO  17   1.454   0.208   0.335
  119   1HG   PRO  17           HG2      PRO  17   3.825   2.000  -0.018
  120   2HG   PRO  17           HG1      PRO  17   3.243   1.190   1.448
  121   1HD   PRO  17           HD2      PRO  17   5.311   0.245  -0.045
  122   2HD   PRO  17           HD1      PRO  17   4.228  -0.810   0.885
  123    H    THR  18           HN       THR  18   0.848   0.365  -3.435
  124    HA   THR  18           HA       THR  18   2.514   2.386  -4.770
  125    HB   THR  18           HB       THR  18   0.845   1.290  -6.681
  126    HG1  THR  18           HG1      THR  18   0.962  -0.848  -6.488
  127   1HG2  THR  18          1HG2      THR  18   2.818   0.497  -7.750
  128   2HG2  THR  18          2HG2      THR  18   3.714   0.558  -6.232
  129   3HG2  THR  18          3HG2      THR  18   3.170   2.052  -6.996
  130    H    CYS  19           HN       CYS  19   1.426   4.080  -5.854
  131    HA   CYS  19           HA       CYS  19  -1.314   4.504  -4.871
  132   1HB   CYS  19           HB2      CYS  19   0.952   6.409  -5.387
  133   2HB   CYS  19           HB1      CYS  19  -0.713   6.979  -5.353
  134    H    ASP  20           HN       ASP  20  -2.837   4.344  -6.368
  135    HA   ASP  20           HA       ASP  20  -2.251   5.226  -9.087
  136   1HB   ASP  20           HB2      ASP  20  -2.401   2.652  -8.602
  137   2HB   ASP  20           HB1      ASP  20  -4.133   2.962  -8.598
  138    H    ASP  21           HN       ASP  21  -3.367   7.104  -9.161
  139    HA   ASP  21           HA       ASP  21  -5.094   8.586  -9.064
  140   1HB   ASP  21           HB2      ASP  21  -6.329   6.013  -9.915
  141   2HB   ASP  21           HB1      ASP  21  -7.415   7.326  -9.470
  142    H    GLY  22           HN       GLY  22  -4.259   8.102  -6.602
  143   1HA   GLY  22           HA2      GLY  22  -4.871   8.374  -4.424
  144   2HA   GLY  22           HA1      GLY  22  -6.498   8.643  -5.009
  145    H    VAL  23           HN       VAL  23  -5.185   5.687  -6.035
  146    HA   VAL  23           HA       VAL  23  -6.681   4.271  -3.929
  147    HB   VAL  23           HB       VAL  23  -6.100   3.280  -6.721
  148   1HG1  VAL  23          1HG1      VAL  23  -6.519   1.334  -5.653
  149   2HG1  VAL  23          2HG1      VAL  23  -8.197   1.837  -5.858
  150   3HG1  VAL  23          3HG1      VAL  23  -7.373   2.121  -4.325
  151   1HG2  VAL  23          1HG2      VAL  23  -7.638   4.858  -7.258
  152   2HG2  VAL  23          2HG2      VAL  23  -8.313   4.913  -5.629
  153   3HG2  VAL  23          3HG2      VAL  23  -8.753   3.600  -6.722
  154    H    CYS  24           HN       CYS  24  -5.186   3.652  -2.470
  155    HA   CYS  24           HA       CYS  24  -2.531   2.873  -3.207
  156   1HB   CYS  24           HB2      CYS  24  -3.567   3.850  -0.930
  157   2HB   CYS  24           HB1      CYS  24  -3.598   2.134  -0.536
  158    H    ASN  25           HN       ASN  25  -1.633   0.851  -3.302
  159    HA   ASN  25           HA       ASN  25  -3.095  -1.498  -2.562
  160   1HB   ASN  25           HB2      ASN  25  -3.342  -0.508  -5.232
  161   2HB   ASN  25           HB1      ASN  25  -2.479  -2.041  -5.260
  162   1HD2  ASN  25          1HD2      ASN  25  -5.238  -1.190  -6.078
  163   2HD2  ASN  25          2HD2      ASN  25  -6.286  -2.325  -5.304
  164    H    CYS  26           HN       CYS  26  -1.667  -2.916  -1.854
  165    HA   CYS  26           HA       CYS  26   1.148  -2.524  -2.364
  166   1HB   CYS  26           HB2      CYS  26   1.427  -4.425  -0.764
  167   2HB   CYS  26           HB1      CYS  26   0.506  -3.075  -0.110
  168    H    ASN  27           HN       ASN  27   2.539  -3.941  -3.394
  169    HA   ASN  27           HA       ASN  27   1.274  -6.116  -4.917
  170   1HB   ASN  27           HB2      ASN  27   3.274  -4.070  -5.853
  171   2HB   ASN  27           HB1      ASN  27   3.009  -5.585  -6.711
  172   1HD2  ASN  27          1HD2      ASN  27   2.590  -3.421  -8.131
  173   2HD2  ASN  27          2HD2      ASN  27   0.906  -3.103  -8.350
  174    H    VAL  28           HN       VAL  28   4.630  -5.099  -4.799
  175    HA   VAL  28           HA       VAL  28   5.397  -7.284  -3.074
  176    HB   VAL  28           HB       VAL  28   5.213  -8.426  -5.237
  177   1HG1  VAL  28          1HG1      VAL  28   7.300  -7.590  -6.782
  178   2HG1  VAL  28          2HG1      VAL  28   6.677  -6.064  -6.154
  179   3HG1  VAL  28          3HG1      VAL  28   5.611  -7.155  -7.038
  180   1HG2  VAL  28          1HG2      VAL  28   6.968  -9.036  -3.559
  181   2HG2  VAL  28          2HG2      VAL  28   8.112  -8.076  -4.497
  182   3HG2  VAL  28          3HG2      VAL  28   7.349  -9.492  -5.220
  Start of MODEL   11
    1   1H    VAL   1           HT1      VAL   1  -8.450   5.424  -1.332
    2   2H    VAL   1           HT2      VAL   1  -9.904   5.972  -0.602
    3   3H    VAL   1           HT3      VAL   1  -9.649   4.294  -0.858
    4    HA   VAL   1           HA       VAL   1  -9.319   5.316   1.443
    5    HB   VAL   1           HB       VAL   1  -7.488   3.682   1.883
    6   1HG1  VAL   1          1HG1      VAL   1  -8.800   1.751   1.456
    7   2HG1  VAL   1          2HG1      VAL   1  -9.606   2.518   0.088
    8   3HG1  VAL   1          3HG1      VAL   1  -9.927   3.080   1.729
    9   1HG2  VAL   1          1HG2      VAL   1  -7.317   3.798  -1.067
   10   2HG2  VAL   1          2HG2      VAL   1  -7.144   2.207  -0.327
   11   3HG2  VAL   1          3HG2      VAL   1  -6.057   3.516   0.134
   12    H    GLY   2           HN       GLY   2  -7.577   6.022   2.840
   13   1HA   GLY   2           HA2      GLY   2  -6.188   8.257   1.769
   14   2HA   GLY   2           HA1      GLY   2  -6.017   7.617   3.396
   15    H    CYS   3           HN       CYS   3  -4.379   8.248   0.631
   16    HA   CYS   3           HA       CYS   3  -2.758   6.011   0.210
   17   1HB   CYS   3           HB2      CYS   3  -2.615   8.895  -0.422
   18   2HB   CYS   3           HB1      CYS   3  -1.072   8.048  -0.397
   19    H    GLU   4           HN       GLU   4  -2.681   8.456   2.686
   20    HA   GLU   4           HA       GLU   4  -0.051   7.646   3.611
   21   1HB   GLU   4           HB2      GLU   4  -1.113  10.049   3.605
   22   2HB   GLU   4           HB1      GLU   4  -1.816   9.512   5.124
   23   1HG   GLU   4           HG2      GLU   4   0.261   9.307   6.155
   24   2HG   GLU   4           HG1      GLU   4   1.125   9.288   4.619
   25    H    GLU   5           HN       GLU   5  -2.942   6.311   3.862
   26    HA   GLU   5           HA       GLU   5  -2.486   5.357   6.602
   27   1HB   GLU   5           HB2      GLU   5  -4.982   6.146   5.198
   28   2HB   GLU   5           HB1      GLU   5  -5.076   4.780   6.301
   29   1HG   GLU   5           HG2      GLU   5  -3.763   7.270   7.247
   30   2HG   GLU   5           HG1      GLU   5  -5.520   7.244   7.105
   31    H    CYS   6           HN       CYS   6  -1.947   4.429   3.603
   32    HA   CYS   6           HA       CYS   6  -3.202   1.858   3.585
   33   1HB   CYS   6           HB2      CYS   6  -1.004   2.884   1.802
   34   2HB   CYS   6           HB1      CYS   6  -2.014   1.474   1.506
   35    HA   PRO   7           HA       PRO   7   1.602   0.759   4.378
   36   1HB   PRO   7           HB2      PRO   7   1.807   2.859   6.489
   37   2HB   PRO   7           HB1      PRO   7   3.051   2.233   5.401
   38   1HG   PRO   7           HG2      PRO   7   1.920   4.608   4.962
   39   2HG   PRO   7           HG1      PRO   7   2.333   3.527   3.619
   40   1HD   PRO   7           HD2      PRO   7  -0.334   4.151   4.794
   41   2HD   PRO   7           HD1      PRO   7   0.095   3.754   3.123
   42    H    MET   8           HN       MET   8  -0.908   1.828   6.573
   43    HA   MET   8           HA       MET   8  -0.108   0.048   8.696
   44   1HB   MET   8           HB2      MET   8  -1.451   2.331   8.779
   45   2HB   MET   8           HB1      MET   8  -2.832   1.259   8.589
   46   1HG   MET   8           HG2      MET   8  -0.795   0.694  10.692
   47   2HG   MET   8           HG1      MET   8  -2.018   1.935  10.958
   48   1HE   MET   8           HE1      MET   8  -4.310   1.504   9.995
   49   2HE   MET   8           HE2      MET   8  -5.173   0.592  11.233
   50   3HE   MET   8           HE3      MET   8  -4.972  -0.086   9.618
   51    H    HIS   9           HN       HIS   9  -2.234  -0.047   5.951
   52    HA   HIS   9           HA       HIS   9  -3.789  -2.277   6.855
   53   1HB   HIS   9           HB2      HIS   9  -3.449  -0.993   4.143
   54   2HB   HIS   9           HB1      HIS   9  -4.526  -2.353   4.437
   55    HD1  HIS   9           HD1      HIS   9  -5.880  -1.513   7.019
   56    HD2  HIS   9           HD2      HIS   9  -5.147   1.100   3.873
   57    HE1  HIS   9           HE1      HIS   9  -7.539   0.355   7.297
   58    HE2  HIS   9           HE2      HIS   9  -7.129   1.884   5.337
   59    H    CYS  10           HN       CYS  10  -1.855  -2.174   3.879
   60    HA   CYS  10           HA       CYS  10  -1.244  -4.986   4.168
   61   1HB   CYS  10           HB2      CYS  10  -1.731  -3.480   1.993
   62   2HB   CYS  10           HB1      CYS  10   0.027  -3.396   2.010
   63    H    LYS  11           HN       LYS  11   0.431  -5.679   5.307
   64    HA   LYS  11           HA       LYS  11   3.005  -4.355   5.051
   65   1HB   LYS  11           HB2      LYS  11   1.408  -4.420   7.554
   66   2HB   LYS  11           HB1      LYS  11   3.140  -4.683   7.682
   67   1HG   LYS  11           HG2      LYS  11   2.271  -2.375   6.061
   68   2HG   LYS  11           HG1      LYS  11   2.019  -2.268   7.804
   69   1HD   LYS  11           HD2      LYS  11   4.201  -1.976   8.197
   70   2HD   LYS  11           HD1      LYS  11   4.651  -3.302   7.124
   71   1HE   LYS  11           HE2      LYS  11   3.686  -0.871   5.779
   72   2HE   LYS  11           HE1      LYS  11   5.205  -0.690   6.655
   73   1HZ   LYS  11           HZ1      LYS  11   4.756  -2.910   4.753
   74   2HZ   LYS  11           HZ2      LYS  11   6.224  -2.329   5.359
   75   3HZ   LYS  11           HZ3      LYS  11   5.344  -1.407   4.246
   76    H    GLY  12           HN       GLY  12   4.463  -5.874   4.664
   77   1HA   GLY  12           HA2      GLY  12   4.268  -8.432   6.088
   78   2HA   GLY  12           HA1      GLY  12   4.374  -8.443   4.334
   79    H    LYS  13           HN       LYS  13   6.314  -7.834   3.328
   80    HA   LYS  13           HA       LYS  13   8.584  -7.058   4.877
   81   1HB   LYS  13           HB2      LYS  13   8.082  -9.786   4.693
   82   2HB   LYS  13           HB1      LYS  13   9.310  -9.494   3.470
   83   1HG   LYS  13           HG2      LYS  13  10.555  -8.230   5.342
   84   2HG   LYS  13           HG1      LYS  13   9.466  -9.095   6.429
   85   1HD   LYS  13           HD2      LYS  13  10.525 -11.053   6.122
   86   2HD   LYS  13           HD1      LYS  13  10.721 -10.784   4.389
   87   1HE   LYS  13           HE2      LYS  13  12.867 -10.908   5.642
   88   2HE   LYS  13           HE1      LYS  13  12.640  -9.401   4.755
   89   1HZ   LYS  13           HZ1      LYS  13  11.895  -8.377   6.851
   90   2HZ   LYS  13           HZ2      LYS  13  13.492  -8.926   6.928
   91   3HZ   LYS  13           HZ3      LYS  13  12.257  -9.812   7.670
   92    H    ASN  14           HN       ASN  14   7.369  -8.298   1.814
   93    HA   ASN  14           HA       ASN  14   9.132  -6.425   0.447
   94   1HB   ASN  14           HB2      ASN  14   8.518  -9.285  -0.247
   95   2HB   ASN  14           HB1      ASN  14   9.009  -8.141  -1.492
   96   1HD2  ASN  14          1HD2      ASN  14   9.985  -9.905   1.331
   97   2HD2  ASN  14          2HD2      ASN  14  11.683  -9.633   1.164
   98    H    ALA  15           HN       ALA  15   6.485  -6.066   1.418
   99    HA   ALA  15           HA       ALA  15   5.083  -5.665  -1.133
  100   1HB   ALA  15           HB1      ALA  15   3.327  -5.956   1.180
  101   2HB   ALA  15           HB2      ALA  15   4.248  -7.411   0.798
  102   3HB   ALA  15           HB3      ALA  15   3.216  -6.674  -0.428
  103    H    LYS  16           HN       LYS  16   5.302  -3.525  -1.463
  104    HA   LYS  16           HA       LYS  16   4.739  -1.726   0.791
  105   1HB   LYS  16           HB2      LYS  16   6.915  -1.292  -0.016
  106   2HB   LYS  16           HB1      LYS  16   6.396  -1.351  -1.693
  107   1HG   LYS  16           HG2      LYS  16   6.718   0.909  -1.296
  108   2HG   LYS  16           HG1      LYS  16   4.976   0.715  -1.098
  109   1HD   LYS  16           HD2      LYS  16   5.333   1.837   0.826
  110   2HD   LYS  16           HD1      LYS  16   5.812   0.249   1.428
  111   1HE   LYS  16           HE2      LYS  16   8.142   0.746   0.941
  112   2HE   LYS  16           HE1      LYS  16   7.684   2.311   0.270
  113   1HZ   LYS  16           HZ1      LYS  16   8.174   2.987   2.347
  114   2HZ   LYS  16           HZ2      LYS  16   7.896   1.472   3.045
  115   3HZ   LYS  16           HZ3      LYS  16   6.592   2.486   2.680
  116    HA   PRO  17           HA       PRO  17   0.914  -0.676  -1.202
  117   1HB   PRO  17           HB2      PRO  17   1.049   1.840   0.317
  118   2HB   PRO  17           HB1      PRO  17  -0.147   0.545   0.398
  119   1HG   PRO  17           HG2      PRO  17   1.628   0.968   2.375
  120   2HG   PRO  17           HG1      PRO  17   1.060  -0.657   1.949
  121   1HD   PRO  17           HD2      PRO  17   3.647   0.687   1.270
  122   2HD   PRO  17           HD1      PRO  17   3.337  -1.000   1.729
  123    H    THR  18           HN       THR  18   0.531   0.253  -3.111
  124    HA   THR  18           HA       THR  18   2.166   2.567  -3.899
  125    HB   THR  18           HB       THR  18   1.114   1.431  -6.194
  126    HG1  THR  18           HG1      THR  18   1.539  -0.702  -6.068
  127   1HG2  THR  18          1HG2      THR  18   3.379   0.877  -6.769
  128   2HG2  THR  18          2HG2      THR  18   3.869   1.045  -5.083
  129   3HG2  THR  18          3HG2      THR  18   3.319   2.457  -5.986
  130    H    CYS  19           HN       CYS  19   1.201   4.299  -4.907
  131    HA   CYS  19           HA       CYS  19  -1.729   4.351  -4.721
  132   1HB   CYS  19           HB2      CYS  19   0.334   6.542  -4.548
  133   2HB   CYS  19           HB1      CYS  19  -1.383   6.876  -4.746
  134    H    ASP  20           HN       ASP  20  -2.762   4.169  -6.589
  135    HA   ASP  20           HA       ASP  20  -1.626   5.432  -8.962
  136   1HB   ASP  20           HB2      ASP  20  -1.518   2.818  -8.753
  137   2HB   ASP  20           HB1      ASP  20  -3.216   2.918  -9.198
  138    H    ASP  21           HN       ASP  21  -2.945   7.144  -9.233
  139    HA   ASP  21           HA       ASP  21  -4.835   8.392  -9.483
  140   1HB   ASP  21           HB2      ASP  21  -5.425   5.797 -10.820
  141   2HB   ASP  21           HB1      ASP  21  -6.766   6.914 -10.589
  142    H    GLY  22           HN       GLY  22  -4.594   7.737  -6.929
  143   1HA   GLY  22           HA2      GLY  22  -5.784   7.717  -4.985
  144   2HA   GLY  22           HA1      GLY  22  -7.228   7.826  -5.968
  145    H    VAL  23           HN       VAL  23  -5.233   5.190  -6.763
  146    HA   VAL  23           HA       VAL  23  -7.014   3.381  -5.269
  147    HB   VAL  23           HB       VAL  23  -5.487   2.753  -7.798
  148   1HG1  VAL  23          1HG1      VAL  23  -7.169   0.842  -7.842
  149   2HG1  VAL  23          2HG1      VAL  23  -7.499   1.241  -6.156
  150   3HG1  VAL  23          3HG1      VAL  23  -5.879   0.742  -6.644
  151   1HG2  VAL  23          1HG2      VAL  23  -8.313   3.675  -7.371
  152   2HG2  VAL  23          2HG2      VAL  23  -7.832   2.765  -8.803
  153   3HG2  VAL  23          3HG2      VAL  23  -7.093   4.330  -8.464
  154    H    CYS  24           HN       CYS  24  -5.909   2.907  -3.444
  155    HA   CYS  24           HA       CYS  24  -3.061   2.472  -3.464
  156   1HB   CYS  24           HB2      CYS  24  -4.975   3.147  -1.524
  157   2HB   CYS  24           HB1      CYS  24  -4.366   1.566  -1.047
  158    H    ASN  25           HN       ASN  25  -1.994   0.578  -3.523
  159    HA   ASN  25           HA       ASN  25  -3.255  -1.916  -2.896
  160   1HB   ASN  25           HB2      ASN  25  -3.257  -0.990  -5.612
  161   2HB   ASN  25           HB1      ASN  25  -2.286  -2.450  -5.477
  162   1HD2  ASN  25          1HD2      ASN  25  -3.620  -3.784  -3.484
  163   2HD2  ASN  25          2HD2      ASN  25  -5.197  -4.221  -4.039
  164    H    CYS  26           HN       CYS  26  -1.763  -3.142  -1.979
  165    HA   CYS  26           HA       CYS  26   1.022  -2.427  -2.149
  166   1HB   CYS  26           HB2      CYS  26   1.325  -4.335  -0.549
  167   2HB   CYS  26           HB1      CYS  26   0.198  -3.101   0.003
  168    H    ASN  27           HN       ASN  27   2.564  -3.358  -3.350
  169    HA   ASN  27           HA       ASN  27   1.874  -5.820  -4.806
  170   1HB   ASN  27           HB2      ASN  27   3.309  -3.358  -5.771
  171   2HB   ASN  27           HB1      ASN  27   3.437  -4.902  -6.609
  172   1HD2  ASN  27          1HD2      ASN  27   2.221  -2.254  -7.313
  173   2HD2  ASN  27          2HD2      ASN  27   0.616  -2.636  -7.823
  174    H    VAL  28           HN       VAL  28   4.937  -4.143  -4.919
  175    HA   VAL  28           HA       VAL  28   6.175  -6.428  -3.531
  176    HB   VAL  28           HB       VAL  28   7.473  -4.697  -5.640
  177   1HG1  VAL  28          1HG1      VAL  28   8.348  -7.103  -4.081
  178   2HG1  VAL  28          2HG1      VAL  28   9.187  -5.572  -4.328
  179   3HG1  VAL  28          3HG1      VAL  28   9.055  -6.728  -5.653
  180   1HG2  VAL  28          1HG2      VAL  28   6.936  -7.514  -6.261
  181   2HG2  VAL  28          2HG2      VAL  28   6.772  -6.076  -7.269
  182   3HG2  VAL  28          3HG2      VAL  28   5.497  -6.504  -6.129
  Start of MODEL   12
    1   1H    VAL   1           HT1      VAL   1 -11.057   2.980   2.717
    2   2H    VAL   1           HT2      VAL   1 -10.670   2.971   1.044
    3   3H    VAL   1           HT3      VAL   1 -11.020   4.452   1.839
    4    HA   VAL   1           HA       VAL   1  -9.094   4.130   3.240
    5    HB   VAL   1           HB       VAL   1  -7.401   2.477   2.494
    6   1HG1  VAL   1          1HG1      VAL   1  -9.985   1.130   3.252
    7   2HG1  VAL   1          2HG1      VAL   1  -9.005   2.068   4.380
    8   3HG1  VAL   1          3HG1      VAL   1  -8.343   0.613   3.635
    9   1HG2  VAL   1          1HG2      VAL   1  -7.700   1.017   0.791
   10   2HG2  VAL   1          2HG2      VAL   1  -8.803   2.268   0.217
   11   3HG2  VAL   1          3HG2      VAL   1  -9.433   0.866   1.080
   12    H    GLY   2           HN       GLY   2  -6.890   4.759   2.459
   13   1HA   GLY   2           HA2      GLY   2  -6.807   5.633  -0.330
   14   2HA   GLY   2           HA1      GLY   2  -6.737   6.882   0.904
   15    H    CYS   3           HN       CYS   3  -4.660   7.194  -0.398
   16    HA   CYS   3           HA       CYS   3  -2.516   5.365   0.005
   17   1HB   CYS   3           HB2      CYS   3  -2.786   8.135  -1.074
   18   2HB   CYS   3           HB1      CYS   3  -1.182   7.566  -0.626
   19    H    GLU   4           HN       GLU   4  -3.911   7.866   1.919
   20    HA   GLU   4           HA       GLU   4  -1.565   8.245   3.561
   21   1HB   GLU   4           HB2      GLU   4  -4.383   9.279   3.734
   22   2HB   GLU   4           HB1      GLU   4  -3.164   9.638   4.948
   23   1HG   GLU   4           HG2      GLU   4  -1.767  10.482   2.938
   24   2HG   GLU   4           HG1      GLU   4  -3.321  10.537   2.106
   25    H    GLU   5           HN       GLU   5  -3.602   5.791   3.312
   26    HA   GLU   5           HA       GLU   5  -3.374   5.102   6.153
   27   1HB   GLU   5           HB2      GLU   5  -5.760   4.876   4.356
   28   2HB   GLU   5           HB1      GLU   5  -5.552   3.735   5.678
   29   1HG   GLU   5           HG2      GLU   5  -5.814   5.358   7.297
   30   2HG   GLU   5           HG1      GLU   5  -5.386   6.669   6.199
   31    H    CYS   6           HN       CYS   6  -1.684   4.465   3.840
   32    HA   CYS   6           HA       CYS   6  -2.168   1.738   3.160
   33   1HB   CYS   6           HB2      CYS   6  -0.625   3.770   2.095
   34   2HB   CYS   6           HB1      CYS   6   0.562   2.638   2.735
   35    HA   PRO   7           HA       PRO   7   1.839   1.296   6.103
   36   1HB   PRO   7           HB2      PRO   7   0.796   3.381   7.974
   37   2HB   PRO   7           HB1      PRO   7   2.467   2.934   7.607
   38   1HG   PRO   7           HG2      PRO   7   1.373   5.137   6.567
   39   2HG   PRO   7           HG1      PRO   7   2.496   4.136   5.629
   40   1HD   PRO   7           HD2      PRO   7  -0.455   4.401   5.380
   41   2HD   PRO   7           HD1      PRO   7   0.750   4.020   4.141
   42    H    MET   8           HN       MET   8  -1.485   2.019   6.976
   43    HA   MET   8           HA       MET   8  -1.468   0.275   9.275
   44   1HB   MET   8           HB2      MET   8  -2.985   2.408   8.632
   45   2HB   MET   8           HB1      MET   8  -4.045   1.119   8.081
   46   1HG   MET   8           HG2      MET   8  -2.920   1.437  10.854
   47   2HG   MET   8           HG1      MET   8  -4.577   1.765  10.351
   48   1HE   MET   8           HE1      MET   8  -6.165  -0.276   9.281
   49   2HE   MET   8           HE2      MET   8  -6.337   0.249  10.956
   50   3HE   MET   8           HE3      MET   8  -6.351  -1.470  10.565
   51    H    HIS   9           HN       HIS   9  -2.551   0.147   5.930
   52    HA   HIS   9           HA       HIS   9  -3.538  -2.583   6.324
   53   1HB   HIS   9           HB2      HIS   9  -3.916  -0.517   4.180
   54   2HB   HIS   9           HB1      HIS   9  -4.218  -2.215   3.830
   55    HD1  HIS   9           HD1      HIS   9  -5.595  -3.023   6.473
   56    HD2  HIS   9           HD2      HIS   9  -6.468   0.427   4.329
   57    HE1  HIS   9           HE1      HIS   9  -7.929  -2.382   7.153
   58    HE2  HIS   9           HE2      HIS   9  -8.468  -0.341   5.777
   59    H    CYS  10           HN       CYS  10  -3.094  -4.036   4.315
   60    HA   CYS  10           HA       CYS  10  -1.570  -5.317   3.211
   61   1HB   CYS  10           HB2      CYS  10  -1.336  -2.733   2.229
   62   2HB   CYS  10           HB1      CYS  10   0.327  -3.197   2.569
   63    H    LYS  11           HN       LYS  11   1.088  -5.398   2.927
   64    HA   LYS  11           HA       LYS  11   2.033  -5.616   5.699
   65   1HB   LYS  11           HB2      LYS  11   3.132  -6.933   3.209
   66   2HB   LYS  11           HB1      LYS  11   3.643  -7.243   4.863
   67   1HG   LYS  11           HG2      LYS  11   0.904  -7.682   4.899
   68   2HG   LYS  11           HG1      LYS  11   1.443  -8.366   3.365
   69   1HD   LYS  11           HD2      LYS  11   3.119  -8.982   5.715
   70   2HD   LYS  11           HD1      LYS  11   1.506  -9.700   5.707
   71   1HE   LYS  11           HE2      LYS  11   2.001 -10.532   3.389
   72   2HE   LYS  11           HE1      LYS  11   3.664  -9.997   3.627
   73   1HZ   LYS  11           HZ1      LYS  11   3.861 -12.126   4.328
   74   2HZ   LYS  11           HZ2      LYS  11   2.248 -12.252   4.821
   75   3HZ   LYS  11           HZ3      LYS  11   3.370 -11.448   5.799
   76    H    GLY  12           HN       GLY  12   4.356  -5.186   6.083
   77   1HA   GLY  12           HA2      GLY  12   5.443  -3.145   4.255
   78   2HA   GLY  12           HA1      GLY  12   5.323  -2.820   5.977
   79    H    LYS  13           HN       LYS  13   6.460  -5.584   4.030
   80    HA   LYS  13           HA       LYS  13   9.149  -5.229   4.899
   81   1HB   LYS  13           HB2      LYS  13   7.398  -6.870   6.466
   82   2HB   LYS  13           HB1      LYS  13   8.649  -7.874   5.748
   83   1HG   LYS  13           HG2      LYS  13  10.314  -6.181   6.648
   84   2HG   LYS  13           HG1      LYS  13   8.974  -5.533   7.596
   85   1HD   LYS  13           HD2      LYS  13   8.649  -7.704   8.650
   86   2HD   LYS  13           HD1      LYS  13   9.946  -8.390   7.668
   87   1HE   LYS  13           HE2      LYS  13  10.333  -6.083   9.565
   88   2HE   LYS  13           HE1      LYS  13  10.583  -7.768  10.021
   89   1HZ   LYS  13           HZ1      LYS  13  12.378  -7.968   8.570
   90   2HZ   LYS  13           HZ2      LYS  13  12.597  -6.442   9.264
   91   3HZ   LYS  13           HZ3      LYS  13  11.970  -6.576   7.699
   92    H    ASN  14           HN       ASN  14   6.748  -7.213   3.313
   93    HA   ASN  14           HA       ASN  14   8.744  -7.930   1.335
   94   1HB   ASN  14           HB2      ASN  14   7.894  -9.800   3.102
   95   2HB   ASN  14           HB1      ASN  14   6.659  -9.966   1.858
   96   1HD2  ASN  14          1HD2      ASN  14  10.154  -9.887   2.349
   97   2HD2  ASN  14          2HD2      ASN  14  10.539 -10.971   1.059
   98    H    ALA  15           HN       ALA  15   6.745  -5.883   1.534
   99    HA   ALA  15           HA       ALA  15   5.492  -6.293  -1.013
  100   1HB   ALA  15           HB1      ALA  15   3.326  -6.570  -0.450
  101   2HB   ALA  15           HB2      ALA  15   3.466  -5.571   0.997
  102   3HB   ALA  15           HB3      ALA  15   4.021  -7.245   1.024
  103    H    LYS  16           HN       LYS  16   5.705  -4.418  -2.043
  104    HA   LYS  16           HA       LYS  16   5.915  -1.961  -0.467
  105   1HB   LYS  16           HB2      LYS  16   7.771  -2.203  -1.901
  106   2HB   LYS  16           HB1      LYS  16   6.768  -2.692  -3.258
  107   1HG   LYS  16           HG2      LYS  16   6.184  -0.543  -3.778
  108   2HG   LYS  16           HG1      LYS  16   6.380   0.027  -2.119
  109   1HD   LYS  16           HD2      LYS  16   8.837  -0.947  -3.411
  110   2HD   LYS  16           HD1      LYS  16   8.141   0.510  -4.122
  111   1HE   LYS  16           HE2      LYS  16   8.141   1.586  -1.931
  112   2HE   LYS  16           HE1      LYS  16   8.812   0.125  -1.206
  113   1HZ   LYS  16           HZ1      LYS  16  10.112   2.005  -3.081
  114   2HZ   LYS  16           HZ2      LYS  16  10.710   0.441  -2.841
  115   3HZ   LYS  16           HZ3      LYS  16  10.630   1.523  -1.544
  116    HA   PRO  17           HA       PRO  17   1.842  -0.854  -1.899
  117   1HB   PRO  17           HB2      PRO  17   1.638   1.519  -0.682
  118   2HB   PRO  17           HB1      PRO  17   1.641   0.011   0.241
  119   1HG   PRO  17           HG2      PRO  17   3.867   1.958  -0.214
  120   2HG   PRO  17           HG1      PRO  17   3.408   1.112   1.274
  121   1HD   PRO  17           HD2      PRO  17   5.452   0.318  -0.392
  122   2HD   PRO  17           HD1      PRO  17   4.576  -0.768   0.703
  123    H    THR  18           HN       THR  18   0.886   0.465  -3.439
  124    HA   THR  18           HA       THR  18   2.589   2.477  -4.722
  125    HB   THR  18           HB       THR  18   2.425   0.173  -5.915
  126    HG1  THR  18           HG1      THR  18   2.026   2.687  -7.138
  127   1HG2  THR  18          1HG2      THR  18   0.152   1.213  -7.406
  128   2HG2  THR  18          2HG2      THR  18  -0.243   0.615  -5.797
  129   3HG2  THR  18          3HG2      THR  18   0.561  -0.443  -6.956
  130    H    CYS  19           HN       CYS  19   1.566   4.290  -5.497
  131    HA   CYS  19           HA       CYS  19  -1.215   4.594  -4.629
  132   1HB   CYS  19           HB2      CYS  19   1.052   6.490  -5.072
  133   2HB   CYS  19           HB1      CYS  19  -0.598   7.091  -5.197
  134    H    ASP  20           HN       ASP  20  -2.749   4.380  -6.105
  135    HA   ASP  20           HA       ASP  20  -2.239   5.313  -8.825
  136   1HB   ASP  20           HB2      ASP  20  -2.354   2.731  -8.369
  137   2HB   ASP  20           HB1      ASP  20  -4.088   3.024  -8.318
  138    H    ASP  21           HN       ASP  21  -3.382   7.174  -8.874
  139    HA   ASP  21           HA       ASP  21  -5.119   8.640  -8.703
  140   1HB   ASP  21           HB2      ASP  21  -6.406   6.052  -9.475
  141   2HB   ASP  21           HB1      ASP  21  -7.436   7.424  -9.075
  142    H    GLY  22           HN       GLY  22  -4.183   8.128  -6.281
  143   1HA   GLY  22           HA2      GLY  22  -4.707   8.362  -4.076
  144   2HA   GLY  22           HA1      GLY  22  -6.356   8.640  -4.591
  145    H    VAL  23           HN       VAL  23  -4.999   5.697  -5.669
  146    HA   VAL  23           HA       VAL  23  -6.416   4.244  -3.531
  147    HB   VAL  23           HB       VAL  23  -6.039   3.338  -6.385
  148   1HG1  VAL  23          1HG1      VAL  23  -7.877   1.716  -5.660
  149   2HG1  VAL  23          2HG1      VAL  23  -7.458   2.173  -4.009
  150   3HG1  VAL  23          3HG1      VAL  23  -6.248   1.422  -5.050
  151   1HG2  VAL  23          1HG2      VAL  23  -7.628   4.893  -6.783
  152   2HG2  VAL  23          2HG2      VAL  23  -8.134   4.963  -5.095
  153   3HG2  VAL  23          3HG2      VAL  23  -8.700   3.654  -6.132
  154    H    CYS  24           HN       CYS  24  -4.913   3.427  -2.202
  155    HA   CYS  24           HA       CYS  24  -2.263   2.788  -3.025
  156   1HB   CYS  24           HB2      CYS  24  -3.596   3.155  -0.585
  157   2HB   CYS  24           HB1      CYS  24  -3.044   1.483  -0.557
  158    H    ASN  25           HN       ASN  25  -1.316   0.818  -3.434
  159    HA   ASN  25           HA       ASN  25  -2.743  -1.644  -3.115
  160   1HB   ASN  25           HB2      ASN  25  -2.989  -0.230  -5.581
  161   2HB   ASN  25           HB1      ASN  25  -2.077  -1.709  -5.859
  162   1HD2  ASN  25          1HD2      ASN  25  -3.176  -3.474  -4.172
  163   2HD2  ASN  25          2HD2      ASN  25  -4.844  -3.726  -4.545
  164    H    CYS  26           HN       CYS  26  -1.309  -3.151  -2.647
  165    HA   CYS  26           HA       CYS  26   1.497  -2.646  -2.890
  166   1HB   CYS  26           HB2      CYS  26  -0.101  -5.003  -1.897
  167   2HB   CYS  26           HB1      CYS  26   1.657  -5.029  -1.975
  168    H    ASN  27           HN       ASN  27   3.031  -3.994  -3.990
  169    HA   ASN  27           HA       ASN  27   1.930  -5.202  -6.433
  170   1HB   ASN  27           HB2      ASN  27   3.679  -3.114  -6.278
  171   2HB   ASN  27           HB1      ASN  27   4.778  -4.479  -6.444
  172   1HD2  ASN  27          1HD2      ASN  27   2.468  -2.474  -7.986
  173   2HD2  ASN  27          2HD2      ASN  27   2.592  -3.164  -9.565
  174    H    VAL  28           HN       VAL  28   5.001  -5.386  -4.715
  175    HA   VAL  28           HA       VAL  28   4.668  -8.254  -4.333
  176    HB   VAL  28           HB       VAL  28   5.739  -8.080  -6.535
  177   1HG1  VAL  28          1HG1      VAL  28   8.283  -7.063  -5.465
  178   2HG1  VAL  28          2HG1      VAL  28   6.985  -5.875  -5.590
  179   3HG1  VAL  28          3HG1      VAL  28   7.503  -6.769  -7.019
  180   1HG2  VAL  28          1HG2      VAL  28   7.095  -9.842  -6.150
  181   2HG2  VAL  28          2HG2      VAL  28   6.440  -9.725  -4.517
  182   3HG2  VAL  28          3HG2      VAL  28   8.005  -9.004  -4.894
  Start of MODEL   13
    1   1H    VAL   1           HT1      VAL   1 -10.055   6.923  -1.106
    2   2H    VAL   1           HT2      VAL   1 -10.803   5.445  -0.658
    3   3H    VAL   1           HT3      VAL   1  -9.617   5.467  -1.898
    4    HA   VAL   1           HA       VAL   1  -9.319   5.715   0.990
    5    HB   VAL   1           HB       VAL   1  -7.497   4.332  -0.957
    6   1HG1  VAL   1          1HG1      VAL   1  -6.467   4.199   1.062
    7   2HG1  VAL   1          2HG1      VAL   1  -7.520   2.793   1.215
    8   3HG1  VAL   1          3HG1      VAL   1  -7.977   4.322   1.966
    9   1HG2  VAL   1          1HG2      VAL   1  -8.925   2.255  -0.236
   10   2HG2  VAL   1          2HG2      VAL   1  -9.422   3.250  -1.604
   11   3HG2  VAL   1          3HG2      VAL   1 -10.197   3.459  -0.034
   12    H    GLY   2           HN       GLY   2  -7.086   6.231   1.721
   13   1HA   GLY   2           HA2      GLY   2  -5.923   8.371   0.045
   14   2HA   GLY   2           HA1      GLY   2  -6.043   8.480   1.794
   15    H    CYS   3           HN       CYS   3  -3.649   8.793   0.332
   16    HA   CYS   3           HA       CYS   3  -2.108   6.406   0.339
   17   1HB   CYS   3           HB2      CYS   3  -1.770   8.953  -0.657
   18   2HB   CYS   3           HB1      CYS   3  -0.592   8.893   0.649
   19    H    GLU   4           HN       GLU   4  -3.216   8.370   2.854
   20    HA   GLU   4           HA       GLU   4  -0.977   7.904   4.618
   21   1HB   GLU   4           HB2      GLU   4  -2.608   9.942   4.565
   22   2HB   GLU   4           HB1      GLU   4  -3.640   8.900   5.534
   23   1HG   GLU   4           HG2      GLU   4  -0.819   9.223   6.384
   24   2HG   GLU   4           HG1      GLU   4  -1.915  10.584   6.619
   25    H    GLU   5           HN       GLU   5  -3.251   5.944   3.511
   26    HA   GLU   5           HA       GLU   5  -3.410   4.417   6.014
   27   1HB   GLU   5           HB2      GLU   5  -5.494   4.816   3.883
   28   2HB   GLU   5           HB1      GLU   5  -5.559   3.453   4.993
   29   1HG   GLU   5           HG2      GLU   5  -6.268   4.714   6.698
   30   2HG   GLU   5           HG1      GLU   5  -5.190   6.049   6.292
   31    H    CYS   6           HN       CYS   6  -1.588   4.411   3.544
   32    HA   CYS   6           HA       CYS   6  -2.082   1.860   2.345
   33   1HB   CYS   6           HB2      CYS   6  -0.086   4.017   2.000
   34   2HB   CYS   6           HB1      CYS   6   0.390   2.398   1.500
   35    HA   PRO   7           HA       PRO   7   1.691   0.599   4.994
   36   1HB   PRO   7           HB2      PRO   7   2.566   2.298   6.898
   37   2HB   PRO   7           HB1      PRO   7   3.097   2.407   5.217
   38   1HG   PRO   7           HG2      PRO   7   1.124   4.073   6.694
   39   2HG   PRO   7           HG1      PRO   7   2.260   4.539   5.418
   40   1HD   PRO   7           HD2      PRO   7  -0.460   4.034   5.068
   41   2HD   PRO   7           HD1      PRO   7   0.747   4.065   3.776
   42    H    MET   8           HN       MET   8  -0.733  -0.182   5.539
   43    HA   MET   8           HA       MET   8  -0.688  -1.012   8.216
   44   1HB   MET   8           HB2      MET   8  -1.373   1.395   8.538
   45   2HB   MET   8           HB1      MET   8  -2.851   1.023   7.662
   46   1HG   MET   8           HG2      MET   8  -3.795   0.083   9.441
   47   2HG   MET   8           HG1      MET   8  -2.345  -0.840   9.829
   48   1HE   MET   8           HE1      MET   8  -0.199   0.926  11.828
   49   2HE   MET   8           HE2      MET   8  -0.309   2.372  10.823
   50   3HE   MET   8           HE3      MET   8  -0.249   0.778  10.071
   51    H    HIS   9           HN       HIS   9  -2.715  -0.285   5.422
   52    HA   HIS   9           HA       HIS   9  -4.650  -2.303   5.931
   53   1HB   HIS   9           HB2      HIS   9  -4.160  -0.277   3.938
   54   2HB   HIS   9           HB1      HIS   9  -4.597  -1.792   3.160
   55    HD1  HIS   9           HD1      HIS   9  -6.740  -2.876   4.974
   56    HD2  HIS   9           HD2      HIS   9  -6.445   1.146   3.983
   57    HE1  HIS   9           HE1      HIS   9  -9.042  -1.927   5.329
   58    HE2  HIS   9           HE2      HIS   9  -8.861   0.489   4.635
   59    H    CYS  10           HN       CYS  10  -1.655  -2.180   4.086
   60    HA   CYS  10           HA       CYS  10  -1.950  -5.054   3.503
   61   1HB   CYS  10           HB2      CYS  10  -0.872  -2.789   1.936
   62   2HB   CYS  10           HB1      CYS  10   0.058  -4.281   1.853
   63    H    LYS  11           HN       LYS  11   0.222  -6.196   3.315
   64    HA   LYS  11           HA       LYS  11   1.589  -5.930   5.798
   65   1HB   LYS  11           HB2      LYS  11   2.246  -7.597   3.362
   66   2HB   LYS  11           HB1      LYS  11   3.035  -7.750   4.926
   67   1HG   LYS  11           HG2      LYS  11   0.426  -7.995   5.630
   68   2HG   LYS  11           HG1      LYS  11   0.424  -8.726   4.024
   69   1HD   LYS  11           HD2      LYS  11   1.645 -10.502   4.693
   70   2HD   LYS  11           HD1      LYS  11   2.653  -9.531   5.768
   71   1HE   LYS  11           HE2      LYS  11   0.783  -9.445   7.381
   72   2HE   LYS  11           HE1      LYS  11  -0.150 -10.498   6.319
   73   1HZ   LYS  11           HZ1      LYS  11   2.508 -11.397   7.149
   74   2HZ   LYS  11           HZ2      LYS  11   1.110 -12.299   6.844
   75   3HZ   LYS  11           HZ3      LYS  11   1.266 -11.448   8.298
   76    H    GLY  12           HN       GLY  12   3.870  -5.557   6.097
   77   1HA   GLY  12           HA2      GLY  12   5.095  -3.921   3.969
   78   2HA   GLY  12           HA1      GLY  12   5.057  -3.353   5.630
   79    H    LYS  13           HN       LYS  13   5.946  -6.373   3.955
   80    HA   LYS  13           HA       LYS  13   8.629  -6.174   4.956
   81   1HB   LYS  13           HB2      LYS  13   7.370  -7.219   6.828
   82   2HB   LYS  13           HB1      LYS  13   6.929  -8.536   5.750
   83   1HG   LYS  13           HG2      LYS  13   9.570  -8.641   5.445
   84   2HG   LYS  13           HG1      LYS  13   9.512  -7.937   7.062
   85   1HD   LYS  13           HD2      LYS  13   7.830 -10.323   6.419
   86   2HD   LYS  13           HD1      LYS  13   9.548 -10.530   6.765
   87   1HE   LYS  13           HE2      LYS  13   9.145  -9.200   8.879
   88   2HE   LYS  13           HE1      LYS  13   7.421  -9.371   8.550
   89   1HZ   LYS  13           HZ1      LYS  13   7.983 -11.110  10.000
   90   2HZ   LYS  13           HZ2      LYS  13   9.382 -11.510   9.137
   91   3HZ   LYS  13           HZ3      LYS  13   7.860 -11.837   8.477
   92    H    ASN  14           HN       ASN  14   6.261  -7.662   2.938
   93    HA   ASN  14           HA       ASN  14   8.376  -8.593   1.200
   94   1HB   ASN  14           HB2      ASN  14   6.293 -10.283   2.472
   95   2HB   ASN  14           HB1      ASN  14   6.607 -10.577   0.764
   96   1HD2  ASN  14          1HD2      ASN  14   7.404 -12.638   1.293
   97   2HD2  ASN  14          2HD2      ASN  14   8.983 -12.845   1.962
   98    H    ALA  15           HN       ALA  15   6.622  -6.323   1.299
   99    HA   ALA  15           HA       ALA  15   5.845  -6.209  -1.391
  100   1HB   ALA  15           HB1      ALA  15   3.584  -6.536  -1.436
  101   2HB   ALA  15           HB2      ALA  15   3.383  -6.127   0.268
  102   3HB   ALA  15           HB3      ALA  15   4.034  -7.701  -0.190
  103    H    LYS  16           HN       LYS  16   5.880  -4.125  -1.963
  104    HA   LYS  16           HA       LYS  16   5.743  -2.122   0.165
  105   1HB   LYS  16           HB2      LYS  16   7.748  -1.977  -1.115
  106   2HB   LYS  16           HB1      LYS  16   6.863  -2.037  -2.631
  107   1HG   LYS  16           HG2      LYS  16   6.723   0.171  -2.675
  108   2HG   LYS  16           HG1      LYS  16   5.936   0.186  -1.097
  109   1HD   LYS  16           HD2      LYS  16   7.777   1.348  -0.494
  110   2HD   LYS  16           HD1      LYS  16   8.488  -0.261  -0.352
  111   1HE   LYS  16           HE2      LYS  16   8.577   1.346  -2.893
  112   2HE   LYS  16           HE1      LYS  16   9.825   1.453  -1.653
  113   1HZ   LYS  16           HZ1      LYS  16   9.937  -0.252  -3.673
  114   2HZ   LYS  16           HZ2      LYS  16   9.123  -1.223  -2.553
  115   3HZ   LYS  16           HZ3      LYS  16  10.635  -0.573  -2.165
  116    HA   PRO  17           HA       PRO  17   1.720  -0.917  -1.306
  117   1HB   PRO  17           HB2      PRO  17   1.417   1.313   0.182
  118   2HB   PRO  17           HB1      PRO  17   1.318  -0.308   0.881
  119   1HG   PRO  17           HG2      PRO  17   3.609   1.621   0.886
  120   2HG   PRO  17           HG1      PRO  17   2.996   0.610   2.207
  121   1HD   PRO  17           HD2      PRO  17   5.177  -0.053   0.718
  122   2HD   PRO  17           HD1      PRO  17   4.105  -1.259   1.456
  123    H    THR  18           HN       THR  18   0.872   0.444  -2.823
  124    HA   THR  18           HA       THR  18   2.484   2.740  -3.672
  125    HB   THR  18           HB       THR  18   2.897   0.774  -5.153
  126    HG1  THR  18           HG1      THR  18   1.530   2.900  -6.435
  127   1HG2  THR  18          1HG2      THR  18   0.580   0.954  -6.748
  128   2HG2  THR  18          2HG2      THR  18   0.086   0.593  -5.095
  129   3HG2  THR  18          3HG2      THR  18   1.243  -0.453  -5.917
  130    H    CYS  19           HN       CYS  19   1.323   4.400  -4.781
  131    HA   CYS  19           HA       CYS  19  -1.568   4.338  -4.217
  132   1HB   CYS  19           HB2      CYS  19   0.493   6.413  -3.783
  133   2HB   CYS  19           HB1      CYS  19  -1.063   6.978  -4.380
  134    H    ASP  20           HN       ASP  20  -2.800   4.275  -5.961
  135    HA   ASP  20           HA       ASP  20  -1.919   5.656  -8.376
  136   1HB   ASP  20           HB2      ASP  20  -1.790   3.034  -8.303
  137   2HB   ASP  20           HB1      ASP  20  -3.526   3.148  -8.565
  138    H    ASP  21           HN       ASP  21  -3.264   7.365  -8.450
  139    HA   ASP  21           HA       ASP  21  -5.171   8.612  -8.444
  140   1HB   ASP  21           HB2      ASP  21  -5.950   6.042  -9.750
  141   2HB   ASP  21           HB1      ASP  21  -7.220   7.202  -9.372
  142    H    GLY  22           HN       GLY  22  -4.619   7.865  -5.960
  143   1HA   GLY  22           HA2      GLY  22  -5.548   7.746  -3.883
  144   2HA   GLY  22           HA1      GLY  22  -7.098   7.956  -4.667
  145    H    VAL  23           HN       VAL  23  -5.266   5.306  -5.798
  146    HA   VAL  23           HA       VAL  23  -6.905   3.470  -4.176
  147    HB   VAL  23           HB       VAL  23  -5.839   2.973  -6.958
  148   1HG1  VAL  23          1HG1      VAL  23  -7.823   1.196  -6.629
  149   2HG1  VAL  23          2HG1      VAL  23  -7.265   1.330  -4.962
  150   3HG1  VAL  23          3HG1      VAL  23  -6.140   0.852  -6.233
  151   1HG2  VAL  23          1HG2      VAL  23  -7.747   3.750  -7.870
  152   2HG2  VAL  23          2HG2      VAL  23  -7.849   4.690  -6.382
  153   3HG2  VAL  23          3HG2      VAL  23  -8.743   3.177  -6.532
  154    H    CYS  24           HN       CYS  24  -5.584   2.745  -2.607
  155    HA   CYS  24           HA       CYS  24  -2.780   2.397  -2.942
  156   1HB   CYS  24           HB2      CYS  24  -4.025   2.857  -0.764
  157   2HB   CYS  24           HB1      CYS  24  -4.458   1.150  -0.768
  158    H    ASN  25           HN       ASN  25  -1.574   0.488  -3.042
  159    HA   ASN  25           HA       ASN  25  -2.848  -2.067  -3.266
  160   1HB   ASN  25           HB2      ASN  25  -2.442  -0.514  -5.634
  161   2HB   ASN  25           HB1      ASN  25  -1.417  -1.943  -5.690
  162   1HD2  ASN  25          1HD2      ASN  25  -2.782  -2.544  -7.490
  163   2HD2  ASN  25          2HD2      ASN  25  -4.289  -3.332  -7.183
  164    H    CYS  26           HN       CYS  26  -1.506  -3.501  -2.439
  165    HA   CYS  26           HA       CYS  26   1.340  -2.836  -2.248
  166   1HB   CYS  26           HB2      CYS  26   1.404  -4.633  -0.524
  167   2HB   CYS  26           HB1      CYS  26   0.288  -3.331  -0.129
  168    H    ASN  27           HN       ASN  27   2.873  -3.960  -3.290
  169    HA   ASN  27           HA       ASN  27   2.201  -6.565  -4.438
  170   1HB   ASN  27           HB2      ASN  27   3.192  -4.163  -5.946
  171   2HB   ASN  27           HB1      ASN  27   3.480  -5.797  -6.537
  172   1HD2  ASN  27          1HD2      ASN  27   1.190  -3.279  -6.106
  173   2HD2  ASN  27          2HD2      ASN  27  -0.133  -4.043  -6.913
  174    H    VAL  28           HN       VAL  28   4.988  -4.513  -5.016
  175    HA   VAL  28           HA       VAL  28   6.643  -6.160  -3.266
  176    HB   VAL  28           HB       VAL  28   7.414  -5.722  -6.151
  177   1HG1  VAL  28          1HG1      VAL  28   8.652  -7.840  -4.523
  178   2HG1  VAL  28          2HG1      VAL  28   9.033  -6.186  -4.044
  179   3HG1  VAL  28          3HG1      VAL  28   9.375  -6.730  -5.687
  180   1HG2  VAL  28          1HG2      VAL  28   7.085  -8.313  -6.153
  181   2HG2  VAL  28          2HG2      VAL  28   5.704  -7.246  -6.405
  182   3HG2  VAL  28          3HG2      VAL  28   5.976  -7.977  -4.824
  Start of MODEL   14
    1   1H    VAL   1           HT1      VAL   1  -7.761   7.638   5.211
    2   2H    VAL   1           HT2      VAL   1  -8.843   6.308   5.292
    3   3H    VAL   1           HT3      VAL   1  -9.193   7.641   4.269
    4    HA   VAL   1           HA       VAL   1  -7.237   5.503   3.963
    5    HB   VAL   1           HB       VAL   1  -8.881   6.841   1.834
    6   1HG1  VAL   1          1HG1      VAL   1  -7.394   4.282   2.155
    7   2HG1  VAL   1          2HG1      VAL   1  -7.426   5.407   0.798
    8   3HG1  VAL   1          3HG1      VAL   1  -8.791   4.326   1.080
    9   1HG2  VAL   1          1HG2      VAL   1  -9.805   4.962   3.949
   10   2HG2  VAL   1          2HG2      VAL   1 -10.433   4.763   2.313
   11   3HG2  VAL   1          3HG2      VAL   1 -10.660   6.290   3.166
   12    H    GLY   2           HN       GLY   2  -5.761   5.771   2.079
   13   1HA   GLY   2           HA2      GLY   2  -5.002   7.909   0.693
   14   2HA   GLY   2           HA1      GLY   2  -4.423   8.347   2.293
   15    H    CYS   3           HN       CYS   3  -2.610   8.184   0.309
   16    HA   CYS   3           HA       CYS   3  -1.433   5.674  -0.123
   17   1HB   CYS   3           HB2      CYS   3  -0.872   8.383  -0.787
   18   2HB   CYS   3           HB1      CYS   3   0.593   7.692  -0.098
   19    H    GLU   4           HN       GLU   4  -1.241   7.893   2.552
   20    HA   GLU   4           HA       GLU   4   1.024   6.535   3.740
   21   1HB   GLU   4           HB2      GLU   4  -0.696   8.836   4.624
   22   2HB   GLU   4           HB1      GLU   4   0.563   8.152   5.643
   23   1HG   GLU   4           HG2      GLU   4   2.053   8.581   3.519
   24   2HG   GLU   4           HG1      GLU   4   0.796   9.764   3.158
   25    H    GLU   5           HN       GLU   5  -2.043   5.702   3.436
   26    HA   GLU   5           HA       GLU   5  -2.405   4.713   6.162
   27   1HB   GLU   5           HB2      GLU   5  -4.269   5.050   3.831
   28   2HB   GLU   5           HB1      GLU   5  -4.699   4.027   5.195
   29   1HG   GLU   5           HG2      GLU   5  -3.764   6.561   6.144
   30   2HG   GLU   5           HG1      GLU   5  -5.031   6.799   4.940
   31    H    CYS   6           HN       CYS   6  -1.736   3.663   2.921
   32    HA   CYS   6           HA       CYS   6  -2.401   0.948   3.244
   33   1HB   CYS   6           HB2      CYS   6  -0.376   2.118   1.353
   34   2HB   CYS   6           HB1      CYS   6  -1.193   0.568   1.186
   35    HA   PRO   7           HA       PRO   7   2.494   0.678   4.104
   36   1HB   PRO   7           HB2      PRO   7   2.398   3.017   5.953
   37   2HB   PRO   7           HB1      PRO   7   3.711   2.462   4.909
   38   1HG   PRO   7           HG2      PRO   7   2.231   4.586   4.249
   39   2HG   PRO   7           HG1      PRO   7   2.803   3.443   3.019
   40   1HD   PRO   7           HD2      PRO   7   0.074   3.776   4.169
   41   2HD   PRO   7           HD1      PRO   7   0.557   3.275   2.541
   42    H    MET   8           HN       MET   8  -0.177   1.627   6.145
   43    HA   MET   8           HA       MET   8   0.808  -0.107   8.299
   44   1HB   MET   8           HB2      MET   8   0.204   2.249   8.864
   45   2HB   MET   8           HB1      MET   8  -1.452   1.896   8.391
   46   1HG   MET   8           HG2      MET   8  -1.512   0.129  10.132
   47   2HG   MET   8           HG1      MET   8   0.088   0.652  10.655
   48   1HE   MET   8           HE1      MET   8  -3.316   2.563   9.637
   49   2HE   MET   8           HE2      MET   8  -3.900   2.820  11.281
   50   3HE   MET   8           HE3      MET   8  -3.654   1.181  10.679
   51    H    HIS   9           HN       HIS   9  -1.933   0.445   6.139
   52    HA   HIS   9           HA       HIS   9  -3.320  -1.856   7.254
   53   1HB   HIS   9           HB2      HIS   9  -5.237  -1.142   6.112
   54   2HB   HIS   9           HB1      HIS   9  -4.458   0.344   6.614
   55    HD1  HIS   9           HD1      HIS   9  -4.175  -1.808   3.458
   56    HD2  HIS   9           HD2      HIS   9  -4.768   2.120   4.657
   57    HE1  HIS   9           HE1      HIS   9  -4.388  -0.485   1.333
   58    HE2  HIS   9           HE2      HIS   9  -4.842   1.877   2.083
   59    H    CYS  10           HN       CYS  10  -0.781  -1.913   5.519
   60    HA   CYS  10           HA       CYS  10  -1.786  -3.960   3.658
   61   1HB   CYS  10           HB2      CYS  10  -1.121  -1.995   2.366
   62   2HB   CYS  10           HB1      CYS  10   0.455  -1.991   3.150
   63    H    LYS  11           HN       LYS  11  -1.273  -5.733   4.872
   64    HA   LYS  11           HA       LYS  11   1.067  -6.055   6.392
   65   1HB   LYS  11           HB2      LYS  11  -1.126  -7.434   6.395
   66   2HB   LYS  11           HB1      LYS  11  -0.364  -8.362   5.111
   67   1HG   LYS  11           HG2      LYS  11   0.391  -9.620   6.802
   68   2HG   LYS  11           HG1      LYS  11   1.610  -8.354   6.956
   69   1HD   LYS  11           HD2      LYS  11  -0.381  -7.288   8.433
   70   2HD   LYS  11           HD1      LYS  11  -0.681  -9.007   8.696
   71   1HE   LYS  11           HE2      LYS  11   0.846  -8.798  10.328
   72   2HE   LYS  11           HE1      LYS  11   2.014  -8.886   9.010
   73   1HZ   LYS  11           HZ1      LYS  11   2.015  -6.927  10.759
   74   2HZ   LYS  11           HZ2      LYS  11   0.922  -6.257   9.657
   75   3HZ   LYS  11           HZ3      LYS  11   2.477  -6.687   9.149
   76    H    GLY  12           HN       GLY  12   2.969  -7.284   5.967
   77   1HA   GLY  12           HA2      GLY  12   4.104  -8.691   4.221
   78   2HA   GLY  12           HA1      GLY  12   3.603  -7.445   3.088
   79    H    LYS  13           HN       LYS  13   5.999  -8.482   5.221
   80    HA   LYS  13           HA       LYS  13   7.244  -6.119   6.010
   81   1HB   LYS  13           HB2      LYS  13   7.815  -8.439   6.783
   82   2HB   LYS  13           HB1      LYS  13   8.641  -8.686   5.250
   83   1HG   LYS  13           HG2      LYS  13  10.389  -7.344   5.814
   84   2HG   LYS  13           HG1      LYS  13   9.409  -6.320   6.865
   85   1HD   LYS  13           HD2      LYS  13  10.554  -7.430   8.480
   86   2HD   LYS  13           HD1      LYS  13   9.262  -8.609   8.242
   87   1HE   LYS  13           HE2      LYS  13  11.633  -8.843   6.486
   88   2HE   LYS  13           HE1      LYS  13  11.859  -9.254   8.185
   89   1HZ   LYS  13           HZ1      LYS  13  10.529 -11.061   8.020
   90   2HZ   LYS  13           HZ2      LYS  13  11.032 -11.006   6.407
   91   3HZ   LYS  13           HZ3      LYS  13   9.524 -10.377   6.843
   92    H    ASN  14           HN       ASN  14   7.026  -7.593   2.919
   93    HA   ASN  14           HA       ASN  14   8.825  -5.569   1.834
   94   1HB   ASN  14           HB2      ASN  14   9.796  -7.920   1.819
   95   2HB   ASN  14           HB1      ASN  14   8.538  -8.328   0.657
   96   1HD2  ASN  14          1HD2      ASN  14  10.803  -5.635   1.140
   97   2HD2  ASN  14          2HD2      ASN  14  11.388  -5.615  -0.485
   98    H    ALA  15           HN       ALA  15   6.040  -5.336   2.166
   99    HA   ALA  15           HA       ALA  15   5.090  -5.489  -0.612
  100   1HB   ALA  15           HB1      ALA  15   3.877  -6.811   1.232
  101   2HB   ALA  15           HB2      ALA  15   2.909  -5.838   0.124
  102   3HB   ALA  15           HB3      ALA  15   3.259  -5.241   1.746
  103    H    LYS  16           HN       LYS  16   5.667  -3.512  -1.396
  104    HA   LYS  16           HA       LYS  16   5.152  -1.122   0.164
  105   1HB   LYS  16           HB2      LYS  16   7.192  -1.049  -1.017
  106   2HB   LYS  16           HB1      LYS  16   6.451  -1.619  -2.504
  107   1HG   LYS  16           HG2      LYS  16   5.751   0.443  -3.102
  108   2HG   LYS  16           HG1      LYS  16   5.431   0.936  -1.438
  109   1HD   LYS  16           HD2      LYS  16   8.264   0.492  -2.157
  110   2HD   LYS  16           HD1      LYS  16   7.477   1.889  -2.895
  111   1HE   LYS  16           HE2      LYS  16   6.995   1.528  -0.012
  112   2HE   LYS  16           HE1      LYS  16   8.655   1.917  -0.462
  113   1HZ   LYS  16           HZ1      LYS  16   6.206   3.501  -0.957
  114   2HZ   LYS  16           HZ2      LYS  16   7.639   3.787  -1.810
  115   3HZ   LYS  16           HZ3      LYS  16   7.607   3.963  -0.128
  116    HA   PRO  17           HA       PRO  17   1.190  -0.554  -1.794
  117   1HB   PRO  17           HB2      PRO  17   0.452   1.670  -0.514
  118   2HB   PRO  17           HB1      PRO  17   0.584   0.127   0.340
  119   1HG   PRO  17           HG2      PRO  17   2.497   2.427   0.276
  120   2HG   PRO  17           HG1      PRO  17   2.003   1.419   1.648
  121   1HD   PRO  17           HD2      PRO  17   4.341   1.080   0.213
  122   2HD   PRO  17           HD1      PRO  17   3.549  -0.191   1.164
  123    H    THR  18           HN       THR  18   0.220   0.759  -3.351
  124    HA   THR  18           HA       THR  18   1.731   3.084  -4.283
  125    HB   THR  18           HB       THR  18   2.319   1.032  -5.620
  126    HG1  THR  18           HG1      THR  18   2.426   3.225  -6.438
  127   1HG2  THR  18          1HG2      THR  18  -0.463   0.741  -5.737
  128   2HG2  THR  18          2HG2      THR  18   0.773  -0.247  -6.514
  129   3HG2  THR  18          3HG2      THR  18   0.084   1.136  -7.364
  130    H    CYS  19           HN       CYS  19   0.506   4.637  -5.445
  131    HA   CYS  19           HA       CYS  19  -2.389   4.389  -4.975
  132   1HB   CYS  19           HB2      CYS  19  -0.526   6.743  -4.934
  133   2HB   CYS  19           HB1      CYS  19  -2.247   6.976  -5.219
  134    H    ASP  20           HN       ASP  20  -3.575   4.070  -6.725
  135    HA   ASP  20           HA       ASP  20  -2.742   5.289  -9.246
  136   1HB   ASP  20           HB2      ASP  20  -2.496   2.691  -8.943
  137   2HB   ASP  20           HB1      ASP  20  -4.233   2.702  -9.221
  138    H    ASP  21           HN       ASP  21  -4.158   6.939  -9.434
  139    HA   ASP  21           HA       ASP  21  -6.121   8.093  -9.535
  140   1HB   ASP  21           HB2      ASP  21  -6.752   5.412 -10.686
  141   2HB   ASP  21           HB1      ASP  21  -8.087   6.521 -10.389
  142    H    GLY  22           HN       GLY  22  -5.572   7.545  -7.003
  143   1HA   GLY  22           HA2      GLY  22  -6.520   7.513  -4.933
  144   2HA   GLY  22           HA1      GLY  22  -8.070   7.586  -5.743
  145    H    VAL  23           HN       VAL  23  -6.068   4.972  -6.669
  146    HA   VAL  23           HA       VAL  23  -7.626   3.158  -4.944
  147    HB   VAL  23           HB       VAL  23  -6.527   2.544  -7.687
  148   1HG1  VAL  23          1HG1      VAL  23  -6.770   0.625  -6.123
  149   2HG1  VAL  23          2HG1      VAL  23  -7.795   0.509  -7.553
  150   3HG1  VAL  23          3HG1      VAL  23  -8.491   0.992  -6.006
  151   1HG2  VAL  23          1HG2      VAL  23  -8.232   3.907  -8.309
  152   2HG2  VAL  23          2HG2      VAL  23  -9.113   3.678  -6.799
  153   3HG2  VAL  23          3HG2      VAL  23  -9.169   2.436  -8.049
  154    H    CYS  24           HN       CYS  24  -6.262   2.613  -3.332
  155    HA   CYS  24           HA       CYS  24  -3.457   2.433  -3.575
  156   1HB   CYS  24           HB2      CYS  24  -4.555   2.796  -1.417
  157   2HB   CYS  24           HB1      CYS  24  -5.296   1.202  -1.509
  158    H    ASN  25           HN       ASN  25  -2.088   0.640  -3.695
  159    HA   ASN  25           HA       ASN  25  -3.128  -2.011  -3.998
  160   1HB   ASN  25           HB2      ASN  25  -2.816  -0.384  -6.326
  161   2HB   ASN  25           HB1      ASN  25  -1.656  -1.705  -6.383
  162   1HD2  ASN  25          1HD2      ASN  25  -4.888  -0.775  -6.784
  163   2HD2  ASN  25          2HD2      ASN  25  -5.553  -2.340  -7.086
  164    H    CYS  26           HN       CYS  26  -1.687  -3.339  -3.162
  165    HA   CYS  26           HA       CYS  26   1.070  -2.426  -2.836
  166   1HB   CYS  26           HB2      CYS  26  -0.394  -4.763  -1.591
  167   2HB   CYS  26           HB1      CYS  26   1.263  -4.296  -1.225
  168    H    ASN  27           HN       ASN  27   2.843  -3.961  -3.184
  169    HA   ASN  27           HA       ASN  27   2.283  -6.112  -5.069
  170   1HB   ASN  27           HB2      ASN  27   3.717  -3.603  -5.711
  171   2HB   ASN  27           HB1      ASN  27   4.438  -5.093  -6.311
  172   1HD2  ASN  27          1HD2      ASN  27   3.205  -2.885  -7.763
  173   2HD2  ASN  27          2HD2      ASN  27   1.929  -3.581  -8.696
  174    H    VAL  28           HN       VAL  28   5.333  -4.536  -4.355
  175    HA   VAL  28           HA       VAL  28   6.126  -6.566  -2.462
  176    HB   VAL  28           HB       VAL  28   6.523  -7.699  -4.615
  177   1HG1  VAL  28          1HG1      VAL  28   8.344  -5.358  -5.150
  178   2HG1  VAL  28          2HG1      VAL  28   6.911  -5.828  -6.065
  179   3HG1  VAL  28          3HG1      VAL  28   8.345  -6.855  -6.082
  180   1HG2  VAL  28          1HG2      VAL  28   8.075  -7.789  -2.497
  181   2HG2  VAL  28          2HG2      VAL  28   9.244  -7.047  -3.590
  182   3HG2  VAL  28          3HG2      VAL  28   8.533  -8.611  -3.990
  Start of MODEL   15
    1   1H    VAL   1           HT1      VAL   1  -8.424   7.607   6.224
    2   2H    VAL   1           HT2      VAL   1  -8.725   8.155   4.626
    3   3H    VAL   1           HT3      VAL   1  -7.537   8.930   5.592
    4    HA   VAL   1           HA       VAL   1  -6.055   7.279   5.383
    5    HB   VAL   1           HB       VAL   1  -6.725   4.995   4.517
    6   1HG1  VAL   1          1HG1      VAL   1  -7.927   4.461   6.798
    7   2HG1  VAL   1          2HG1      VAL   1  -7.471   6.124   7.168
    8   3HG1  VAL   1          3HG1      VAL   1  -6.231   4.941   6.752
    9   1HG2  VAL   1          1HG2      VAL   1  -9.487   5.437   5.448
   10   2HG2  VAL   1          2HG2      VAL   1  -8.876   4.411   4.151
   11   3HG2  VAL   1          3HG2      VAL   1  -9.079   6.142   3.884
   12    H    GLY   2           HN       GLY   2  -4.765   7.136   3.618
   13   1HA   GLY   2           HA2      GLY   2  -5.979   7.172   0.956
   14   2HA   GLY   2           HA1      GLY   2  -4.943   8.523   1.390
   15    H    CYS   3           HN       CYS   3  -2.793   8.327   1.142
   16    HA   CYS   3           HA       CYS   3  -1.784   5.684   0.325
   17   1HB   CYS   3           HB2      CYS   3  -1.697   8.052  -1.072
   18   2HB   CYS   3           HB1      CYS   3  -0.107   8.004  -0.319
   19    H    GLU   4           HN       GLU   4  -0.943   8.618   2.130
   20    HA   GLU   4           HA       GLU   4   1.501   7.799   3.137
   21   1HB   GLU   4           HB2      GLU   4   0.787   9.318   5.150
   22   2HB   GLU   4           HB1      GLU   4   1.128  10.022   3.577
   23   1HG   GLU   4           HG2      GLU   4  -1.139  10.348   3.109
   24   2HG   GLU   4           HG1      GLU   4  -1.650   9.238   4.380
   25    H    GLU   5           HN       GLU   5  -1.613   6.870   3.993
   26    HA   GLU   5           HA       GLU   5  -0.633   5.365   6.311
   27   1HB   GLU   5           HB2      GLU   5  -3.424   6.279   5.623
   28   2HB   GLU   5           HB1      GLU   5  -3.045   5.218   6.972
   29   1HG   GLU   5           HG2      GLU   5  -2.860   7.064   8.188
   30   2HG   GLU   5           HG1      GLU   5  -1.334   7.336   7.349
   31    H    CYS   6           HN       CYS   6  -0.519   4.639   3.401
   32    HA   CYS   6           HA       CYS   6  -2.363   2.468   3.110
   33   1HB   CYS   6           HB2      CYS   6  -1.257   3.961   1.264
   34   2HB   CYS   6           HB1      CYS   6   0.034   2.769   1.365
   35    HA   PRO   7           HA       PRO   7   2.016   0.127   3.609
   36   1HB   PRO   7           HB2      PRO   7   2.822   1.925   5.852
   37   2HB   PRO   7           HB1      PRO   7   3.827   1.094   4.659
   38   1HG   PRO   7           HG2      PRO   7   3.329   3.708   4.452
   39   2HG   PRO   7           HG1      PRO   7   3.416   2.673   3.015
   40   1HD   PRO   7           HD2      PRO   7   1.032   3.858   4.350
   41   2HD   PRO   7           HD1      PRO   7   1.297   3.487   2.639
   42    H    MET   8           HN       MET   8  -0.039   1.626   6.018
   43    HA   MET   8           HA       MET   8   0.323  -0.502   7.938
   44   1HB   MET   8           HB2      MET   8  -0.292   2.056   8.294
   45   2HB   MET   8           HB1      MET   8  -1.932   1.439   8.139
   46   1HG   MET   8           HG2      MET   8  -1.722   1.217  10.369
   47   2HG   MET   8           HG1      MET   8  -1.000  -0.322   9.905
   48   1HE   MET   8           HE1      MET   8   2.007   0.680   8.826
   49   2HE   MET   8           HE2      MET   8   1.445  -0.767   9.663
   50   3HE   MET   8           HE3      MET   8   2.755   0.195  10.348
   51    H    HIS   9           HN       HIS   9  -1.888   0.315   5.381
   52    HA   HIS   9           HA       HIS   9  -4.006  -1.406   6.198
   53   1HB   HIS   9           HB2      HIS   9  -3.327   0.108   3.714
   54   2HB   HIS   9           HB1      HIS   9  -4.552  -1.152   3.624
   55    HD1  HIS   9           HD1      HIS   9  -6.111  -0.731   6.168
   56    HD2  HIS   9           HD2      HIS   9  -4.741   2.404   3.814
   57    HE1  HIS   9           HE1      HIS   9  -7.594   1.224   6.723
   58    HE2  HIS   9           HE2      HIS   9  -6.695   3.132   5.344
   59    H    CYS  10           HN       CYS  10  -2.243  -1.749   3.138
   60    HA   CYS  10           HA       CYS  10  -2.632  -4.566   3.103
   61   1HB   CYS  10           HB2      CYS  10  -1.059  -4.471   1.121
   62   2HB   CYS  10           HB1      CYS  10  -2.506  -3.477   0.993
   63    H    LYS  11           HN       LYS  11  -1.571  -5.990   4.285
   64    HA   LYS  11           HA       LYS  11   0.853  -5.392   5.651
   65   1HB   LYS  11           HB2      LYS  11  -0.940  -7.018   6.400
   66   2HB   LYS  11           HB1      LYS  11  -0.324  -8.133   5.188
   67   1HG   LYS  11           HG2      LYS  11   1.780  -8.291   6.291
   68   2HG   LYS  11           HG1      LYS  11   1.362  -6.978   7.394
   69   1HD   LYS  11           HD2      LYS  11  -0.334  -8.322   8.439
   70   2HD   LYS  11           HD1      LYS  11  -0.117  -9.602   7.243
   71   1HE   LYS  11           HE2      LYS  11   1.911 -10.270   8.135
   72   2HE   LYS  11           HE1      LYS  11   2.200  -8.712   8.907
   73   1HZ   LYS  11           HZ1      LYS  11   0.570 -10.967   9.823
   74   2HZ   LYS  11           HZ2      LYS  11   0.082  -9.406  10.255
   75   3HZ   LYS  11           HZ3      LYS  11   1.615  -9.966  10.699
   76    H    GLY  12           HN       GLY  12   2.819  -6.791   5.472
   77   1HA   GLY  12           HA2      GLY  12   3.801  -8.411   3.706
   78   2HA   GLY  12           HA1      GLY  12   3.520  -7.047   2.636
   79    H    LYS  13           HN       LYS  13   5.625  -8.482   4.875
   80    HA   LYS  13           HA       LYS  13   7.105  -6.307   5.808
   81   1HB   LYS  13           HB2      LYS  13   8.047  -9.104   5.153
   82   2HB   LYS  13           HB1      LYS  13   8.951  -7.934   6.105
   83   1HG   LYS  13           HG2      LYS  13   6.224  -8.957   6.857
   84   2HG   LYS  13           HG1      LYS  13   7.738  -9.651   7.440
   85   1HD   LYS  13           HD2      LYS  13   8.163  -7.901   8.824
   86   2HD   LYS  13           HD1      LYS  13   7.412  -6.725   7.743
   87   1HE   LYS  13           HE2      LYS  13   5.780  -6.709   9.290
   88   2HE   LYS  13           HE1      LYS  13   5.255  -8.182   8.476
   89   1HZ   LYS  13           HZ1      LYS  13   6.222  -9.513  10.112
   90   2HZ   LYS  13           HZ2      LYS  13   5.497  -8.260  10.986
   91   3HZ   LYS  13           HZ3      LYS  13   7.168  -8.254  10.729
   92    H    ASN  14           HN       ASN  14   6.921  -7.719   2.687
   93    HA   ASN  14           HA       ASN  14   8.992  -5.900   1.750
   94   1HB   ASN  14           HB2      ASN  14   9.448  -8.561   1.827
   95   2HB   ASN  14           HB1      ASN  14   8.682  -8.430   0.247
   96   1HD2  ASN  14          1HD2      ASN  14  10.881  -9.221  -0.344
   97   2HD2  ASN  14          2HD2      ASN  14  12.094  -8.032  -0.660
   98    H    ALA  15           HN       ALA  15   6.186  -5.539   1.878
   99    HA   ALA  15           HA       ALA  15   5.544  -5.427  -0.988
  100   1HB   ALA  15           HB1      ALA  15   4.184  -6.964   0.761
  101   2HB   ALA  15           HB2      ALA  15   3.465  -6.244  -0.680
  102   3HB   ALA  15           HB3      ALA  15   3.275  -5.458   0.888
  103    H    LYS  16           HN       LYS  16   5.955  -3.343  -1.479
  104    HA   LYS  16           HA       LYS  16   5.293  -1.222   0.367
  105   1HB   LYS  16           HB2      LYS  16   7.339  -0.982  -0.852
  106   2HB   LYS  16           HB1      LYS  16   6.520  -1.222  -2.388
  107   1HG   LYS  16           HG2      LYS  16   5.281   0.970  -1.107
  108   2HG   LYS  16           HG1      LYS  16   7.025   1.198  -0.981
  109   1HD   LYS  16           HD2      LYS  16   5.945   0.337  -3.607
  110   2HD   LYS  16           HD1      LYS  16   5.630   1.999  -3.103
  111   1HE   LYS  16           HE2      LYS  16   7.651   1.982  -4.381
  112   2HE   LYS  16           HE1      LYS  16   8.074   2.264  -2.693
  113   1HZ   LYS  16           HZ1      LYS  16   9.587   0.681  -3.583
  114   2HZ   LYS  16           HZ2      LYS  16   8.338  -0.275  -4.205
  115   3HZ   LYS  16           HZ3      LYS  16   8.556  -0.154  -2.532
  116    HA   PRO  17           HA       PRO  17   1.209  -0.634  -1.284
  117   1HB   PRO  17           HB2      PRO  17   0.726   1.814  -0.199
  118   2HB   PRO  17           HB1      PRO  17   0.640   0.309   0.720
  119   1HG   PRO  17           HG2      PRO  17   2.851   2.319   0.578
  120   2HG   PRO  17           HG1      PRO  17   2.211   1.455   1.989
  121   1HD   PRO  17           HD2      PRO  17   4.499   0.715   0.745
  122   2HD   PRO  17           HD1      PRO  17   3.413  -0.456   1.521
  123    H    THR  18           HN       THR  18   0.385   0.230  -3.094
  124    HA   THR  18           HA       THR  18   1.779   2.509  -4.314
  125    HB   THR  18           HB       THR  18   0.624   1.033  -6.360
  126    HG1  THR  18           HG1      THR  18   2.150  -0.630  -4.657
  127   1HG2  THR  18          1HG2      THR  18   3.518   0.844  -5.683
  128   2HG2  THR  18          2HG2      THR  18   2.803   2.346  -6.274
  129   3HG2  THR  18          3HG2      THR  18   2.746   0.890  -7.269
  130    H    CYS  19           HN       CYS  19   0.540   4.053  -5.312
  131    HA   CYS  19           HA       CYS  19  -2.350   3.816  -4.847
  132   1HB   CYS  19           HB2      CYS  19  -0.440   6.086  -4.737
  133   2HB   CYS  19           HB1      CYS  19  -2.067   6.433  -5.309
  134    H    ASP  20           HN       ASP  20  -3.588   3.494  -6.561
  135    HA   ASP  20           HA       ASP  20  -2.762   4.587  -9.138
  136   1HB   ASP  20           HB2      ASP  20  -2.521   2.004  -8.725
  137   2HB   ASP  20           HB1      ASP  20  -4.259   2.009  -8.994
  138    H    ASP  21           HN       ASP  21  -4.178   6.207  -9.444
  139    HA   ASP  21           HA       ASP  21  -6.136   7.363  -9.593
  140   1HB   ASP  21           HB2      ASP  21  -6.769   4.623 -10.577
  141   2HB   ASP  21           HB1      ASP  21  -8.119   5.721 -10.304
  142    H    GLY  22           HN       GLY  22  -5.561   6.970  -7.034
  143   1HA   GLY  22           HA2      GLY  22  -6.501   7.106  -4.962
  144   2HA   GLY  22           HA1      GLY  22  -8.056   7.104  -5.764
  145    H    VAL  23           HN       VAL  23  -6.058   4.442  -6.519
  146    HA   VAL  23           HA       VAL  23  -7.629   2.746  -4.692
  147    HB   VAL  23           HB       VAL  23  -6.343   1.908  -7.293
  148   1HG1  VAL  23          1HG1      VAL  23  -8.564   0.374  -6.117
  149   2HG1  VAL  23          2HG1      VAL  23  -7.047   0.330  -5.219
  150   3HG1  VAL  23          3HG1      VAL  23  -7.089  -0.184  -6.906
  151   1HG2  VAL  23          1HG2      VAL  23  -9.207   2.649  -6.707
  152   2HG2  VAL  23          2HG2      VAL  23  -8.653   1.868  -8.188
  153   3HG2  VAL  23          3HG2      VAL  23  -8.093   3.491  -7.784
  154    H    CYS  24           HN       CYS  24  -6.341   2.442  -2.956
  155    HA   CYS  24           HA       CYS  24  -3.500   2.167  -3.155
  156   1HB   CYS  24           HB2      CYS  24  -5.402   2.592  -1.085
  157   2HB   CYS  24           HB1      CYS  24  -4.474   1.158  -0.659
  158    H    ASN  25           HN       ASN  25  -2.300   0.379  -3.361
  159    HA   ASN  25           HA       ASN  25  -3.256  -2.215  -2.620
  160   1HB   ASN  25           HB2      ASN  25  -3.675  -1.319  -5.297
  161   2HB   ASN  25           HB1      ASN  25  -2.489  -2.618  -5.311
  162   1HD2  ASN  25          1HD2      ASN  25  -5.686  -1.950  -5.492
  163   2HD2  ASN  25          2HD2      ASN  25  -6.334  -3.470  -4.987
  164    H    CYS  26           HN       CYS  26  -1.575  -3.330  -1.905
  165    HA   CYS  26           HA       CYS  26   1.086  -2.324  -2.207
  166   1HB   CYS  26           HB2      CYS  26  -0.240  -4.460  -0.658
  167   2HB   CYS  26           HB1      CYS  26   1.448  -4.755  -1.057
  168    H    ASN  27           HN       ASN  27   2.914  -3.735  -2.864
  169    HA   ASN  27           HA       ASN  27   2.293  -5.784  -4.821
  170   1HB   ASN  27           HB2      ASN  27   3.274  -3.081  -5.523
  171   2HB   ASN  27           HB1      ASN  27   4.065  -4.432  -6.330
  172   1HD2  ASN  27          1HD2      ASN  27   2.942  -3.008  -8.071
  173   2HD2  ASN  27          2HD2      ASN  27   1.389  -3.574  -8.574
  174    H    VAL  28           HN       VAL  28   5.207  -3.855  -4.516
  175    HA   VAL  28           HA       VAL  28   6.554  -5.898  -2.962
  176    HB   VAL  28           HB       VAL  28   7.637  -5.179  -5.687
  177   1HG1  VAL  28          1HG1      VAL  28   9.463  -6.410  -5.194
  178   2HG1  VAL  28          2HG1      VAL  28   8.553  -7.572  -4.229
  179   3HG1  VAL  28          3HG1      VAL  28   9.017  -6.019  -3.533
  180   1HG2  VAL  28          1HG2      VAL  28   6.170  -7.656  -4.791
  181   2HG2  VAL  28          2HG2      VAL  28   7.068  -7.519  -6.302
  182   3HG2  VAL  28          3HG2      VAL  28   5.656  -6.501  -6.019
  Start of MODEL   16
    1   1H    VAL   1           HT1      VAL   1 -10.546   6.306   0.017
    2   2H    VAL   1           HT2      VAL   1 -10.613   7.097   1.539
    3   3H    VAL   1           HT3      VAL   1 -10.927   5.414   1.430
    4    HA   VAL   1           HA       VAL   1  -8.676   6.256   2.246
    5    HB   VAL   1           HB       VAL   1  -7.576   4.287   1.121
    6   1HG1  VAL   1          1HG1      VAL   1  -8.422   3.568   3.087
    7   2HG1  VAL   1          2HG1      VAL   1  -9.544   2.701   2.038
    8   3HG1  VAL   1          3HG1      VAL   1 -10.023   4.234   2.766
    9   1HG2  VAL   1          1HG2      VAL   1 -10.192   3.429   0.042
   10   2HG2  VAL   1          2HG2      VAL   1  -8.560   3.098  -0.539
   11   3HG2  VAL   1          3HG2      VAL   1  -9.319   4.654  -0.879
   12    H    GLY   2           HN       GLY   2  -6.457   6.408   1.371
   13   1HA   GLY   2           HA2      GLY   2  -6.262   7.406  -1.367
   14   2HA   GLY   2           HA1      GLY   2  -5.856   8.532  -0.081
   15    H    CYS   3           HN       CYS   3  -3.743   8.719   0.177
   16    HA   CYS   3           HA       CYS   3  -2.041   6.385  -0.364
   17   1HB   CYS   3           HB2      CYS   3  -1.830   8.839  -1.449
   18   2HB   CYS   3           HB1      CYS   3  -0.820   9.067  -0.026
   19    H    GLU   4           HN       GLU   4  -3.169   8.438   2.134
   20    HA   GLU   4           HA       GLU   4  -0.954   7.956   3.912
   21   1HB   GLU   4           HB2      GLU   4  -2.567  10.007   3.829
   22   2HB   GLU   4           HB1      GLU   4  -3.607   8.991   4.817
   23   1HG   GLU   4           HG2      GLU   4  -1.230   8.758   6.116
   24   2HG   GLU   4           HG1      GLU   4  -1.146  10.412   5.511
   25    H    GLU   5           HN       GLU   5  -3.282   6.018   2.845
   26    HA   GLU   5           HA       GLU   5  -3.580   4.595   5.396
   27   1HB   GLU   5           HB2      GLU   5  -5.371   4.797   2.996
   28   2HB   GLU   5           HB1      GLU   5  -5.500   3.428   4.091
   29   1HG   GLU   5           HG2      GLU   5  -5.479   6.039   5.414
   30   2HG   GLU   5           HG1      GLU   5  -6.854   5.766   4.344
   31    H    CYS   6           HN       CYS   6  -2.480   4.406   2.119
   32    HA   CYS   6           HA       CYS   6  -2.346   1.704   1.663
   33   1HB   CYS   6           HB2      CYS   6  -0.976   4.074   0.658
   34   2HB   CYS   6           HB1      CYS   6  -0.008   2.608   0.541
   35    HA   PRO   7           HA       PRO   7   1.881   1.500   3.900
   36   1HB   PRO   7           HB2      PRO   7   2.669   3.649   5.349
   37   2HB   PRO   7           HB1      PRO   7   3.018   3.473   3.627
   38   1HG   PRO   7           HG2      PRO   7   0.969   5.146   4.984
   39   2HG   PRO   7           HG1      PRO   7   1.893   5.473   3.509
   40   1HD   PRO   7           HD2      PRO   7  -0.740   4.588   3.595
   41   2HD   PRO   7           HD1      PRO   7   0.326   4.458   2.190
   42    H    MET   8           HN       MET   8  -0.346   0.551   4.901
   43    HA   MET   8           HA       MET   8   0.141   0.141   7.611
   44   1HB   MET   8           HB2      MET   8  -0.621   2.448   7.922
   45   2HB   MET   8           HB1      MET   8  -2.120   2.080   7.080
   46   1HG   MET   8           HG2      MET   8  -2.587   0.386   8.875
   47   2HG   MET   8           HG1      MET   8  -1.207   1.048   9.749
   48   1HE   MET   8           HE1      MET   8  -1.113   3.838  10.273
   49   2HE   MET   8           HE2      MET   8  -2.497   4.869   9.909
   50   3HE   MET   8           HE3      MET   8  -1.610   4.090   8.600
   51    H    HIS   9           HN       HIS   9  -2.282   0.309   5.066
   52    HA   HIS   9           HA       HIS   9  -3.805  -1.891   6.180
   53   1HB   HIS   9           HB2      HIS   9  -4.175   0.111   4.057
   54   2HB   HIS   9           HB1      HIS   9  -4.833  -1.475   3.674
   55    HD1  HIS   9           HD1      HIS   9  -5.989  -2.332   6.337
   56    HD2  HIS   9           HD2      HIS   9  -6.340   1.528   4.840
   57    HE1  HIS   9           HE1      HIS   9  -7.998  -1.346   7.486
   58    HE2  HIS   9           HE2      HIS   9  -8.243   0.959   6.498
   59    H    CYS  10           HN       CYS  10  -1.447  -2.958   5.913
   60    HA   CYS  10           HA       CYS  10  -1.800  -5.043   4.032
   61   1HB   CYS  10           HB2      CYS  10  -0.268  -2.732   3.153
   62   2HB   CYS  10           HB1      CYS  10   0.694  -4.205   3.111
   63    H    LYS  11           HN       LYS  11   1.327  -3.654   4.924
   64    HA   LYS  11           HA       LYS  11   3.025  -4.425   6.219
   65   1HB   LYS  11           HB2      LYS  11   0.730  -5.536   7.838
   66   2HB   LYS  11           HB1      LYS  11   2.401  -5.485   8.381
   67   1HG   LYS  11           HG2      LYS  11   2.250  -2.958   7.957
   68   2HG   LYS  11           HG1      LYS  11   0.504  -3.215   7.925
   69   1HD   LYS  11           HD2      LYS  11   0.388  -3.554  10.149
   70   2HD   LYS  11           HD1      LYS  11   1.898  -4.466  10.189
   71   1HE   LYS  11           HE2      LYS  11   2.832  -1.994   9.634
   72   2HE   LYS  11           HE1      LYS  11   1.405  -1.588  10.588
   73   1HZ   LYS  11           HZ1      LYS  11   2.360  -3.382  12.182
   74   2HZ   LYS  11           HZ2      LYS  11   2.998  -1.816  12.200
   75   3HZ   LYS  11           HZ3      LYS  11   3.821  -3.054  11.394
   76    H    GLY  12           HN       GLY  12   4.345  -5.921   5.448
   77   1HA   GLY  12           HA2      GLY  12   3.608  -8.728   5.650
   78   2HA   GLY  12           HA1      GLY  12   3.953  -8.121   4.038
   79    H    LYS  13           HN       LYS  13   6.029  -7.906   3.391
   80    HA   LYS  13           HA       LYS  13   8.206  -7.737   5.213
   81   1HB   LYS  13           HB2      LYS  13   7.738 -10.123   5.410
   82   2HB   LYS  13           HB1      LYS  13   7.808 -10.293   3.662
   83   1HG   LYS  13           HG2      LYS  13   9.927 -10.903   3.995
   84   2HG   LYS  13           HG1      LYS  13  10.239  -9.181   4.218
   85   1HD   LYS  13           HD2      LYS  13   9.289 -10.673   6.589
   86   2HD   LYS  13           HD1      LYS  13  10.918 -11.046   6.023
   87   1HE   LYS  13           HE2      LYS  13  10.103  -8.194   6.314
   88   2HE   LYS  13           HE1      LYS  13  10.492  -9.120   7.762
   89   1HZ   LYS  13           HZ1      LYS  13  12.561  -8.421   7.279
   90   2HZ   LYS  13           HZ2      LYS  13  12.236  -8.185   5.636
   91   3HZ   LYS  13           HZ3      LYS  13  12.562  -9.739   6.218
   92    H    ASN  14           HN       ASN  14   7.514  -8.922   1.935
   93    HA   ASN  14           HA       ASN  14   9.443  -6.986   0.927
   94   1HB   ASN  14           HB2      ASN  14  10.041  -8.511  -0.832
   95   2HB   ASN  14           HB1      ASN  14  10.132  -9.397   0.687
   96   1HD2  ASN  14          1HD2      ASN  14   9.173  -9.627  -2.407
   97   2HD2  ASN  14          2HD2      ASN  14   7.937 -10.824  -2.256
   98    H    ALA  15           HN       ALA  15   6.673  -6.613   1.493
   99    HA   ALA  15           HA       ALA  15   5.664  -6.154  -1.228
  100   1HB   ALA  15           HB1      ALA  15   4.362  -7.366   1.108
  101   2HB   ALA  15           HB2      ALA  15   4.048  -7.591  -0.613
  102   3HB   ALA  15           HB3      ALA  15   3.388  -6.188   0.227
  103    H    LYS  16           HN       LYS  16   6.108  -4.033  -1.542
  104    HA   LYS  16           HA       LYS  16   5.583  -2.129   0.598
  105   1HB   LYS  16           HB2      LYS  16   7.665  -1.802  -0.528
  106   2HB   LYS  16           HB1      LYS  16   6.888  -1.834  -2.103
  107   1HG   LYS  16           HG2      LYS  16   5.755   0.267  -1.589
  108   2HG   LYS  16           HG1      LYS  16   6.526   0.293  -0.001
  109   1HD   LYS  16           HD2      LYS  16   8.087   1.538  -1.036
  110   2HD   LYS  16           HD1      LYS  16   8.680  -0.016  -1.625
  111   1HE   LYS  16           HE2      LYS  16   6.517   1.209  -3.206
  112   2HE   LYS  16           HE1      LYS  16   8.053   2.073  -3.221
  113   1HZ   LYS  16           HZ1      LYS  16   9.127   0.329  -4.229
  114   2HZ   LYS  16           HZ2      LYS  16   7.602   0.222  -4.951
  115   3HZ   LYS  16           HZ3      LYS  16   8.016  -0.830  -3.694
  116    HA   PRO  17           HA       PRO  17   1.640  -1.120  -1.190
  117   1HB   PRO  17           HB2      PRO  17   0.980   0.905   0.442
  118   2HB   PRO  17           HB1      PRO  17   1.015  -0.770   1.004
  119   1HG   PRO  17           HG2      PRO  17   3.045   1.397   1.374
  120   2HG   PRO  17           HG1      PRO  17   2.471   0.190   2.539
  121   1HD   PRO  17           HD2      PRO  17   4.822  -0.029   1.134
  122   2HD   PRO  17           HD1      PRO  17   3.910  -1.413   1.767
  123    H    THR  18           HN       THR  18   0.807   0.313  -2.649
  124    HA   THR  18           HA       THR  18   2.118   2.881  -3.044
  125    HB   THR  18           HB       THR  18   3.057   0.887  -4.513
  126    HG1  THR  18           HG1      THR  18   2.533   3.539  -5.334
  127   1HG2  THR  18          1HG2      THR  18   0.909   0.315  -5.525
  128   2HG2  THR  18          2HG2      THR  18   2.088   0.857  -6.720
  129   3HG2  THR  18          3HG2      THR  18   0.805   1.944  -6.187
  130    H    CYS  19           HN       CYS  19   0.677   4.441  -3.409
  131    HA   CYS  19           HA       CYS  19  -2.086   3.678  -3.867
  132   1HB   CYS  19           HB2      CYS  19  -2.657   5.915  -3.211
  133   2HB   CYS  19           HB1      CYS  19  -1.455   5.302  -2.080
  134    H    ASP  20           HN       ASP  20  -3.348   4.395  -5.570
  135    HA   ASP  20           HA       ASP  20  -1.982   5.726  -7.772
  136   1HB   ASP  20           HB2      ASP  20  -2.303   3.124  -7.898
  137   2HB   ASP  20           HB1      ASP  20  -3.953   3.557  -8.324
  138    H    ASP  21           HN       ASP  21  -3.026   7.671  -7.524
  139    HA   ASP  21           HA       ASP  21  -4.706   9.212  -7.526
  140   1HB   ASP  21           HB2      ASP  21  -5.642   7.154  -9.507
  141   2HB   ASP  21           HB1      ASP  21  -6.601   8.594  -9.179
  142    H    GLY  22           HN       GLY  22  -4.925   8.066  -5.209
  143   1HA   GLY  22           HA2      GLY  22  -6.495   8.026  -3.520
  144   2HA   GLY  22           HA1      GLY  22  -7.740   7.970  -4.744
  145    H    VAL  23           HN       VAL  23  -5.862   5.629  -5.808
  146    HA   VAL  23           HA       VAL  23  -7.358   3.565  -4.375
  147    HB   VAL  23           HB       VAL  23  -5.582   3.209  -6.790
  148   1HG1  VAL  23          1HG1      VAL  23  -7.683   1.502  -5.475
  149   2HG1  VAL  23          2HG1      VAL  23  -5.977   1.130  -5.724
  150   3HG1  VAL  23          3HG1      VAL  23  -7.075   1.200  -7.103
  151   1HG2  VAL  23          1HG2      VAL  23  -7.623   3.291  -8.139
  152   2HG2  VAL  23          2HG2      VAL  23  -7.335   4.822  -7.311
  153   3HG2  VAL  23          3HG2      VAL  23  -8.557   3.705  -6.702
  154    H    CYS  24           HN       CYS  24  -6.266   1.599  -3.708
  155    HA   CYS  24           HA       CYS  24  -3.447   2.044  -2.982
  156   1HB   CYS  24           HB2      CYS  24  -5.751   1.506  -1.254
  157   2HB   CYS  24           HB1      CYS  24  -4.396   0.417  -0.973
  158    H    ASN  25           HN       ASN  25  -2.072   0.355  -3.228
  159    HA   ASN  25           HA       ASN  25  -2.995  -2.336  -3.540
  160   1HB   ASN  25           HB2      ASN  25  -2.751  -0.695  -5.862
  161   2HB   ASN  25           HB1      ASN  25  -1.516  -1.946  -5.916
  162   1HD2  ASN  25          1HD2      ASN  25  -4.706  -1.201  -6.543
  163   2HD2  ASN  25          2HD2      ASN  25  -5.312  -2.803  -6.774
  164    H    CYS  26           HN       CYS  26  -1.498  -3.623  -2.735
  165    HA   CYS  26           HA       CYS  26   1.229  -2.602  -2.417
  166   1HB   CYS  26           HB2      CYS  26  -0.088  -4.985  -1.097
  167   2HB   CYS  26           HB1      CYS  26   1.497  -4.327  -0.708
  168    H    ASN  27           HN       ASN  27   3.051  -3.895  -2.948
  169    HA   ASN  27           HA       ASN  27   2.625  -6.328  -4.461
  170   1HB   ASN  27           HB2      ASN  27   3.701  -3.809  -5.707
  171   2HB   ASN  27           HB1      ASN  27   4.037  -5.403  -6.375
  172   1HD2  ASN  27          1HD2      ASN  27   1.601  -3.001  -5.769
  173   2HD2  ASN  27          2HD2      ASN  27   0.400  -3.662  -6.819
  174    H    VAL  28           HN       VAL  28   5.391  -4.200  -4.725
  175    HA   VAL  28           HA       VAL  28   6.902  -5.797  -2.810
  176    HB   VAL  28           HB       VAL  28   7.932  -5.395  -5.618
  177   1HG1  VAL  28          1HG1      VAL  28   8.937  -7.106  -3.346
  178   2HG1  VAL  28          2HG1      VAL  28   9.641  -5.576  -3.870
  179   3HG1  VAL  28          3HG1      VAL  28   9.661  -6.972  -4.948
  180   1HG2  VAL  28          1HG2      VAL  28   6.193  -6.926  -5.923
  181   2HG2  VAL  28          2HG2      VAL  28   6.490  -7.714  -4.374
  182   3HG2  VAL  28          3HG2      VAL  28   7.619  -7.942  -5.710
  Start of MODEL   17
    1   1H    VAL   1           HT1      VAL   1  -8.715   5.460   6.529
    2   2H    VAL   1           HT2      VAL   1  -9.529   5.818   5.062
    3   3H    VAL   1           HT3      VAL   1  -8.259   6.834   5.611
    4    HA   VAL   1           HA       VAL   1  -6.664   5.193   5.261
    5    HB   VAL   1           HB       VAL   1  -7.371   3.002   4.212
    6   1HG1  VAL   1          1HG1      VAL   1  -6.598   3.116   6.505
    7   2HG1  VAL   1          2HG1      VAL   1  -7.925   1.961   6.373
    8   3HG1  VAL   1          3HG1      VAL   1  -8.214   3.562   7.053
    9   1HG2  VAL   1          1HG2      VAL   1  -9.815   4.122   4.000
   10   2HG2  VAL   1          2HG2      VAL   1 -10.015   3.206   5.493
   11   3HG2  VAL   1          3HG2      VAL   1  -9.530   2.382   4.011
   12    H    GLY   2           HN       GLY   2  -5.603   5.600   3.429
   13   1HA   GLY   2           HA2      GLY   2  -7.061   5.671   0.894
   14   2HA   GLY   2           HA1      GLY   2  -6.248   7.146   1.397
   15    H    CYS   3           HN       CYS   3  -4.149   7.395   0.916
   16    HA   CYS   3           HA       CYS   3  -2.753   5.073  -0.237
   17   1HB   CYS   3           HB2      CYS   3  -3.082   7.807  -1.133
   18   2HB   CYS   3           HB1      CYS   3  -1.377   7.397  -0.992
   19    H    GLU   4           HN       GLU   4  -2.541   7.709   2.048
   20    HA   GLU   4           HA       GLU   4   0.209   7.082   2.727
   21   1HB   GLU   4           HB2      GLU   4  -1.745   9.137   3.722
   22   2HB   GLU   4           HB1      GLU   4  -0.163   8.912   4.454
   23   1HG   GLU   4           HG2      GLU   4  -0.258   9.303   1.521
   24   2HG   GLU   4           HG1      GLU   4  -0.619  10.695   2.541
   25    H    GLU   5           HN       GLU   5  -2.561   5.637   3.394
   26    HA   GLU   5           HA       GLU   5  -1.837   4.990   6.164
   27   1HB   GLU   5           HB2      GLU   5  -4.526   4.695   4.829
   28   2HB   GLU   5           HB1      GLU   5  -4.164   4.334   6.510
   29   1HG   GLU   5           HG2      GLU   5  -3.318   6.928   6.258
   30   2HG   GLU   5           HG1      GLU   5  -4.744   6.878   5.222
   31    H    CYS   6           HN       CYS   6  -1.518   3.802   3.129
   32    HA   CYS   6           HA       CYS   6  -2.328   1.119   3.459
   33   1HB   CYS   6           HB2      CYS   6  -0.246   2.168   1.560
   34   2HB   CYS   6           HB1      CYS   6  -1.182   0.686   1.389
   35    HA   PRO   7           HA       PRO   7   2.532   0.630   4.337
   36   1HB   PRO   7           HB2      PRO   7   2.613   3.012   6.121
   37   2HB   PRO   7           HB1      PRO   7   3.859   2.370   5.045
   38   1HG   PRO   7           HG2      PRO   7   2.466   4.565   4.407
   39   2HG   PRO   7           HG1      PRO   7   2.960   3.388   3.176
   40   1HD   PRO   7           HD2      PRO   7   0.271   3.853   4.378
   41   2HD   PRO   7           HD1      PRO   7   0.700   3.324   2.744
   42    H    MET   8           HN       MET   8  -0.071   1.795   6.351
   43    HA   MET   8           HA       MET   8   0.834   0.100   8.570
   44   1HB   MET   8           HB2      MET   8  -1.021   2.460   8.421
   45   2HB   MET   8           HB1      MET   8  -1.053   1.367   9.798
   46   1HG   MET   8           HG2      MET   8   0.345   3.091  10.474
   47   2HG   MET   8           HG1      MET   8   1.453   1.812   9.983
   48   1HE   MET   8           HE1      MET   8  -0.051   5.311   9.170
   49   2HE   MET   8           HE2      MET   8  -0.659   4.359   7.815
   50   3HE   MET   8           HE3      MET   8   0.547   5.616   7.539
   51    H    HIS   9           HN       HIS   9  -1.871   0.673   6.373
   52    HA   HIS   9           HA       HIS   9  -3.384  -1.477   7.612
   53   1HB   HIS   9           HB2      HIS   9  -5.249  -0.750   6.399
   54   2HB   HIS   9           HB1      HIS   9  -4.402   0.728   6.806
   55    HD1  HIS   9           HD1      HIS   9  -4.134  -1.643   3.809
   56    HD2  HIS   9           HD2      HIS   9  -4.680   2.370   4.719
   57    HE1  HIS   9           HE1      HIS   9  -4.285  -0.469   1.594
   58    HE2  HIS   9           HE2      HIS   9  -4.719   1.945   2.169
   59    H    CYS  10           HN       CYS  10  -0.830  -1.785   5.928
   60    HA   CYS  10           HA       CYS  10  -1.784  -4.130   4.510
   61   1HB   CYS  10           HB2      CYS  10  -1.568  -1.871   3.034
   62   2HB   CYS  10           HB1      CYS  10   0.070  -2.499   2.885
   63    H    LYS  11           HN       LYS  11  -0.601  -5.291   6.057
   64    HA   LYS  11           HA       LYS  11   2.113  -4.841   6.668
   65   1HB   LYS  11           HB2      LYS  11   0.339  -7.264   6.895
   66   2HB   LYS  11           HB1      LYS  11   2.028  -7.302   7.381
   67   1HG   LYS  11           HG2      LYS  11   1.058  -6.814   9.378
   68   2HG   LYS  11           HG1      LYS  11   1.325  -5.179   8.771
   69   1HD   LYS  11           HD2      LYS  11  -0.927  -4.913   8.174
   70   2HD   LYS  11           HD1      LYS  11  -1.243  -6.647   8.258
   71   1HE   LYS  11           HE2      LYS  11  -1.348  -6.652  10.561
   72   2HE   LYS  11           HE1      LYS  11  -0.362  -5.198  10.713
   73   1HZ   LYS  11           HZ1      LYS  11  -2.451  -4.424  11.214
   74   2HZ   LYS  11           HZ2      LYS  11  -3.229  -5.438  10.106
   75   3HZ   LYS  11           HZ3      LYS  11  -2.376  -4.085   9.557
   76    H    GLY  12           HN       GLY  12   3.907  -6.370   6.139
   77   1HA   GLY  12           HA2      GLY  12   4.356  -8.197   4.371
   78   2HA   GLY  12           HA1      GLY  12   3.832  -6.941   3.260
   79    H    LYS  13           HN       LYS  13   6.419  -8.252   4.995
   80    HA   LYS  13           HA       LYS  13   8.153  -6.084   5.280
   81   1HB   LYS  13           HB2      LYS  13   8.713  -9.003   4.756
   82   2HB   LYS  13           HB1      LYS  13   9.970  -7.830   5.125
   83   1HG   LYS  13           HG2      LYS  13   8.458  -7.346   7.216
   84   2HG   LYS  13           HG1      LYS  13   7.866  -8.975   6.885
   85   1HD   LYS  13           HD2      LYS  13   9.628  -9.318   8.376
   86   2HD   LYS  13           HD1      LYS  13  10.348  -9.638   6.797
   87   1HE   LYS  13           HE2      LYS  13  11.950  -8.226   7.496
   88   2HE   LYS  13           HE1      LYS  13  10.794  -6.975   7.040
   89   1HZ   LYS  13           HZ1      LYS  13  11.022  -8.137   9.763
   90   2HZ   LYS  13           HZ2      LYS  13  10.040  -6.841   9.297
   91   3HZ   LYS  13           HZ3      LYS  13  11.723  -6.673   9.284
   92    H    ASN  14           HN       ASN  14   7.098  -7.751   2.471
   93    HA   ASN  14           HA       ASN  14   8.929  -6.162   0.853
   94   1HB   ASN  14           HB2      ASN  14   8.990  -8.950   1.041
   95   2HB   ASN  14           HB1      ASN  14   8.162  -8.621  -0.478
   96   1HD2  ASN  14          1HD2      ASN  14  11.095  -9.114   0.907
   97   2HD2  ASN  14          2HD2      ASN  14  12.106  -8.370  -0.280
   98    H    ALA  15           HN       ALA  15   6.302  -5.523   1.664
   99    HA   ALA  15           HA       ALA  15   4.884  -5.648  -0.907
  100   1HB   ALA  15           HB1      ALA  15   3.932  -6.782   1.306
  101   2HB   ALA  15           HB2      ALA  15   2.885  -6.026   0.105
  102   3HB   ALA  15           HB3      ALA  15   3.334  -5.142   1.564
  103    H    LYS  16           HN       LYS  16   5.391  -3.712  -1.812
  104    HA   LYS  16           HA       LYS  16   5.320  -1.323  -0.151
  105   1HB   LYS  16           HB2      LYS  16   7.223  -1.410  -1.542
  106   2HB   LYS  16           HB1      LYS  16   6.272  -1.828  -2.959
  107   1HG   LYS  16           HG2      LYS  16   5.189   0.490  -2.639
  108   2HG   LYS  16           HG1      LYS  16   6.575   0.820  -1.598
  109   1HD   LYS  16           HD2      LYS  16   7.331   1.578  -3.643
  110   2HD   LYS  16           HD1      LYS  16   7.954  -0.073  -3.622
  111   1HE   LYS  16           HE2      LYS  16   6.350  -0.828  -5.128
  112   2HE   LYS  16           HE1      LYS  16   5.274   0.531  -4.811
  113   1HZ   LYS  16           HZ1      LYS  16   7.377   1.814  -5.782
  114   2HZ   LYS  16           HZ2      LYS  16   6.123   1.239  -6.759
  115   3HZ   LYS  16           HZ3      LYS  16   7.552   0.348  -6.608
  116    HA   PRO  17           HA       PRO  17   1.215  -0.384  -1.577
  117   1HB   PRO  17           HB2      PRO  17   1.461   2.223  -0.357
  118   2HB   PRO  17           HB1      PRO  17   0.534   0.830   0.201
  119   1HG   PRO  17           HG2      PRO  17   2.748   1.814   1.484
  120   2HG   PRO  17           HG1      PRO  17   2.189   0.138   1.609
  121   1HD   PRO  17           HD2      PRO  17   4.404   1.281  -0.045
  122   2HD   PRO  17           HD1      PRO  17   4.324  -0.265   0.826
  123    H    THR  18           HN       THR  18   0.679   0.290  -3.547
  124    HA   THR  18           HA       THR  18   2.148   2.538  -4.731
  125    HB   THR  18           HB       THR  18   0.764   1.275  -6.754
  126    HG1  THR  18           HG1      THR  18   0.438  -0.649  -5.958
  127   1HG2  THR  18          1HG2      THR  18   2.835   0.746  -7.672
  128   2HG2  THR  18          2HG2      THR  18   3.599   0.628  -6.086
  129   3HG2  THR  18          3HG2      THR  18   3.112   2.202  -6.718
  130    H    CYS  19           HN       CYS  19   1.029   4.131  -5.887
  131    HA   CYS  19           HA       CYS  19  -1.822   4.304  -5.189
  132   1HB   CYS  19           HB2      CYS  19   0.251   6.458  -5.600
  133   2HB   CYS  19           HB1      CYS  19  -1.473   6.794  -5.468
  134    H    ASP  20           HN       ASP  20  -3.200   4.132  -6.825
  135    HA   ASP  20           HA       ASP  20  -2.370   5.020  -9.479
  136   1HB   ASP  20           HB2      ASP  20  -2.496   2.443  -8.986
  137   2HB   ASP  20           HB1      ASP  20  -4.227   2.705  -9.167
  138    H    ASP  21           HN       ASP  21  -3.519   6.885  -9.618
  139    HA   ASP  21           HA       ASP  21  -5.291   8.318  -9.678
  140   1HB   ASP  21           HB2      ASP  21  -6.355   5.736 -10.731
  141   2HB   ASP  21           HB1      ASP  21  -7.497   7.041 -10.425
  142    H    GLY  22           HN       GLY  22  -4.762   7.816  -7.147
  143   1HA   GLY  22           HA2      GLY  22  -5.654   7.998  -5.059
  144   2HA   GLY  22           HA1      GLY  22  -7.208   8.200  -5.839
  145    H    VAL  23           HN       VAL  23  -5.614   5.342  -6.745
  146    HA   VAL  23           HA       VAL  23  -7.274   3.797  -4.862
  147    HB   VAL  23           HB       VAL  23  -6.344   2.919  -7.597
  148   1HG1  VAL  23          1HG1      VAL  23  -6.725   0.985  -6.357
  149   2HG1  VAL  23          2HG1      VAL  23  -8.259   1.246  -7.187
  150   3HG1  VAL  23          3HG1      VAL  23  -8.088   1.693  -5.490
  151   1HG2  VAL  23          1HG2      VAL  23  -8.018   4.864  -7.484
  152   2HG2  VAL  23          2HG2      VAL  23  -9.164   3.660  -6.896
  153   3HG2  VAL  23          3HG2      VAL  23  -8.428   3.474  -8.488
  154    H    CYS  24           HN       CYS  24  -5.916   3.199  -3.266
  155    HA   CYS  24           HA       CYS  24  -3.160   2.669  -3.610
  156   1HB   CYS  24           HB2      CYS  24  -4.107   3.335  -1.446
  157   2HB   CYS  24           HB1      CYS  24  -5.017   1.831  -1.369
  158    H    ASN  25           HN       ASN  25  -2.029   0.704  -3.541
  159    HA   ASN  25           HA       ASN  25  -3.402  -1.808  -3.631
  160   1HB   ASN  25           HB2      ASN  25  -2.871  -0.433  -6.086
  161   2HB   ASN  25           HB1      ASN  25  -1.918  -1.910  -6.019
  162   1HD2  ASN  25          1HD2      ASN  25  -5.193  -0.667  -5.574
  163   2HD2  ASN  25          2HD2      ASN  25  -5.999  -2.094  -6.120
  164    H    CYS  26           HN       CYS  26  -2.128  -3.214  -2.649
  165    HA   CYS  26           HA       CYS  26   0.710  -2.599  -2.366
  166   1HB   CYS  26           HB2      CYS  26  -0.711  -4.877  -1.011
  167   2HB   CYS  26           HB1      CYS  26   0.724  -4.006  -0.482
  168    H    ASN  27           HN       ASN  27   2.325  -3.782  -3.216
  169    HA   ASN  27           HA       ASN  27   1.719  -6.369  -4.429
  170   1HB   ASN  27           HB2      ASN  27   2.891  -4.003  -5.876
  171   2HB   ASN  27           HB1      ASN  27   3.093  -5.655  -6.452
  172   1HD2  ASN  27          1HD2      ASN  27   1.502  -3.074  -7.200
  173   2HD2  ASN  27          2HD2      ASN  27  -0.037  -3.710  -7.657
  174    H    VAL  28           HN       VAL  28   4.549  -4.334  -4.826
  175    HA   VAL  28           HA       VAL  28   6.070  -5.858  -2.884
  176    HB   VAL  28           HB       VAL  28   6.985  -5.822  -5.759
  177   1HG1  VAL  28          1HG1      VAL  28   8.491  -6.060  -3.532
  178   2HG1  VAL  28          2HG1      VAL  28   8.886  -6.820  -5.074
  179   3HG1  VAL  28          3HG1      VAL  28   8.071  -7.749  -3.816
  180   1HG2  VAL  28          1HG2      VAL  28   5.677  -8.040  -4.190
  181   2HG2  VAL  28          2HG2      VAL  28   6.483  -8.252  -5.744
  182   3HG2  VAL  28          3HG2      VAL  28   5.043  -7.240  -5.628
  Start of MODEL   18
    1   1H    VAL   1           HT1      VAL   1 -11.039   4.222   0.409
    2   2H    VAL   1           HT2      VAL   1 -10.301   5.466  -0.516
    3   3H    VAL   1           HT3      VAL   1 -11.225   5.861   0.876
    4    HA   VAL   1           HA       VAL   1  -9.660   5.177   2.309
    5    HB   VAL   1           HB       VAL   1  -7.733   3.724   1.604
    6   1HG1  VAL   1          1HG1      VAL   1  -8.929   1.704   1.870
    7   2HG1  VAL   1          2HG1      VAL   1 -10.388   2.385   1.151
    8   3HG1  VAL   1          3HG1      VAL   1  -9.851   2.930   2.740
    9   1HG2  VAL   1          1HG2      VAL   1  -7.512   3.796  -0.671
   10   2HG2  VAL   1          2HG2      VAL   1  -9.253   3.818  -0.951
   11   3HG2  VAL   1          3HG2      VAL   1  -8.450   2.312  -0.509
   12    H    GLY   2           HN       GLY   2  -7.286   5.736   2.547
   13   1HA   GLY   2           HA2      GLY   2  -6.638   7.919   0.663
   14   2HA   GLY   2           HA1      GLY   2  -6.267   7.961   2.380
   15    H    CYS   3           HN       CYS   3  -4.320   8.462   0.496
   16    HA   CYS   3           HA       CYS   3  -2.809   6.136  -0.147
   17   1HB   CYS   3           HB2      CYS   3  -2.304   9.088  -0.234
   18   2HB   CYS   3           HB1      CYS   3  -0.964   7.970  -0.451
   19    H    GLU   4           HN       GLU   4  -3.131   8.059   2.684
   20    HA   GLU   4           HA       GLU   4  -0.575   7.283   3.790
   21   1HB   GLU   4           HB2      GLU   4  -2.895   8.877   4.833
   22   2HB   GLU   4           HB1      GLU   4  -1.543   8.430   5.864
   23   1HG   GLU   4           HG2      GLU   4  -0.755   9.670   3.337
   24   2HG   GLU   4           HG1      GLU   4  -1.715  10.711   4.387
   25    H    GLU   5           HN       GLU   5  -3.273   5.631   3.302
   26    HA   GLU   5           HA       GLU   5  -3.017   4.084   5.785
   27   1HB   GLU   5           HB2      GLU   5  -5.443   4.496   4.041
   28   2HB   GLU   5           HB1      GLU   5  -5.368   3.329   5.353
   29   1HG   GLU   5           HG2      GLU   5  -4.581   5.582   6.628
   30   2HG   GLU   5           HG1      GLU   5  -5.690   6.242   5.428
   31    H    CYS   6           HN       CYS   6  -1.774   3.955   2.944
   32    HA   CYS   6           HA       CYS   6  -2.659   1.410   1.977
   33   1HB   CYS   6           HB2      CYS   6  -0.627   3.406   1.118
   34   2HB   CYS   6           HB1      CYS   6  -0.506   1.761   0.505
   35    HA   PRO   7           HA       PRO   7   1.568   0.022   3.726
   36   1HB   PRO   7           HB2      PRO   7   2.860   1.673   5.430
   37   2HB   PRO   7           HB1      PRO   7   3.047   1.779   3.677
   38   1HG   PRO   7           HG2      PRO   7   1.482   3.502   5.523
   39   2HG   PRO   7           HG1      PRO   7   2.330   3.931   4.028
   40   1HD   PRO   7           HD2      PRO   7  -0.420   3.505   4.287
   41   2HD   PRO   7           HD1      PRO   7   0.476   3.528   2.762
   42    H    MET   8           HN       MET   8  -0.577   1.864   5.792
   43    HA   MET   8           HA       MET   8   0.005   0.405   8.183
   44   1HB   MET   8           HB2      MET   8  -1.214   2.763   7.724
   45   2HB   MET   8           HB1      MET   8  -2.630   1.734   7.883
   46   1HG   MET   8           HG2      MET   8  -1.663   0.936  10.065
   47   2HG   MET   8           HG1      MET   8  -0.469   2.223   9.909
   48   1HE   MET   8           HE1      MET   8  -3.052   5.301   9.617
   49   2HE   MET   8           HE2      MET   8  -2.387   4.284   8.338
   50   3HE   MET   8           HE3      MET   8  -1.331   4.915   9.602
   51    H    HIS   9           HN       HIS   9  -2.146   0.018   5.482
   52    HA   HIS   9           HA       HIS   9  -3.729  -2.033   6.783
   53   1HB   HIS   9           HB2      HIS   9  -3.871  -0.476   4.290
   54   2HB   HIS   9           HB1      HIS   9  -4.411  -2.143   4.132
   55    HD1  HIS   9           HD1      HIS   9  -5.897  -2.563   6.738
   56    HD2  HIS   9           HD2      HIS   9  -6.175   0.923   4.496
   57    HE1  HIS   9           HE1      HIS   9  -8.081  -1.508   7.404
   58    HE2  HIS   9           HE2      HIS   9  -8.187   0.643   6.097
   59    H    CYS  10           HN       CYS  10  -1.541  -1.847   3.976
   60    HA   CYS  10           HA       CYS  10  -1.431  -4.693   3.669
   61   1HB   CYS  10           HB2      CYS  10  -0.465  -2.355   2.245
   62   2HB   CYS  10           HB1      CYS  10   0.763  -3.614   2.320
   63    H    LYS  11           HN       LYS  11   1.018  -5.536   3.372
   64    HA   LYS  11           HA       LYS  11   2.138  -5.384   6.052
   65   1HB   LYS  11           HB2      LYS  11   3.551  -7.279   5.310
   66   2HB   LYS  11           HB1      LYS  11   1.832  -7.595   5.119
   67   1HG   LYS  11           HG2      LYS  11   2.642  -6.483   2.693
   68   2HG   LYS  11           HG1      LYS  11   3.928  -7.601   3.150
   69   1HD   LYS  11           HD2      LYS  11   2.525  -9.035   2.045
   70   2HD   LYS  11           HD1      LYS  11   1.892  -9.189   3.685
   71   1HE   LYS  11           HE2      LYS  11  -0.030  -8.082   3.195
   72   2HE   LYS  11           HE1      LYS  11   0.748  -7.036   2.007
   73   1HZ   LYS  11           HZ1      LYS  11   0.517  -9.876   1.359
   74   2HZ   LYS  11           HZ2      LYS  11   0.423  -8.525   0.346
   75   3HZ   LYS  11           HZ3      LYS  11  -0.900  -8.951   1.310
   76    H    GLY  12           HN       GLY  12   4.519  -5.252   6.318
   77   1HA   GLY  12           HA2      GLY  12   5.782  -3.588   4.237
   78   2HA   GLY  12           HA1      GLY  12   5.805  -3.083   5.920
   79    H    LYS  13           HN       LYS  13   6.497  -6.086   4.120
   80    HA   LYS  13           HA       LYS  13   9.226  -6.059   4.936
   81   1HB   LYS  13           HB2      LYS  13   7.304  -7.386   6.597
   82   2HB   LYS  13           HB1      LYS  13   8.394  -8.578   5.903
   83   1HG   LYS  13           HG2      LYS  13  10.310  -7.305   6.758
   84   2HG   LYS  13           HG1      LYS  13   9.197  -6.144   7.484
   85   1HD   LYS  13           HD2      LYS  13   9.725  -7.573   9.250
   86   2HD   LYS  13           HD1      LYS  13   8.175  -8.186   8.672
   87   1HE   LYS  13           HE2      LYS  13   9.891  -9.608   7.134
   88   2HE   LYS  13           HE1      LYS  13  10.848  -9.415   8.602
   89   1HZ   LYS  13           HZ1      LYS  13   9.510 -11.430   8.657
   90   2HZ   LYS  13           HZ2      LYS  13   8.095 -10.522   8.479
   91   3HZ   LYS  13           HZ3      LYS  13   9.033 -10.358   9.876
   92    H    ASN  14           HN       ASN  14   6.559  -7.662   3.386
   93    HA   ASN  14           HA       ASN  14   8.412  -8.762   1.453
   94   1HB   ASN  14           HB2      ASN  14   7.308 -10.428   3.287
   95   2HB   ASN  14           HB1      ASN  14   6.060 -10.458   2.045
   96   1HD2  ASN  14          1HD2      ASN  14   7.245 -10.492  -0.264
   97   2HD2  ASN  14          2HD2      ASN  14   8.353 -11.807  -0.426
   98    H    ALA  15           HN       ALA  15   6.723  -6.444   1.599
   99    HA   ALA  15           HA       ALA  15   5.595  -6.533  -0.965
  100   1HB   ALA  15           HB1      ALA  15   3.405  -6.968  -0.705
  101   2HB   ALA  15           HB2      ALA  15   3.322  -6.135   0.847
  102   3HB   ALA  15           HB3      ALA  15   3.934  -7.787   0.765
  103    H    LYS  16           HN       LYS  16   5.575  -4.512  -1.724
  104    HA   LYS  16           HA       LYS  16   5.671  -2.323   0.228
  105   1HB   LYS  16           HB2      LYS  16   7.628  -2.280  -1.078
  106   2HB   LYS  16           HB1      LYS  16   6.749  -2.601  -2.566
  107   1HG   LYS  16           HG2      LYS  16   6.203  -0.428  -2.870
  108   2HG   LYS  16           HG1      LYS  16   6.062  -0.107  -1.140
  109   1HD   LYS  16           HD2      LYS  16   8.229   0.493  -0.947
  110   2HD   LYS  16           HD1      LYS  16   8.777  -0.738  -2.086
  111   1HE   LYS  16           HE2      LYS  16   7.604   0.789  -3.851
  112   2HE   LYS  16           HE1      LYS  16   7.784   2.030  -2.611
  113   1HZ   LYS  16           HZ1      LYS  16   9.739   2.281  -3.714
  114   2HZ   LYS  16           HZ2      LYS  16   9.837   0.658  -4.180
  115   3HZ   LYS  16           HZ3      LYS  16  10.229   1.108  -2.598
  116    HA   PRO  17           HA       PRO  17   1.687  -1.119  -1.359
  117   1HB   PRO  17           HB2      PRO  17   1.244   0.948   0.269
  118   2HB   PRO  17           HB1      PRO  17   1.266  -0.710   0.880
  119   1HG   PRO  17           HG2      PRO  17   3.373   1.402   1.046
  120   2HG   PRO  17           HG1      PRO  17   2.880   0.214   2.264
  121   1HD   PRO  17           HD2      PRO  17   5.085  -0.031   0.592
  122   2HD   PRO  17           HD1      PRO  17   4.289  -1.373   1.436
  123    H    THR  18           HN       THR  18   0.837   0.368  -2.761
  124    HA   THR  18           HA       THR  18   2.129   2.901  -3.222
  125    HB   THR  18           HB       THR  18   3.256   0.934  -4.594
  126    HG1  THR  18           HG1      THR  18   3.660   3.266  -4.653
  127   1HG2  THR  18          1HG2      THR  18   2.433   0.833  -6.860
  128   2HG2  THR  18          2HG2      THR  18   1.064   1.855  -6.421
  129   3HG2  THR  18          3HG2      THR  18   1.213   0.240  -5.733
  130    H    CYS  19           HN       CYS  19   0.628   4.379  -3.708
  131    HA   CYS  19           HA       CYS  19  -1.990   3.395  -4.607
  132   1HB   CYS  19           HB2      CYS  19  -2.958   5.376  -3.613
  133   2HB   CYS  19           HB1      CYS  19  -1.954   4.553  -2.424
  134    H    ASP  20           HN       ASP  20  -3.171   4.596  -6.150
  135    HA   ASP  20           HA       ASP  20  -1.640   6.450  -7.790
  136   1HB   ASP  20           HB2      ASP  20  -1.797   3.947  -8.579
  137   2HB   ASP  20           HB1      ASP  20  -3.407   4.432  -9.090
  138    H    ASP  21           HN       ASP  21  -2.770   8.299  -7.613
  139    HA   ASP  21           HA       ASP  21  -4.523   9.756  -7.453
  140   1HB   ASP  21           HB2      ASP  21  -5.169   7.921  -9.709
  141   2HB   ASP  21           HB1      ASP  21  -6.430   9.027  -9.173
  142    H    GLY  22           HN       GLY  22  -4.642   8.235  -5.306
  143   1HA   GLY  22           HA2      GLY  22  -6.098   7.763  -3.606
  144   2HA   GLY  22           HA1      GLY  22  -7.405   8.143  -4.704
  145    H    VAL  23           HN       VAL  23  -5.236   5.853  -5.955
  146    HA   VAL  23           HA       VAL  23  -7.115   3.687  -5.284
  147    HB   VAL  23           HB       VAL  23  -5.242   3.811  -7.650
  148   1HG1  VAL  23          1HG1      VAL  23  -5.645   1.589  -7.526
  149   2HG1  VAL  23          2HG1      VAL  23  -7.145   2.046  -8.333
  150   3HG1  VAL  23          3HG1      VAL  23  -7.123   1.798  -6.587
  151   1HG2  VAL  23          1HG2      VAL  23  -8.225   4.219  -7.683
  152   2HG2  VAL  23          2HG2      VAL  23  -7.089   4.419  -9.017
  153   3HG2  VAL  23          3HG2      VAL  23  -7.063   5.546  -7.660
  154    H    CYS  24           HN       CYS  24  -6.217   2.779  -3.493
  155    HA   CYS  24           HA       CYS  24  -3.424   2.424  -3.121
  156   1HB   CYS  24           HB2      CYS  24  -5.290   2.522  -1.344
  157   2HB   CYS  24           HB1      CYS  24  -5.540   0.818  -1.708
  158    H    ASN  25           HN       ASN  25  -2.111   0.720  -3.531
  159    HA   ASN  25           HA       ASN  25  -3.125  -1.866  -4.219
  160   1HB   ASN  25           HB2      ASN  25  -1.952  -1.845  -6.490
  161   2HB   ASN  25           HB1      ASN  25  -3.488  -0.992  -6.382
  162   1HD2  ASN  25          1HD2      ASN  25  -0.351  -0.805  -7.416
  163   2HD2  ASN  25          2HD2      ASN  25  -0.225   0.907  -7.607
  164    H    CYS  26           HN       CYS  26  -1.734  -3.310  -3.508
  165    HA   CYS  26           HA       CYS  26   1.034  -2.477  -2.990
  166   1HB   CYS  26           HB2      CYS  26  -0.308  -4.936  -1.874
  167   2HB   CYS  26           HB1      CYS  26   1.125  -4.111  -1.272
  168    H    ASN  27           HN       ASN  27   2.775  -3.918  -3.498
  169    HA   ASN  27           HA       ASN  27   2.105  -5.920  -5.547
  170   1HB   ASN  27           HB2      ASN  27   4.112  -3.712  -5.624
  171   2HB   ASN  27           HB1      ASN  27   4.470  -5.215  -6.469
  172   1HD2  ASN  27          1HD2      ASN  27   4.446  -3.869  -8.375
  173   2HD2  ASN  27          2HD2      ASN  27   2.939  -3.505  -9.139
  174    H    VAL  28           HN       VAL  28   5.358  -5.172  -4.558
  175    HA   VAL  28           HA       VAL  28   5.480  -7.408  -2.715
  176    HB   VAL  28           HB       VAL  28   5.800  -8.498  -4.887
  177   1HG1  VAL  28          1HG1      VAL  28   6.719  -7.206  -6.473
  178   2HG1  VAL  28          2HG1      VAL  28   8.252  -7.791  -5.826
  179   3HG1  VAL  28          3HG1      VAL  28   7.613  -6.232  -5.305
  180   1HG2  VAL  28          1HG2      VAL  28   7.075  -9.149  -2.769
  181   2HG2  VAL  28          2HG2      VAL  28   8.478  -8.400  -3.532
  182   3HG2  VAL  28          3HG2      VAL  28   7.680  -9.770  -4.305
  Start of MODEL   19
    1   1H    VAL   1           HT1      VAL   1  -9.317   2.569   4.716
    2   2H    VAL   1           HT2      VAL   1  -9.516   2.783   3.024
    3   3H    VAL   1           HT3      VAL   1  -9.770   4.101   4.094
    4    HA   VAL   1           HA       VAL   1  -7.589   4.391   4.510
    5    HB   VAL   1           HB       VAL   1  -5.859   2.700   3.903
    6   1HG1  VAL   1          1HG1      VAL   1  -7.659   1.208   5.700
    7   2HG1  VAL   1          2HG1      VAL   1  -7.329   2.882   6.148
    8   3HG1  VAL   1          3HG1      VAL   1  -5.997   1.745   5.944
    9   1HG2  VAL   1          1HG2      VAL   1  -6.731   1.327   2.273
   10   2HG2  VAL   1          2HG2      VAL   1  -8.294   1.185   3.077
   11   3HG2  VAL   1          3HG2      VAL   1  -6.898   0.310   3.704
   12    H    GLY   2           HN       GLY   2  -6.706   5.801   3.148
   13   1HA   GLY   2           HA2      GLY   2  -7.220   5.490   0.286
   14   2HA   GLY   2           HA1      GLY   2  -6.690   6.959   1.091
   15    H    CYS   3           HN       CYS   3  -4.825   7.513   0.159
   16    HA   CYS   3           HA       CYS   3  -2.888   5.454  -0.554
   17   1HB   CYS   3           HB2      CYS   3  -3.489   8.162  -1.450
   18   2HB   CYS   3           HB1      CYS   3  -1.766   7.915  -1.187
   19    H    GLU   4           HN       GLU   4  -3.394   7.964   1.799
   20    HA   GLU   4           HA       GLU   4  -0.657   7.782   2.769
   21   1HB   GLU   4           HB2      GLU   4  -2.135   9.931   2.582
   22   2HB   GLU   4           HB1      GLU   4  -2.798   9.372   4.112
   23   1HG   GLU   4           HG2      GLU   4  -0.325   9.238   4.857
   24   2HG   GLU   4           HG1      GLU   4  -0.029  10.297   3.479
   25    H    GLU   5           HN       GLU   5  -3.238   5.929   3.108
   26    HA   GLU   5           HA       GLU   5  -2.720   5.330   5.936
   27   1HB   GLU   5           HB2      GLU   5  -5.221   5.117   4.291
   28   2HB   GLU   5           HB1      GLU   5  -5.019   4.150   5.746
   29   1HG   GLU   5           HG2      GLU   5  -4.807   7.149   5.669
   30   2HG   GLU   5           HG1      GLU   5  -6.276   6.265   6.079
   31    H    CYS   6           HN       CYS   6  -1.487   4.341   3.289
   32    HA   CYS   6           HA       CYS   6  -2.156   1.555   3.259
   33   1HB   CYS   6           HB2      CYS   6  -0.607   3.374   1.606
   34   2HB   CYS   6           HB1      CYS   6   0.196   1.823   1.820
   35    HA   PRO   7           HA       PRO   7   2.498   1.519   5.051
   36   1HB   PRO   7           HB2      PRO   7   1.875   3.839   6.833
   37   2HB   PRO   7           HB1      PRO   7   3.419   3.350   6.126
   38   1HG   PRO   7           HG2      PRO   7   2.040   5.391   5.104
   39   2HG   PRO   7           HG1      PRO   7   2.912   4.260   4.053
   40   1HD   PRO   7           HD2      PRO   7  -0.013   4.498   4.559
   41   2HD   PRO   7           HD1      PRO   7   0.834   3.972   3.096
   42    H    MET   8           HN       MET   8  -0.560   2.321   6.521
   43    HA   MET   8           HA       MET   8  -0.005   0.813   8.943
   44   1HB   MET   8           HB2      MET   8  -2.477   2.275   7.992
   45   2HB   MET   8           HB1      MET   8  -2.317   1.496   9.562
   46   1HG   MET   8           HG2      MET   8  -1.653   3.487  10.293
   47   2HG   MET   8           HG1      MET   8  -0.121   3.119   9.503
   48   1HE   MET   8           HE1      MET   8   0.948   4.610   8.653
   49   2HE   MET   8           HE2      MET   8   0.362   6.271   8.566
   50   3HE   MET   8           HE3      MET   8   0.574   5.332   7.089
   51    H    HIS   9           HN       HIS   9  -1.834   0.564   5.966
   52    HA   HIS   9           HA       HIS   9  -2.933  -2.016   6.798
   53   1HB   HIS   9           HB2      HIS   9  -4.718  -1.543   5.499
   54   2HB   HIS   9           HB1      HIS   9  -4.118   0.095   5.554
   55    HD1  HIS   9           HD1      HIS   9  -3.492  -2.944   3.329
   56    HD2  HIS   9           HD2      HIS   9  -4.108   1.149   3.139
   57    HE1  HIS   9           HE1      HIS   9  -3.474  -2.384   0.875
   58    HE2  HIS   9           HE2      HIS   9  -3.997   0.081   0.779
   59    H    CYS  10           HN       CYS  10  -2.213  -3.888   6.031
   60    HA   CYS  10           HA       CYS  10  -1.243  -5.434   4.637
   61   1HB   CYS  10           HB2      CYS  10  -1.765  -3.509   2.813
   62   2HB   CYS  10           HB1      CYS  10  -0.007  -3.475   2.787
   63    H    LYS  11           HN       LYS  11   0.188  -5.903   6.301
   64    HA   LYS  11           HA       LYS  11   2.840  -4.636   6.078
   65   1HB   LYS  11           HB2      LYS  11   1.445  -5.804   8.488
   66   2HB   LYS  11           HB1      LYS  11   3.151  -5.377   8.470
   67   1HG   LYS  11           HG2      LYS  11   1.470  -3.204   7.540
   68   2HG   LYS  11           HG1      LYS  11   1.050  -3.732   9.170
   69   1HD   LYS  11           HD2      LYS  11   3.910  -3.261   8.420
   70   2HD   LYS  11           HD1      LYS  11   2.866  -1.905   8.851
   71   1HE   LYS  11           HE2      LYS  11   4.062  -2.658  10.808
   72   2HE   LYS  11           HE1      LYS  11   2.346  -3.022  10.987
   73   1HZ   LYS  11           HZ1      LYS  11   4.341  -5.000  10.038
   74   2HZ   LYS  11           HZ2      LYS  11   2.740  -5.293  10.498
   75   3HZ   LYS  11           HZ3      LYS  11   3.884  -4.844  11.660
   76    H    GLY  12           HN       GLY  12   4.308  -5.918   5.186
   77   1HA   GLY  12           HA2      GLY  12   4.298  -8.771   5.882
   78   2HA   GLY  12           HA1      GLY  12   4.338  -8.302   4.190
   79    H    LYS  13           HN       LYS  13   6.249  -7.789   3.269
   80    HA   LYS  13           HA       LYS  13   8.517  -6.979   4.799
   81   1HB   LYS  13           HB2      LYS  13   8.578  -9.378   5.237
   82   2HB   LYS  13           HB1      LYS  13   8.506  -9.708   3.512
   83   1HG   LYS  13           HG2      LYS  13  10.685  -8.454   3.302
   84   2HG   LYS  13           HG1      LYS  13  10.764  -8.476   5.065
   85   1HD   LYS  13           HD2      LYS  13  10.552 -10.916   3.301
   86   2HD   LYS  13           HD1      LYS  13  12.041 -10.319   4.036
   87   1HE   LYS  13           HE2      LYS  13  10.723 -10.498   6.259
   88   2HE   LYS  13           HE1      LYS  13   9.646 -11.552   5.343
   89   1HZ   LYS  13           HZ1      LYS  13  11.367 -13.077   4.961
   90   2HZ   LYS  13           HZ2      LYS  13  11.518 -12.659   6.593
   91   3HZ   LYS  13           HZ3      LYS  13  12.571 -11.993   5.449
   92    H    ASN  14           HN       ASN  14   7.344  -8.261   1.725
   93    HA   ASN  14           HA       ASN  14   9.040  -6.318   0.362
   94   1HB   ASN  14           HB2      ASN  14   8.445  -9.174  -0.328
   95   2HB   ASN  14           HB1      ASN  14   8.812  -8.024  -1.609
   96   1HD2  ASN  14          1HD2      ASN  14  10.750  -6.496  -0.656
   97   2HD2  ASN  14          2HD2      ASN  14  12.147  -7.425  -0.242
   98    H    ALA  15           HN       ALA  15   6.425  -5.923   1.377
   99    HA   ALA  15           HA       ALA  15   4.879  -5.691  -1.113
  100   1HB   ALA  15           HB1      ALA  15   3.373  -5.412   1.376
  101   2HB   ALA  15           HB2      ALA  15   4.118  -6.996   1.159
  102   3HB   ALA  15           HB3      ALA  15   3.018  -6.364  -0.066
  103    H    LYS  16           HN       LYS  16   5.414  -3.673  -1.805
  104    HA   LYS  16           HA       LYS  16   5.213  -1.463   0.109
  105   1HB   LYS  16           HB2      LYS  16   7.293  -1.527  -1.121
  106   2HB   LYS  16           HB1      LYS  16   6.429  -1.576  -2.650
  107   1HG   LYS  16           HG2      LYS  16   7.031   0.628  -2.554
  108   2HG   LYS  16           HG1      LYS  16   5.430   0.693  -1.815
  109   1HD   LYS  16           HD2      LYS  16   6.488   1.803  -0.169
  110   2HD   LYS  16           HD1      LYS  16   6.986   0.192   0.352
  111   1HE   LYS  16           HE2      LYS  16   8.641   1.587  -1.687
  112   2HE   LYS  16           HE1      LYS  16   8.735   2.144  -0.017
  113   1HZ   LYS  16           HZ1      LYS  16   9.498  -0.465  -1.146
  114   2HZ   LYS  16           HZ2      LYS  16   9.068  -0.352   0.486
  115   3HZ   LYS  16           HZ3      LYS  16  10.371   0.548  -0.108
  116    HA   PRO  17           HA       PRO  17   1.286  -0.373  -1.650
  117   1HB   PRO  17           HB2      PRO  17   1.026   2.080  -0.542
  118   2HB   PRO  17           HB1      PRO  17   0.837   0.591   0.390
  119   1HG   PRO  17           HG2      PRO  17   3.207   2.410   0.187
  120   2HG   PRO  17           HG1      PRO  17   2.510   1.638   1.624
  121   1HD   PRO  17           HD2      PRO  17   4.707   0.669   0.353
  122   2HD   PRO  17           HD1      PRO  17   3.546  -0.375   1.198
  123    H    THR  18           HN       THR  18   0.530   0.711  -3.402
  124    HA   THR  18           HA       THR  18   2.238   2.789  -4.577
  125    HB   THR  18           HB       THR  18   2.425   0.498  -5.685
  126    HG1  THR  18           HG1      THR  18   2.985   1.599  -7.373
  127   1HG2  THR  18          1HG2      THR  18   0.692  -0.494  -6.626
  128   2HG2  THR  18          2HG2      THR  18   0.147   1.007  -7.374
  129   3HG2  THR  18          3HG2      THR  18  -0.317   0.629  -5.717
  130    H    CYS  19           HN       CYS  19   1.191   4.440  -5.704
  131    HA   CYS  19           HA       CYS  19  -1.678   4.635  -5.115
  132   1HB   CYS  19           HB2      CYS  19   0.467   6.697  -5.558
  133   2HB   CYS  19           HB1      CYS  19  -1.239   7.117  -5.676
  134    H    ASP  20           HN       ASP  20  -3.020   4.235  -6.731
  135    HA   ASP  20           HA       ASP  20  -2.262   5.031  -9.436
  136   1HB   ASP  20           HB2      ASP  20  -2.257   2.479  -8.817
  137   2HB   ASP  20           HB1      ASP  20  -4.001   2.648  -8.981
  138    H    ASP  21           HN       ASP  21  -3.518   6.779  -9.771
  139    HA   ASP  21           HA       ASP  21  -5.355   8.122  -9.902
  140   1HB   ASP  21           HB2      ASP  21  -6.709   5.449 -10.333
  141   2HB   ASP  21           HB1      ASP  21  -7.431   7.016 -10.688
  142    H    GLY  22           HN       GLY  22  -4.657   7.853  -7.359
  143   1HA   GLY  22           HA2      GLY  22  -5.433   8.211  -5.247
  144   2HA   GLY  22           HA1      GLY  22  -7.026   8.353  -5.956
  145    H    VAL  23           HN       VAL  23  -5.398   5.425  -6.631
  146    HA   VAL  23           HA       VAL  23  -6.992   4.052  -4.566
  147    HB   VAL  23           HB       VAL  23  -6.185   2.948  -7.258
  148   1HG1  VAL  23          1HG1      VAL  23  -6.521   1.053  -6.045
  149   2HG1  VAL  23          2HG1      VAL  23  -8.196   1.386  -6.485
  150   3HG1  VAL  23          3HG1      VAL  23  -7.594   1.847  -4.893
  151   1HG2  VAL  23          1HG2      VAL  23  -7.773   4.722  -7.604
  152   2HG2  VAL  23          2HG2      VAL  23  -8.821   4.085  -6.336
  153   3HG2  VAL  23          3HG2      VAL  23  -8.589   3.175  -7.829
  154    H    CYS  24           HN       CYS  24  -5.570   3.577  -2.982
  155    HA   CYS  24           HA       CYS  24  -2.834   2.910  -3.507
  156   1HB   CYS  24           HB2      CYS  24  -3.975   3.984  -1.374
  157   2HB   CYS  24           HB1      CYS  24  -4.119   2.300  -0.881
  158    H    ASN  25           HN       ASN  25  -1.808   0.918  -3.263
  159    HA   ASN  25           HA       ASN  25  -3.280  -1.451  -2.614
  160   1HB   ASN  25           HB2      ASN  25  -3.154  -0.616  -5.344
  161   2HB   ASN  25           HB1      ASN  25  -2.239  -2.106  -5.153
  162   1HD2  ASN  25          1HD2      ASN  25  -3.332  -3.928  -5.245
  163   2HD2  ASN  25          2HD2      ASN  25  -5.038  -4.101  -5.029
  164    H    CYS  26           HN       CYS  26  -1.935  -2.774  -1.624
  165    HA   CYS  26           HA       CYS  26   0.915  -2.300  -1.732
  166   1HB   CYS  26           HB2      CYS  26   1.003  -4.096   0.011
  167   2HB   CYS  26           HB1      CYS  26  -0.029  -2.736   0.438
  168    H    ASN  27           HN       ASN  27   2.332  -3.378  -2.945
  169    HA   ASN  27           HA       ASN  27   1.638  -6.048  -3.921
  170   1HB   ASN  27           HB2      ASN  27   2.451  -3.699  -5.617
  171   2HB   ASN  27           HB1      ASN  27   2.627  -5.361  -6.171
  172   1HD2  ASN  27          1HD2      ASN  27   1.016  -3.339  -7.354
  173   2HD2  ASN  27          2HD2      ASN  27  -0.626  -3.872  -7.275
  174    H    VAL  28           HN       VAL  28   4.306  -4.063  -5.005
  175    HA   VAL  28           HA       VAL  28   6.156  -5.709  -3.419
  176    HB   VAL  28           HB       VAL  28   6.670  -4.876  -6.273
  177   1HG1  VAL  28          1HG1      VAL  28   8.538  -5.377  -4.498
  178   2HG1  VAL  28          2HG1      VAL  28   8.668  -5.996  -6.144
  179   3HG1  VAL  28          3HG1      VAL  28   8.116  -7.054  -4.845
  180   1HG2  VAL  28          1HG2      VAL  28   4.858  -6.468  -6.276
  181   2HG2  VAL  28          2HG2      VAL  28   5.748  -7.535  -5.190
  182   3HG2  VAL  28          3HG2      VAL  28   6.330  -7.263  -6.833
  Start of MODEL   20
    1   1H    VAL   1           HT1      VAL   1  -9.247   4.901   0.292
    2   2H    VAL   1           HT2      VAL   1  -9.522   6.594   0.337
    3   3H    VAL   1           HT3      VAL   1 -10.430   5.548   1.350
    4    HA   VAL   1           HA       VAL   1  -8.927   6.379   2.783
    5    HB   VAL   1           HB       VAL   1  -7.276   4.092   1.750
    6   1HG1  VAL   1          1HG1      VAL   1  -7.508   3.714   4.391
    7   2HG1  VAL   1          2HG1      VAL   1  -7.724   5.464   4.328
    8   3HG1  VAL   1          3HG1      VAL   1  -6.262   4.732   3.668
    9   1HG2  VAL   1          1HG2      VAL   1  -8.891   2.662   3.167
   10   2HG2  VAL   1          2HG2      VAL   1  -9.379   3.117   1.534
   11   3HG2  VAL   1          3HG2      VAL   1 -10.032   3.985   2.924
   12    H    GLY   2           HN       GLY   2  -6.648   6.933   3.322
   13   1HA   GLY   2           HA2      GLY   2  -5.553   8.583   1.241
   14   2HA   GLY   2           HA1      GLY   2  -4.928   8.412   2.874
   15    H    CYS   3           HN       CYS   3  -2.876   8.528   1.567
   16    HA   CYS   3           HA       CYS   3  -2.169   5.922   0.410
   17   1HB   CYS   3           HB2      CYS   3  -1.791   8.330  -0.695
   18   2HB   CYS   3           HB1      CYS   3  -0.300   8.229   0.235
   19    H    GLU   4           HN       GLU   4  -1.414   8.158   2.977
   20    HA   GLU   4           HA       GLU   4   0.931   6.674   3.804
   21   1HB   GLU   4           HB2      GLU   4   0.552   9.232   3.972
   22   2HB   GLU   4           HB1      GLU   4  -0.382   8.835   5.408
   23   1HG   GLU   4           HG2      GLU   4   1.654   7.629   6.262
   24   2HG   GLU   4           HG1      GLU   4   2.541   8.344   4.916
   25    H    GLU   5           HN       GLU   5  -2.195   6.048   4.034
   26    HA   GLU   5           HA       GLU   5  -2.052   4.964   6.756
   27   1HB   GLU   5           HB2      GLU   5  -4.342   5.887   5.060
   28   2HB   GLU   5           HB1      GLU   5  -4.620   4.715   6.341
   29   1HG   GLU   5           HG2      GLU   5  -4.385   6.239   7.966
   30   2HG   GLU   5           HG1      GLU   5  -3.067   7.070   7.141
   31    H    CYS   6           HN       CYS   6  -2.408   4.171   3.403
   32    HA   CYS   6           HA       CYS   6  -3.514   1.629   3.602
   33   1HB   CYS   6           HB2      CYS   6  -1.821   3.003   1.575
   34   2HB   CYS   6           HB1      CYS   6  -2.080   1.269   1.418
   35    HA   PRO   7           HA       PRO   7   1.274   0.210   3.723
   36   1HB   PRO   7           HB2      PRO   7   1.856   2.300   5.783
   37   2HB   PRO   7           HB1      PRO   7   2.932   1.583   4.576
   38   1HG   PRO   7           HG2      PRO   7   1.920   4.025   4.218
   39   2HG   PRO   7           HG1      PRO   7   2.103   2.903   2.858
   40   1HD   PRO   7           HD2      PRO   7  -0.363   3.733   4.305
   41   2HD   PRO   7           HD1      PRO   7  -0.162   3.263   2.610
   42    H    MET   8           HN       MET   8  -0.836   1.508   6.178
   43    HA   MET   8           HA       MET   8  -0.043  -0.212   8.306
   44   1HB   MET   8           HB2      MET   8  -1.241   1.972   8.577
   45   2HB   MET   8           HB1      MET   8  -2.677   1.217   7.892
   46   1HG   MET   8           HG2      MET   8  -2.903  -0.241   9.741
   47   2HG   MET   8           HG1      MET   8  -1.303   0.175  10.354
   48   1HE   MET   8           HE1      MET   8  -4.632   1.308   9.316
   49   2HE   MET   8           HE2      MET   8  -4.428   3.053   9.472
   50   3HE   MET   8           HE3      MET   8  -5.266   2.147  10.732
   51    H    HIS   9           HN       HIS   9  -2.669  -0.212   5.944
   52    HA   HIS   9           HA       HIS   9  -3.898  -2.588   6.867
   53   1HB   HIS   9           HB2      HIS   9  -5.418  -2.254   5.161
   54   2HB   HIS   9           HB1      HIS   9  -4.779  -0.639   5.340
   55    HD1  HIS   9           HD1      HIS   9  -3.805  -3.671   3.218
   56    HD2  HIS   9           HD2      HIS   9  -4.382   0.423   2.961
   57    HE1  HIS   9           HE1      HIS   9  -3.346  -3.085   0.816
   58    HE2  HIS   9           HE2      HIS   9  -3.801  -0.611   0.660
   59    H    CYS  10           HN       CYS  10  -1.195  -1.972   4.799
   60    HA   CYS  10           HA       CYS  10  -1.033  -4.855   4.210
   61   1HB   CYS  10           HB2      CYS  10  -1.313  -2.903   2.317
   62   2HB   CYS  10           HB1      CYS  10   0.437  -3.061   2.396
   63    H    LYS  11           HN       LYS  11   0.223  -5.225   6.067
   64    HA   LYS  11           HA       LYS  11   2.943  -4.096   5.946
   65   1HB   LYS  11           HB2      LYS  11   1.549  -5.120   8.422
   66   2HB   LYS  11           HB1      LYS  11   3.096  -4.288   8.340
   67   1HG   LYS  11           HG2      LYS  11   0.827  -2.808   7.207
   68   2HG   LYS  11           HG1      LYS  11   0.749  -3.099   8.946
   69   1HD   LYS  11           HD2      LYS  11   3.192  -1.974   7.596
   70   2HD   LYS  11           HD1      LYS  11   1.887  -0.954   8.206
   71   1HE   LYS  11           HE2      LYS  11   2.228  -1.746  10.440
   72   2HE   LYS  11           HE1      LYS  11   3.377  -2.963   9.886
   73   1HZ   LYS  11           HZ1      LYS  11   5.014  -1.422   9.596
   74   2HZ   LYS  11           HZ2      LYS  11   4.188  -0.704  10.885
   75   3HZ   LYS  11           HZ3      LYS  11   3.941  -0.145   9.308
   76    H    GLY  12           HN       GLY  12   4.370  -5.541   5.264
   77   1HA   GLY  12           HA2      GLY  12   4.220  -8.274   6.312
   78   2HA   GLY  12           HA1      GLY  12   4.284  -8.046   4.572
   79    H    LYS  13           HN       LYS  13   6.214  -7.720   3.603
   80    HA   LYS  13           HA       LYS  13   8.508  -6.793   5.011
   81   1HB   LYS  13           HB2      LYS  13   7.977  -9.610   4.957
   82   2HB   LYS  13           HB1      LYS  13   9.435  -9.277   4.035
   83   1HG   LYS  13           HG2      LYS  13  10.613  -8.634   5.859
   84   2HG   LYS  13           HG1      LYS  13   9.198  -7.970   6.676
   85   1HD   LYS  13           HD2      LYS  13   8.968  -9.836   7.863
   86   2HD   LYS  13           HD1      LYS  13   8.868 -10.795   6.385
   87   1HE   LYS  13           HE2      LYS  13  10.687 -11.563   7.823
   88   2HE   LYS  13           HE1      LYS  13  11.300 -10.931   6.296
   89   1HZ   LYS  13           HZ1      LYS  13  12.695  -9.985   7.852
   90   2HZ   LYS  13           HZ2      LYS  13  11.465  -9.743   8.987
   91   3HZ   LYS  13           HZ3      LYS  13  11.557  -8.755   7.617
   92    H    ASN  14           HN       ASN  14   7.163  -8.312   2.146
   93    HA   ASN  14           HA       ASN  14   9.020  -6.751   0.535
   94   1HB   ASN  14           HB2      ASN  14   8.198  -9.623   0.201
   95   2HB   ASN  14           HB1      ASN  14   8.732  -8.672  -1.182
   96   1HD2  ASN  14          1HD2      ASN  14  10.823  -7.388  -0.644
   97   2HD2  ASN  14          2HD2      ASN  14  12.081  -8.325   0.080
   98    H    ALA  15           HN       ALA  15   6.448  -6.052   1.483
   99    HA   ALA  15           HA       ALA  15   5.023  -5.858  -1.074
  100   1HB   ALA  15           HB1      ALA  15   2.993  -5.722   0.746
  101   2HB   ALA  15           HB2      ALA  15   4.057  -6.929   1.467
  102   3HB   ALA  15           HB3      ALA  15   3.442  -7.161  -0.170
  103    H    LYS  16           HN       LYS  16   5.305  -3.778  -1.637
  104    HA   LYS  16           HA       LYS  16   5.011  -1.726   0.442
  105   1HB   LYS  16           HB2      LYS  16   7.122  -1.610  -0.728
  106   2HB   LYS  16           HB1      LYS  16   6.302  -1.580  -2.282
  107   1HG   LYS  16           HG2      LYS  16   6.654   0.633  -2.098
  108   2HG   LYS  16           HG1      LYS  16   5.177   0.570  -1.136
  109   1HD   LYS  16           HD2      LYS  16   6.312   1.424   0.574
  110   2HD   LYS  16           HD1      LYS  16   7.278  -0.052   0.622
  111   1HE   LYS  16           HE2      LYS  16   7.874   2.532  -0.790
  112   2HE   LYS  16           HE1      LYS  16   8.827   1.714   0.447
  113   1HZ   LYS  16           HZ1      LYS  16   8.607   1.133  -2.416
  114   2HZ   LYS  16           HZ2      LYS  16   8.885  -0.159  -1.360
  115   3HZ   LYS  16           HZ3      LYS  16   9.973   1.135  -1.417
  116    HA   PRO  17           HA       PRO  17   1.120  -0.630  -1.402
  117   1HB   PRO  17           HB2      PRO  17   0.640   1.618  -0.009
  118   2HB   PRO  17           HB1      PRO  17   0.565   0.020   0.745
  119   1HG   PRO  17           HG2      PRO  17   2.767   2.048   0.818
  120   2HG   PRO  17           HG1      PRO  17   2.116   1.056   2.136
  121   1HD   PRO  17           HD2      PRO  17   4.412   0.446   0.783
  122   2HD   PRO  17           HD1      PRO  17   3.370  -0.773   1.543
  123    H    THR  18           HN       THR  18   0.329   0.728  -2.982
  124    HA   THR  18           HA       THR  18   1.925   3.054  -3.739
  125    HB   THR  18           HB       THR  18   2.668   1.093  -5.090
  126    HG1  THR  18           HG1      THR  18   2.974   3.046  -6.043
  127   1HG2  THR  18          1HG2      THR  18  -0.147   0.802  -5.483
  128   2HG2  THR  18          2HG2      THR  18   1.168  -0.287  -5.920
  129   3HG2  THR  18          3HG2      THR  18   0.679   0.998  -7.026
  130    H    CYS  19           HN       CYS  19   0.816   4.604  -5.036
  131    HA   CYS  19           HA       CYS  19  -2.116   4.342  -4.891
  132   1HB   CYS  19           HB2      CYS  19  -0.297   6.656  -4.344
  133   2HB   CYS  19           HB1      CYS  19  -1.935   6.958  -4.913
  134    H    ASP  20           HN       ASP  20  -3.094   4.262  -6.800
  135    HA   ASP  20           HA       ASP  20  -1.885   5.644  -9.070
  136   1HB   ASP  20           HB2      ASP  20  -1.734   3.027  -8.954
  137   2HB   ASP  20           HB1      ASP  20  -3.414   3.111  -9.468
  138    H    ASP  21           HN       ASP  21  -3.221   7.342  -9.346
  139    HA   ASP  21           HA       ASP  21  -5.125   8.568  -9.613
  140   1HB   ASP  21           HB2      ASP  21  -5.616   6.025 -11.100
  141   2HB   ASP  21           HB1      ASP  21  -6.955   7.154 -10.918
  142    H    GLY  22           HN       GLY  22  -5.012   7.786  -7.089
  143   1HA   GLY  22           HA2      GLY  22  -6.308   7.640  -5.220
  144   2HA   GLY  22           HA1      GLY  22  -7.698   7.749  -6.278
  145    H    VAL  23           HN       VAL  23  -5.518   5.227  -7.018
  146    HA   VAL  23           HA       VAL  23  -7.343   3.284  -5.763
  147    HB   VAL  23           HB       VAL  23  -5.585   2.828  -8.175
  148   1HG1  VAL  23          1HG1      VAL  23  -6.599   0.969  -6.497
  149   2HG1  VAL  23          2HG1      VAL  23  -6.307   0.695  -8.215
  150   3HG1  VAL  23          3HG1      VAL  23  -7.923   1.121  -7.652
  151   1HG2  VAL  23          1HG2      VAL  23  -8.499   2.857  -8.531
  152   2HG2  VAL  23          2HG2      VAL  23  -7.221   3.505  -9.560
  153   3HG2  VAL  23          3HG2      VAL  23  -7.781   4.426  -8.165
  154    H    CYS  24           HN       CYS  24  -6.360   2.816  -3.861
  155    HA   CYS  24           HA       CYS  24  -3.533   2.562  -3.574
  156   1HB   CYS  24           HB2      CYS  24  -5.731   2.790  -1.851
  157   2HB   CYS  24           HB1      CYS  24  -5.035   1.214  -1.493
  158    H    ASN  25           HN       ASN  25  -2.254   0.788  -3.628
  159    HA   ASN  25           HA       ASN  25  -3.315  -1.870  -3.545
  160   1HB   ASN  25           HB2      ASN  25  -3.018  -0.590  -6.081
  161   2HB   ASN  25           HB1      ASN  25  -1.862  -1.910  -5.963
  162   1HD2  ASN  25          1HD2      ASN  25  -3.154  -2.834  -7.688
  163   2HD2  ASN  25          2HD2      ASN  25  -4.578  -3.727  -7.287
  164    H    CYS  26           HN       CYS  26  -1.872  -3.089  -2.556
  165    HA   CYS  26           HA       CYS  26   0.932  -2.212  -2.533
  166   1HB   CYS  26           HB2      CYS  26   1.092  -3.718  -0.498
  167   2HB   CYS  26           HB1      CYS  26   0.085  -2.286  -0.314
  168    H    ASN  27           HN       ASN  27   2.474  -3.428  -3.423
  169    HA   ASN  27           HA       ASN  27   1.855  -6.222  -4.084
  170   1HB   ASN  27           HB2      ASN  27   2.790  -4.035  -5.873
  171   2HB   ASN  27           HB1      ASN  27   3.414  -5.658  -6.154
  172   1HD2  ASN  27          1HD2      ASN  27   0.942  -3.526  -6.800
  173   2HD2  ASN  27          2HD2      ASN  27  -0.215  -4.641  -7.433
  174    H    VAL  28           HN       VAL  28   4.689  -4.258  -4.743
  175    HA   VAL  28           HA       VAL  28   6.218  -5.729  -2.733
  176    HB   VAL  28           HB       VAL  28   6.519  -6.995  -4.808
  177   1HG1  VAL  28          1HG1      VAL  28   6.176  -4.833  -6.214
  178   2HG1  VAL  28          2HG1      VAL  28   7.235  -6.109  -6.814
  179   3HG1  VAL  28          3HG1      VAL  28   7.926  -4.674  -6.056
  180   1HG2  VAL  28          1HG2      VAL  28   8.847  -7.199  -4.696
  181   2HG2  VAL  28          2HG2      VAL  28   8.391  -6.576  -3.111
  182   3HG2  VAL  28          3HG2      VAL  28   9.070  -5.490  -4.322
  Start of MODEL   21
    1   1H    VAL   1           HT1      VAL   1  -9.910   3.337   2.416
    2   2H    VAL   1           HT2      VAL   1  -9.379   1.723   2.652
    3   3H    VAL   1           HT3      VAL   1  -8.986   2.555   1.203
    4    HA   VAL   1           HA       VAL   1  -8.170   3.650   3.773
    5    HB   VAL   1           HB       VAL   1  -6.025   2.413   3.557
    6   1HG1  VAL   1          1HG1      VAL   1  -6.754   0.498   4.707
    7   2HG1  VAL   1          2HG1      VAL   1  -8.295   0.466   3.849
    8   3HG1  VAL   1          3HG1      VAL   1  -7.977   1.724   5.044
    9   1HG2  VAL   1          1HG2      VAL   1  -5.833   1.652   1.394
   10   2HG2  VAL   1          2HG2      VAL   1  -7.514   1.127   1.314
   11   3HG2  VAL   1          3HG2      VAL   1  -6.337   0.181   2.225
   12    H    GLY   2           HN       GLY   2  -7.008   5.443   3.441
   13   1HA   GLY   2           HA2      GLY   2  -6.757   6.585   0.886
   14   2HA   GLY   2           HA1      GLY   2  -5.948   7.154   2.339
   15    H    CYS   3           HN       CYS   3  -4.107   7.671   1.063
   16    HA   CYS   3           HA       CYS   3  -2.591   5.335   0.110
   17   1HB   CYS   3           HB2      CYS   3  -3.204   7.441  -1.380
   18   2HB   CYS   3           HB1      CYS   3  -1.782   8.119  -0.596
   19    H    GLU   4           HN       GLU   4  -2.602   7.997   2.330
   20    HA   GLU   4           HA       GLU   4   0.200   7.646   3.011
   21   1HB   GLU   4           HB2      GLU   4  -1.936   9.533   3.961
   22   2HB   GLU   4           HB1      GLU   4  -0.349   9.459   4.712
   23   1HG   GLU   4           HG2      GLU   4   0.476   9.788   2.240
   24   2HG   GLU   4           HG1      GLU   4  -1.136  10.471   2.031
   25    H    GLU   5           HN       GLU   5  -2.424   5.960   3.694
   26    HA   GLU   5           HA       GLU   5  -1.411   5.157   6.318
   27   1HB   GLU   5           HB2      GLU   5  -4.251   5.841   5.613
   28   2HB   GLU   5           HB1      GLU   5  -3.876   4.763   6.950
   29   1HG   GLU   5           HG2      GLU   5  -3.245   6.438   8.280
   30   2HG   GLU   5           HG1      GLU   5  -2.358   7.254   6.993
   31    H    CYS   6           HN       CYS   6  -1.231   4.062   3.552
   32    HA   CYS   6           HA       CYS   6  -2.849   1.696   3.585
   33   1HB   CYS   6           HB2      CYS   6  -1.018   2.988   1.696
   34   2HB   CYS   6           HB1      CYS   6  -0.990   1.228   1.643
   35    HA   PRO   7           HA       PRO   7   1.755  -0.098   4.314
   36   1HB   PRO   7           HB2      PRO   7   2.286   2.045   6.334
   37   2HB   PRO   7           HB1      PRO   7   3.422   1.177   5.293
   38   1HG   PRO   7           HG2      PRO   7   2.677   3.668   4.707
   39   2HG   PRO   7           HG1      PRO   7   2.902   2.459   3.430
   40   1HD   PRO   7           HD2      PRO   7   0.379   3.571   4.557
   41   2HD   PRO   7           HD1      PRO   7   0.718   2.998   2.916
   42    H    MET   8           HN       MET   8  -0.486   1.493   6.463
   43    HA   MET   8           HA       MET   8  -0.081  -0.189   8.729
   44   1HB   MET   8           HB2      MET   8  -2.273   1.700   7.879
   45   2HB   MET   8           HB1      MET   8  -2.368   0.773   9.372
   46   1HG   MET   8           HG2      MET   8  -1.501   2.745  10.136
   47   2HG   MET   8           HG1      MET   8  -0.027   1.824   9.841
   48   1HE   MET   8           HE1      MET   8  -1.040   5.214   9.829
   49   2HE   MET   8           HE2      MET   8  -2.338   4.715   8.744
   50   3HE   MET   8           HE3      MET   8  -1.092   5.827   8.176
   51    H    HIS   9           HN       HIS   9  -2.412  -0.065   6.084
   52    HA   HIS   9           HA       HIS   9  -3.922  -2.311   6.967
   53   1HB   HIS   9           HB2      HIS   9  -5.311  -1.840   5.197
   54   2HB   HIS   9           HB1      HIS   9  -4.508  -0.297   5.351
   55    HD1  HIS   9           HD1      HIS   9  -3.784  -3.500   3.388
   56    HD2  HIS   9           HD2      HIS   9  -3.882   0.619   2.963
   57    HE1  HIS   9           HE1      HIS   9  -3.157  -3.065   0.991
   58    HE2  HIS   9           HE2      HIS   9  -3.321  -0.563   0.727
   59    H    CYS  10           HN       CYS  10  -1.048  -1.919   5.086
   60    HA   CYS  10           HA       CYS  10  -1.041  -4.817   4.558
   61   1HB   CYS  10           HB2      CYS  10  -1.168  -2.954   2.586
   62   2HB   CYS  10           HB1      CYS  10   0.575  -3.119   2.758
   63    H    LYS  11           HN       LYS  11   0.240  -5.474   6.215
   64    HA   LYS  11           HA       LYS  11   2.910  -4.238   6.405
   65   1HB   LYS  11           HB2      LYS  11   1.558  -5.775   8.616
   66   2HB   LYS  11           HB1      LYS  11   2.971  -4.735   8.726
   67   1HG   LYS  11           HG2      LYS  11   1.456  -2.822   8.074
   68   2HG   LYS  11           HG1      LYS  11   0.106  -3.929   8.333
   69   1HD   LYS  11           HD2      LYS  11   0.223  -3.002  10.414
   70   2HD   LYS  11           HD1      LYS  11   1.367  -4.328  10.633
   71   1HE   LYS  11           HE2      LYS  11   2.465  -2.449  11.499
   72   2HE   LYS  11           HE1      LYS  11   3.163  -2.674   9.896
   73   1HZ   LYS  11           HZ1      LYS  11   1.966  -0.877   9.048
   74   2HZ   LYS  11           HZ2      LYS  11   2.498  -0.333  10.558
   75   3HZ   LYS  11           HZ3      LYS  11   0.895  -0.834  10.357
   76    H    GLY  12           HN       GLY  12   4.429  -5.476   5.546
   77   1HA   GLY  12           HA2      GLY  12   4.448  -8.333   6.157
   78   2HA   GLY  12           HA1      GLY  12   4.459  -7.861   4.465
   79    H    LYS  13           HN       LYS  13   6.341  -7.266   3.527
   80    HA   LYS  13           HA       LYS  13   8.597  -6.378   5.016
   81   1HB   LYS  13           HB2      LYS  13   8.259  -9.195   4.597
   82   2HB   LYS  13           HB1      LYS  13   9.669  -8.640   3.707
   83   1HG   LYS  13           HG2      LYS  13  10.822  -8.087   5.598
   84   2HG   LYS  13           HG1      LYS  13   9.357  -7.770   6.530
   85   1HD   LYS  13           HD2      LYS  13   9.959  -9.748   7.485
   86   2HD   LYS  13           HD1      LYS  13   9.012 -10.377   6.135
   87   1HE   LYS  13           HE2      LYS  13  11.024 -11.622   6.174
   88   2HE   LYS  13           HE1      LYS  13  11.168 -10.488   4.831
   89   1HZ   LYS  13           HZ1      LYS  13  12.204  -9.669   7.444
   90   2HZ   LYS  13           HZ2      LYS  13  12.762  -9.285   5.894
   91   3HZ   LYS  13           HZ3      LYS  13  13.094 -10.804   6.560
   92    H    ASN  14           HN       ASN  14   7.427  -7.763   1.990
   93    HA   ASN  14           HA       ASN  14   9.053  -5.809   0.560
   94   1HB   ASN  14           HB2      ASN  14   8.556  -8.702  -0.039
   95   2HB   ASN  14           HB1      ASN  14   8.854  -7.580  -1.363
   96   1HD2  ASN  14          1HD2      ASN  14  10.181  -8.617   1.748
   97   2HD2  ASN  14          2HD2      ASN  14  11.840  -8.444   1.296
   98    H    ALA  15           HN       ALA  15   6.438  -5.467   1.587
   99    HA   ALA  15           HA       ALA  15   4.863  -5.354  -0.895
  100   1HB   ALA  15           HB1      ALA  15   2.994  -5.054   1.042
  101   2HB   ALA  15           HB2      ALA  15   4.147  -6.119   1.848
  102   3HB   ALA  15           HB3      ALA  15   3.430  -6.598   0.309
  103    H    LYS  16           HN       LYS  16   5.303  -3.336  -1.642
  104    HA   LYS  16           HA       LYS  16   5.022  -1.088   0.223
  105   1HB   LYS  16           HB2      LYS  16   7.118  -1.103  -0.983
  106   2HB   LYS  16           HB1      LYS  16   6.275  -1.224  -2.519
  107   1HG   LYS  16           HG2      LYS  16   6.494   0.988  -2.623
  108   2HG   LYS  16           HG1      LYS  16   5.197   1.048  -1.428
  109   1HD   LYS  16           HD2      LYS  16   6.837   2.363  -0.452
  110   2HD   LYS  16           HD1      LYS  16   7.115   0.791   0.299
  111   1HE   LYS  16           HE2      LYS  16   9.093   0.483  -0.761
  112   2HE   LYS  16           HE1      LYS  16   8.559   1.310  -2.224
  113   1HZ   LYS  16           HZ1      LYS  16  10.043   2.817  -1.427
  114   2HZ   LYS  16           HZ2      LYS  16   9.782   2.413   0.195
  115   3HZ   LYS  16           HZ3      LYS  16   8.660   3.375  -0.627
  116    HA   PRO  17           HA       PRO  17   1.063  -0.187  -1.566
  117   1HB   PRO  17           HB2      PRO  17   0.782   2.348  -0.629
  118   2HB   PRO  17           HB1      PRO  17   0.563   0.913   0.378
  119   1HG   PRO  17           HG2      PRO  17   2.937   2.720   0.143
  120   2HG   PRO  17           HG1      PRO  17   2.215   2.004   1.596
  121   1HD   PRO  17           HD2      PRO  17   4.442   0.997   0.422
  122   2HD   PRO  17           HD1      PRO  17   3.262  -0.023   1.271
  123    H    THR  18           HN       THR  18   0.341   0.661  -3.432
  124    HA   THR  18           HA       THR  18   2.025   2.660  -4.781
  125    HB   THR  18           HB       THR  18   0.583   1.296  -6.720
  126    HG1  THR  18           HG1      THR  18   1.289  -0.860  -6.346
  127   1HG2  THR  18          1HG2      THR  18   2.706   0.549  -7.542
  128   2HG2  THR  18          2HG2      THR  18   3.460   0.900  -5.986
  129   3HG2  THR  18          3HG2      THR  18   2.833   2.216  -6.980
  130    H    CYS  19           HN       CYS  19   1.057   4.410  -5.651
  131    HA   CYS  19           HA       CYS  19  -1.841   4.619  -5.255
  132   1HB   CYS  19           HB2      CYS  19   0.268   6.334  -4.551
  133   2HB   CYS  19           HB1      CYS  19  -0.597   7.137  -5.854
  134    H    ASP  20           HN       ASP  20  -3.015   4.341  -7.026
  135    HA   ASP  20           HA       ASP  20  -2.052   5.460  -9.543
  136   1HB   ASP  20           HB2      ASP  20  -1.971   2.858  -9.209
  137   2HB   ASP  20           HB1      ASP  20  -3.698   2.971  -9.524
  138    H    ASP  21           HN       ASP  21  -3.362   7.167  -9.839
  139    HA   ASP  21           HA       ASP  21  -5.244   8.442 -10.004
  140   1HB   ASP  21           HB2      ASP  21  -6.338   5.761 -10.877
  141   2HB   ASP  21           HB1      ASP  21  -7.211   7.281 -11.050
  142    H    GLY  22           HN       GLY  22  -4.784   7.936  -7.441
  143   1HA   GLY  22           HA2      GLY  22  -5.796   8.077  -5.404
  144   2HA   GLY  22           HA1      GLY  22  -7.320   8.157  -6.260
  145    H    VAL  23           HN       VAL  23  -5.424   5.433  -7.027
  146    HA   VAL  23           HA       VAL  23  -7.125   3.761  -5.299
  147    HB   VAL  23           HB       VAL  23  -5.755   2.929  -7.859
  148   1HG1  VAL  23          1HG1      VAL  23  -6.228   1.138  -6.207
  149   2HG1  VAL  23          2HG1      VAL  23  -7.110   0.947  -7.722
  150   3HG1  VAL  23          3HG1      VAL  23  -7.938   1.563  -6.292
  151   1HG2  VAL  23          1HG2      VAL  23  -8.379   2.860  -8.458
  152   2HG2  VAL  23          2HG2      VAL  23  -7.334   4.238  -8.805
  153   3HG2  VAL  23          3HG2      VAL  23  -8.348   4.242  -7.363
  154    H    CYS  24           HN       CYS  24  -5.901   3.441  -3.508
  155    HA   CYS  24           HA       CYS  24  -3.071   2.887  -3.713
  156   1HB   CYS  24           HB2      CYS  24  -4.133   4.232  -1.850
  157   2HB   CYS  24           HB1      CYS  24  -4.793   2.718  -1.240
  158    H    ASN  25           HN       ASN  25  -2.094   0.945  -3.588
  159    HA   ASN  25           HA       ASN  25  -3.410  -1.372  -2.542
  160   1HB   ASN  25           HB2      ASN  25  -3.655  -0.804  -5.328
  161   2HB   ASN  25           HB1      ASN  25  -2.661  -2.241  -5.125
  162   1HD2  ASN  25          1HD2      ASN  25  -5.757  -1.101  -5.382
  163   2HD2  ASN  25          2HD2      ASN  25  -6.608  -2.465  -4.750
  164    H    CYS  26           HN       CYS  26  -1.918  -2.587  -1.619
  165    HA   CYS  26           HA       CYS  26   0.879  -2.051  -2.068
  166   1HB   CYS  26           HB2      CYS  26   1.212  -3.772  -0.272
  167   2HB   CYS  26           HB1      CYS  26   0.198  -2.414   0.205
  168    H    ASN  27           HN       ASN  27   2.313  -3.257  -3.177
  169    HA   ASN  27           HA       ASN  27   1.385  -5.825  -4.268
  170   1HB   ASN  27           HB2      ASN  27   2.792  -3.575  -5.685
  171   2HB   ASN  27           HB1      ASN  27   2.794  -5.220  -6.314
  172   1HD2  ASN  27          1HD2      ASN  27   1.721  -3.032  -7.673
  173   2HD2  ASN  27          2HD2      ASN  27   0.014  -3.259  -7.816
  174    H    VAL  28           HN       VAL  28   4.472  -4.333  -4.919
  175    HA   VAL  28           HA       VAL  28   5.773  -6.381  -3.250
  176    HB   VAL  28           HB       VAL  28   6.870  -5.308  -5.848
  177   1HG1  VAL  28          1HG1      VAL  28   7.836  -7.162  -3.766
  178   2HG1  VAL  28          2HG1      VAL  28   8.736  -6.115  -4.863
  179   3HG1  VAL  28          3HG1      VAL  28   8.106  -7.659  -5.436
  180   1HG2  VAL  28          1HG2      VAL  28   5.363  -7.861  -5.298
  181   2HG2  VAL  28          2HG2      VAL  28   6.294  -7.555  -6.765
  182   3HG2  VAL  28          3HG2      VAL  28   4.893  -6.553  -6.384
  Start of MODEL   22
    1   1H    VAL   1           HT1      VAL   1  -6.424   1.587   3.151
    2   2H    VAL   1           HT2      VAL   1  -8.040   1.037   3.330
    3   3H    VAL   1           HT3      VAL   1  -7.348   2.075   4.509
    4    HA   VAL   1           HA       VAL   1  -7.977   2.718   1.709
    5    HB   VAL   1           HB       VAL   1  -9.501   4.379   2.745
    6   1HG1  VAL   1          1HG1      VAL   1 -11.229   2.744   3.456
    7   2HG1  VAL   1          2HG1      VAL   1  -9.993   1.486   3.434
    8   3HG1  VAL   1          3HG1      VAL   1 -10.434   2.316   1.941
    9   1HG2  VAL   1          1HG2      VAL   1  -8.131   4.073   5.010
   10   2HG2  VAL   1          2HG2      VAL   1  -9.437   2.933   5.331
   11   3HG2  VAL   1          3HG2      VAL   1  -9.807   4.622   4.985
   12    H    GLY   2           HN       GLY   2  -7.673   5.011   1.212
   13   1HA   GLY   2           HA2      GLY   2  -6.627   7.100   1.527
   14   2HA   GLY   2           HA1      GLY   2  -5.757   6.432   2.901
   15    H    CYS   3           HN       CYS   3  -3.953   7.597   1.827
   16    HA   CYS   3           HA       CYS   3  -2.716   5.888  -0.231
   17   1HB   CYS   3           HB2      CYS   3  -3.403   8.146  -1.070
   18   2HB   CYS   3           HB1      CYS   3  -2.293   8.864   0.092
   19    H    GLU   4           HN       GLU   4  -2.153   8.025   2.533
   20    HA   GLU   4           HA       GLU   4   0.548   6.942   2.818
   21   1HB   GLU   4           HB2      GLU   4  -0.844   9.314   4.026
   22   2HB   GLU   4           HB1      GLU   4   0.710   8.744   4.617
   23   1HG   GLU   4           HG2      GLU   4   1.531   8.994   2.222
   24   2HG   GLU   4           HG1      GLU   4   0.046   9.898   1.930
   25    H    GLU   5           HN       GLU   5  -2.377   6.054   3.748
   26    HA   GLU   5           HA       GLU   5  -1.480   5.096   6.376
   27   1HB   GLU   5           HB2      GLU   5  -4.189   5.979   5.434
   28   2HB   GLU   5           HB1      GLU   5  -4.027   4.884   6.800
   29   1HG   GLU   5           HG2      GLU   5  -2.636   7.542   6.664
   30   2HG   GLU   5           HG1      GLU   5  -4.247   7.329   7.350
   31    H    CYS   6           HN       CYS   6  -1.464   3.977   3.478
   32    HA   CYS   6           HA       CYS   6  -3.109   1.644   3.701
   33   1HB   CYS   6           HB2      CYS   6  -1.114   2.579   1.666
   34   2HB   CYS   6           HB1      CYS   6  -1.827   0.972   1.579
   35    HA   PRO   7           HA       PRO   7   1.521  -0.165   4.190
   36   1HB   PRO   7           HB2      PRO   7   2.110   1.899   6.272
   37   2HB   PRO   7           HB1      PRO   7   3.212   1.085   5.155
   38   1HG   PRO   7           HG2      PRO   7   2.439   3.595   4.708
   39   2HG   PRO   7           HG1      PRO   7   2.619   2.445   3.369
   40   1HD   PRO   7           HD2      PRO   7   0.135   3.481   4.653
   41   2HD   PRO   7           HD1      PRO   7   0.417   3.014   2.968
   42    H    MET   8           HN       MET   8  -0.708   1.312   6.422
   43    HA   MET   8           HA       MET   8  -0.215  -0.447   8.622
   44   1HB   MET   8           HB2      MET   8  -2.472   1.441   7.938
   45   2HB   MET   8           HB1      MET   8  -2.426   0.503   9.426
   46   1HG   MET   8           HG2      MET   8  -0.166   2.311   8.662
   47   2HG   MET   8           HG1      MET   8  -1.601   2.926   9.481
   48   1HE   MET   8           HE1      MET   8  -2.519   1.909  11.676
   49   2HE   MET   8           HE2      MET   8  -1.563   1.007  12.852
   50   3HE   MET   8           HE3      MET   8  -2.194   0.195  11.419
   51    H    HIS   9           HN       HIS   9  -2.512  -0.275   5.965
   52    HA   HIS   9           HA       HIS   9  -4.028  -2.544   6.843
   53   1HB   HIS   9           HB2      HIS   9  -5.484  -2.028   5.131
   54   2HB   HIS   9           HB1      HIS   9  -4.731  -0.472   5.383
   55    HD1  HIS   9           HD1      HIS   9  -3.926  -3.486   3.163
   56    HD2  HIS   9           HD2      HIS   9  -4.241   0.645   3.044
   57    HE1  HIS   9           HE1      HIS   9  -3.394  -2.845   0.790
   58    HE2  HIS   9           HE2      HIS   9  -3.485  -0.327   0.765
   59    H    CYS  10           HN       CYS  10  -1.137  -2.119   5.077
   60    HA   CYS  10           HA       CYS  10  -1.155  -4.972   4.394
   61   1HB   CYS  10           HB2      CYS  10  -1.590  -3.265   2.420
   62   2HB   CYS  10           HB1      CYS  10   0.157  -3.072   2.498
   63    H    LYS  11           HN       LYS  11   0.567  -5.972   5.195
   64    HA   LYS  11           HA       LYS  11   2.549  -4.742   6.693
   65   1HB   LYS  11           HB2      LYS  11   2.785  -7.384   5.243
   66   2HB   LYS  11           HB1      LYS  11   3.728  -6.871   6.636
   67   1HG   LYS  11           HG2      LYS  11   1.360  -6.632   7.746
   68   2HG   LYS  11           HG1      LYS  11   0.902  -7.780   6.487
   69   1HD   LYS  11           HD2      LYS  11   1.489  -9.079   8.374
   70   2HD   LYS  11           HD1      LYS  11   2.849  -9.201   7.256
   71   1HE   LYS  11           HE2      LYS  11   4.223  -7.916   8.573
   72   2HE   LYS  11           HE1      LYS  11   2.879  -7.054   9.320
   73   1HZ   LYS  11           HZ1      LYS  11   3.378  -8.394  11.039
   74   2HZ   LYS  11           HZ2      LYS  11   4.117  -9.570  10.075
   75   3HZ   LYS  11           HZ3      LYS  11   2.431  -9.520  10.202
   76    H    GLY  12           HN       GLY  12   4.228  -3.517   6.155
   77   1HA   GLY  12           HA2      GLY  12   5.069  -3.414   3.364
   78   2HA   GLY  12           HA1      GLY  12   5.511  -2.273   4.624
   79    H    LYS  13           HN       LYS  13   5.832  -5.802   4.390
   80    HA   LYS  13           HA       LYS  13   8.704  -5.466   4.775
   81   1HB   LYS  13           HB2      LYS  13   6.775  -7.339   6.046
   82   2HB   LYS  13           HB1      LYS  13   8.411  -7.913   5.751
   83   1HG   LYS  13           HG2      LYS  13   8.962  -7.001   7.695
   84   2HG   LYS  13           HG1      LYS  13   8.779  -5.429   6.914
   85   1HD   LYS  13           HD2      LYS  13   7.337  -5.116   8.644
   86   2HD   LYS  13           HD1      LYS  13   6.221  -5.884   7.513
   87   1HE   LYS  13           HE2      LYS  13   5.944  -6.952   9.624
   88   2HE   LYS  13           HE1      LYS  13   6.798  -8.078   8.570
   89   1HZ   LYS  13           HZ1      LYS  13   8.091  -6.334  10.597
   90   2HZ   LYS  13           HZ2      LYS  13   8.864  -7.487   9.631
   91   3HZ   LYS  13           HZ3      LYS  13   7.751  -7.978  10.807
   92    H    ASN  14           HN       ASN  14   6.197  -7.002   2.997
   93    HA   ASN  14           HA       ASN  14   8.158  -7.992   1.121
   94   1HB   ASN  14           HB2      ASN  14   7.340  -9.856   2.725
   95   2HB   ASN  14           HB1      ASN  14   5.815  -9.733   1.853
   96   1HD2  ASN  14          1HD2      ASN  14   5.683 -10.450  -0.247
   97   2HD2  ASN  14          2HD2      ASN  14   6.920 -11.400  -0.991
   98    H    ALA  15           HN       ALA  15   6.370  -5.749   1.304
   99    HA   ALA  15           HA       ALA  15   5.382  -5.692  -1.304
  100   1HB   ALA  15           HB1      ALA  15   3.730  -7.265   0.083
  101   2HB   ALA  15           HB2      ALA  15   3.180  -6.224  -1.230
  102   3HB   ALA  15           HB3      ALA  15   2.999  -5.701   0.444
  103    H    LYS  16           HN       LYS  16   5.203  -3.612  -1.878
  104    HA   LYS  16           HA       LYS  16   4.921  -1.629   0.276
  105   1HB   LYS  16           HB2      LYS  16   7.054  -1.438  -0.820
  106   2HB   LYS  16           HB1      LYS  16   6.292  -1.430  -2.404
  107   1HG   LYS  16           HG2      LYS  16   5.202   0.717  -1.813
  108   2HG   LYS  16           HG1      LYS  16   6.111   0.715  -0.300
  109   1HD   LYS  16           HD2      LYS  16   8.200   0.511  -1.748
  110   2HD   LYS  16           HD1      LYS  16   7.158   0.927  -3.111
  111   1HE   LYS  16           HE2      LYS  16   7.801   3.027  -2.566
  112   2HE   LYS  16           HE1      LYS  16   6.463   2.884  -1.427
  113   1HZ   LYS  16           HZ1      LYS  16   8.095   3.562  -0.025
  114   2HZ   LYS  16           HZ2      LYS  16   9.342   2.858  -0.926
  115   3HZ   LYS  16           HZ3      LYS  16   8.371   1.895   0.068
  116    HA   PRO  17           HA       PRO  17   1.017  -0.552  -1.544
  117   1HB   PRO  17           HB2      PRO  17   0.640   1.826  -0.288
  118   2HB   PRO  17           HB1      PRO  17   0.415   0.266   0.508
  119   1HG   PRO  17           HG2      PRO  17   2.750   2.133   0.620
  120   2HG   PRO  17           HG1      PRO  17   1.990   1.211   1.930
  121   1HD   PRO  17           HD2      PRO  17   4.288   0.422   0.720
  122   2HD   PRO  17           HD1      PRO  17   3.108  -0.727   1.384
  123    H    THR  18           HN       THR  18   0.361   0.518  -3.312
  124    HA   THR  18           HA       THR  18   2.011   2.748  -4.284
  125    HB   THR  18           HB       THR  18   0.803   1.567  -6.483
  126    HG1  THR  18           HG1      THR  18   0.660  -0.455  -6.003
  127   1HG2  THR  18          1HG2      THR  18   3.639   1.296  -5.555
  128   2HG2  THR  18          2HG2      THR  18   2.982   2.622  -6.515
  129   3HG2  THR  18          3HG2      THR  18   3.048   0.993  -7.189
  130    H    CYS  19           HN       CYS  19   0.974   4.517  -5.075
  131    HA   CYS  19           HA       CYS  19  -1.960   4.476  -4.880
  132   1HB   CYS  19           HB2      CYS  19   0.069   6.622  -4.341
  133   2HB   CYS  19           HB1      CYS  19  -1.595   7.048  -4.724
  134    H    ASP  20           HN       ASP  20  -2.953   4.432  -6.775
  135    HA   ASP  20           HA       ASP  20  -1.850   5.984  -8.987
  136   1HB   ASP  20           HB2      ASP  20  -1.632   3.369  -9.049
  137   2HB   ASP  20           HB1      ASP  20  -3.330   3.444  -9.504
  138    H    ASP  21           HN       ASP  21  -3.236   7.648  -9.146
  139    HA   ASP  21           HA       ASP  21  -5.175   8.839  -9.284
  140   1HB   ASP  21           HB2      ASP  21  -5.701   6.337 -10.829
  141   2HB   ASP  21           HB1      ASP  21  -7.041   7.443 -10.547
  142    H    GLY  22           HN       GLY  22  -4.906   7.952  -6.801
  143   1HA   GLY  22           HA2      GLY  22  -6.101   7.719  -4.873
  144   2HA   GLY  22           HA1      GLY  22  -7.547   7.839  -5.851
  145    H    VAL  23           HN       VAL  23  -5.382   5.390  -6.820
  146    HA   VAL  23           HA       VAL  23  -7.115   3.366  -5.566
  147    HB   VAL  23           HB       VAL  23  -5.399   3.020  -8.026
  148   1HG1  VAL  23          1HG1      VAL  23  -6.364   1.095  -6.398
  149   2HG1  VAL  23          2HG1      VAL  23  -6.113   0.884  -8.131
  150   3HG1  VAL  23          3HG1      VAL  23  -7.717   1.279  -7.513
  151   1HG2  VAL  23          1HG2      VAL  23  -7.354   3.286  -9.364
  152   2HG2  VAL  23          2HG2      VAL  23  -7.249   4.690  -8.303
  153   3HG2  VAL  23          3HG2      VAL  23  -8.387   3.393  -7.939
  154    H    CYS  24           HN       CYS  24  -6.070   2.875  -3.696
  155    HA   CYS  24           HA       CYS  24  -3.204   2.538  -3.621
  156   1HB   CYS  24           HB2      CYS  24  -4.961   3.324  -1.745
  157   2HB   CYS  24           HB1      CYS  24  -4.879   1.610  -1.352
  158    H    ASN  25           HN       ASN  25  -2.077   0.669  -3.633
  159    HA   ASN  25           HA       ASN  25  -3.319  -1.877  -3.170
  160   1HB   ASN  25           HB2      ASN  25  -2.837  -2.814  -5.397
  161   2HB   ASN  25           HB1      ASN  25  -4.015  -1.508  -5.485
  162   1HD2  ASN  25          1HD2      ASN  25  -3.597   0.211  -6.728
  163   2HD2  ASN  25          2HD2      ASN  25  -2.125   0.465  -7.598
  164    H    CYS  26           HN       CYS  26  -1.858  -3.057  -2.143
  165    HA   CYS  26           HA       CYS  26   0.961  -2.346  -2.350
  166   1HB   CYS  26           HB2      CYS  26   1.220  -3.918  -0.415
  167   2HB   CYS  26           HB1      CYS  26   0.137  -2.566  -0.104
  168    H    ASN  27           HN       ASN  27   2.324  -3.423  -3.604
  169    HA   ASN  27           HA       ASN  27   1.644  -6.180  -4.373
  170   1HB   ASN  27           HB2      ASN  27   2.911  -3.999  -6.024
  171   2HB   ASN  27           HB1      ASN  27   2.903  -5.693  -6.507
  172   1HD2  ASN  27          1HD2      ASN  27   1.362  -2.823  -6.853
  173   2HD2  ASN  27          2HD2      ASN  27  -0.193  -3.384  -7.355
  174    H    VAL  28           HN       VAL  28   4.536  -4.274  -4.956
  175    HA   VAL  28           HA       VAL  28   6.062  -5.999  -3.147
  176    HB   VAL  28           HB       VAL  28   6.986  -5.425  -5.962
  177   1HG1  VAL  28          1HG1      VAL  28   8.658  -5.826  -4.076
  178   2HG1  VAL  28          2HG1      VAL  28   8.804  -6.836  -5.514
  179   3HG1  VAL  28          3HG1      VAL  28   8.055  -7.483  -4.054
  180   1HG2  VAL  28          1HG2      VAL  28   6.403  -7.643  -6.575
  181   2HG2  VAL  28          2HG2      VAL  28   4.973  -6.934  -5.825
  182   3HG2  VAL  28          3HG2      VAL  28   5.978  -8.062  -4.916
  Start of MODEL   23
    1   1H    VAL   1           HT1      VAL   1  -9.252   0.647   0.194
    2   2H    VAL   1           HT2      VAL   1  -8.550   1.850  -0.809
    3   3H    VAL   1           HT3      VAL   1  -9.924   2.224   0.150
    4    HA   VAL   1           HA       VAL   1  -8.775   2.294   2.060
    5    HB   VAL   1           HB       VAL   1  -6.449   1.345   2.259
    6   1HG1  VAL   1          1HG1      VAL   1  -8.958  -0.180   1.990
    7   2HG1  VAL   1          2HG1      VAL   1  -7.849  -0.046   3.355
    8   3HG1  VAL   1          3HG1      VAL   1  -7.473  -1.131   2.016
    9   1HG2  VAL   1          1HG2      VAL   1  -7.132   0.443  -0.501
   10   2HG2  VAL   1          2HG2      VAL   1  -6.128  -0.587   0.520
   11   3HG2  VAL   1          3HG2      VAL   1  -5.606   1.054   0.139
   12    H    GLY   2           HN       GLY   2  -7.279   3.870   2.754
   13   1HA   GLY   2           HA2      GLY   2  -6.776   5.930   0.888
   14   2HA   GLY   2           HA1      GLY   2  -6.159   5.863   2.532
   15    H    CYS   3           HN       CYS   3  -4.477   6.984   0.901
   16    HA   CYS   3           HA       CYS   3  -2.673   4.954  -0.187
   17   1HB   CYS   3           HB2      CYS   3  -3.362   7.077  -1.461
   18   2HB   CYS   3           HB1      CYS   3  -2.287   7.937  -0.364
   19    H    GLU   4           HN       GLU   4  -2.910   7.348   2.347
   20    HA   GLU   4           HA       GLU   4  -0.164   6.801   3.190
   21   1HB   GLU   4           HB2      GLU   4  -2.154   8.911   3.982
   22   2HB   GLU   4           HB1      GLU   4  -0.631   8.680   4.830
   23   1HG   GLU   4           HG2      GLU   4   0.627   9.451   3.066
   24   2HG   GLU   4           HG1      GLU   4  -0.615   9.067   1.875
   25    H    GLU   5           HN       GLU   5  -3.009   5.422   3.648
   26    HA   GLU   5           HA       GLU   5  -2.450   4.735   6.447
   27   1HB   GLU   5           HB2      GLU   5  -5.137   4.806   5.076
   28   2HB   GLU   5           HB1      GLU   5  -4.853   4.317   6.740
   29   1HG   GLU   5           HG2      GLU   5  -3.702   6.884   6.360
   30   2HG   GLU   5           HG1      GLU   5  -5.342   6.907   5.714
   31    H    CYS   6           HN       CYS   6  -1.734   3.520   3.697
   32    HA   CYS   6           HA       CYS   6  -3.040   0.969   3.773
   33   1HB   CYS   6           HB2      CYS   6  -1.105   2.312   1.992
   34   2HB   CYS   6           HB1      CYS   6  -1.024   0.554   2.041
   35    HA   PRO   7           HA       PRO   7   1.635  -0.181   5.065
   36   1HB   PRO   7           HB2      PRO   7   1.762   2.197   6.876
   37   2HB   PRO   7           HB1      PRO   7   3.067   1.370   6.016
   38   1HG   PRO   7           HG2      PRO   7   2.107   3.692   5.122
   39   2HG   PRO   7           HG1      PRO   7   2.574   2.402   3.998
   40   1HD   PRO   7           HD2      PRO   7  -0.145   3.311   4.807
   41   2HD   PRO   7           HD1      PRO   7   0.398   2.627   3.268
   42    H    MET   8           HN       MET   8  -0.965   1.324   6.830
   43    HA   MET   8           HA       MET   8  -0.564  -0.123   9.277
   44   1HB   MET   8           HB2      MET   8  -2.818   1.567   8.190
   45   2HB   MET   8           HB1      MET   8  -2.888   0.789   9.767
   46   1HG   MET   8           HG2      MET   8  -2.193   2.951  10.242
   47   2HG   MET   8           HG1      MET   8  -0.700   2.014  10.267
   48   1HE   MET   8           HE1      MET   8   1.003   3.821   9.936
   49   2HE   MET   8           HE2      MET   8   1.486   4.189   8.280
   50   3HE   MET   8           HE3      MET   8   1.346   2.511   8.806
   51    H    HIS   9           HN       HIS   9  -2.658  -0.364   6.454
   52    HA   HIS   9           HA       HIS   9  -4.049  -2.667   7.501
   53   1HB   HIS   9           HB2      HIS   9  -5.587  -2.273   5.863
   54   2HB   HIS   9           HB1      HIS   9  -4.845  -0.694   5.882
   55    HD1  HIS   9           HD1      HIS   9  -4.089  -3.946   4.010
   56    HD2  HIS   9           HD2      HIS   9  -4.530   0.131   3.399
   57    HE1  HIS   9           HE1      HIS   9  -3.712  -3.599   1.548
   58    HE2  HIS   9           HE2      HIS   9  -4.099  -1.136   1.180
   59    H    CYS  10           HN       CYS  10  -1.814  -2.020   4.809
   60    HA   CYS  10           HA       CYS  10  -1.553  -4.870   4.297
   61   1HB   CYS  10           HB2      CYS  10  -1.472  -2.680   2.650
   62   2HB   CYS  10           HB1      CYS  10   0.238  -3.045   2.848
   63    H    LYS  11           HN       LYS  11   0.762  -5.658   3.880
   64    HA   LYS  11           HA       LYS  11   2.232  -5.320   6.326
   65   1HB   LYS  11           HB2      LYS  11   2.760  -6.964   3.848
   66   2HB   LYS  11           HB1      LYS  11   3.802  -6.978   5.264
   67   1HG   LYS  11           HG2      LYS  11   0.953  -7.475   5.794
   68   2HG   LYS  11           HG1      LYS  11   1.782  -8.711   4.846
   69   1HD   LYS  11           HD2      LYS  11   3.541  -8.069   6.922
   70   2HD   LYS  11           HD1      LYS  11   1.945  -8.144   7.671
   71   1HE   LYS  11           HE2      LYS  11   3.048 -10.292   5.870
   72   2HE   LYS  11           HE1      LYS  11   3.215 -10.312   7.626
   73   1HZ   LYS  11           HZ1      LYS  11   0.901 -10.498   7.897
   74   2HZ   LYS  11           HZ2      LYS  11   1.293 -11.601   6.676
   75   3HZ   LYS  11           HZ3      LYS  11   0.584 -10.118   6.279
   76    H    GLY  12           HN       GLY  12   4.607  -4.943   6.315
   77   1HA   GLY  12           HA2      GLY  12   5.402  -3.038   4.205
   78   2HA   GLY  12           HA1      GLY  12   5.621  -2.649   5.905
   79    H    LYS  13           HN       LYS  13   6.267  -5.552   3.942
   80    HA   LYS  13           HA       LYS  13   9.093  -5.265   4.386
   81   1HB   LYS  13           HB2      LYS  13   7.835  -6.594   6.325
   82   2HB   LYS  13           HB1      LYS  13   8.033  -7.919   5.187
   83   1HG   LYS  13           HG2      LYS  13   9.987  -8.190   6.259
   84   2HG   LYS  13           HG1      LYS  13  10.527  -6.914   5.166
   85   1HD   LYS  13           HD2      LYS  13  10.046  -5.239   6.879
   86   2HD   LYS  13           HD1      LYS  13   9.482  -6.507   7.969
   87   1HE   LYS  13           HE2      LYS  13  11.597  -6.446   8.735
   88   2HE   LYS  13           HE1      LYS  13  11.930  -7.454   7.328
   89   1HZ   LYS  13           HZ1      LYS  13  12.137  -5.033   6.255
   90   2HZ   LYS  13           HZ2      LYS  13  13.448  -5.862   6.929
   91   3HZ   LYS  13           HZ3      LYS  13  12.638  -4.684   7.834
   92    H    ASN  14           HN       ASN  14   6.423  -6.807   2.823
   93    HA   ASN  14           HA       ASN  14   8.191  -7.587   0.667
   94   1HB   ASN  14           HB2      ASN  14   6.397  -9.384   2.220
   95   2HB   ASN  14           HB1      ASN  14   6.461  -9.621   0.476
   96   1HD2  ASN  14          1HD2      ASN  14   7.260 -11.693   1.797
   97   2HD2  ASN  14          2HD2      ASN  14   8.981 -11.846   1.837
   98    H    ALA  15           HN       ALA  15   6.446  -5.371   1.164
   99    HA   ALA  15           HA       ALA  15   5.019  -5.395  -1.309
  100   1HB   ALA  15           HB1      ALA  15   3.573  -5.896   1.196
  101   2HB   ALA  15           HB2      ALA  15   3.131  -6.281  -0.467
  102   3HB   ALA  15           HB3      ALA  15   2.873  -4.653   0.160
  103    H    LYS  16           HN       LYS  16   5.264  -3.418  -2.126
  104    HA   LYS  16           HA       LYS  16   5.701  -1.195  -0.264
  105   1HB   LYS  16           HB2      LYS  16   7.556  -1.356  -1.683
  106   2HB   LYS  16           HB1      LYS  16   6.566  -1.682  -3.098
  107   1HG   LYS  16           HG2      LYS  16   5.910   0.573  -3.281
  108   2HG   LYS  16           HG1      LYS  16   6.502   0.956  -1.663
  109   1HD   LYS  16           HD2      LYS  16   8.031   1.816  -3.341
  110   2HD   LYS  16           HD1      LYS  16   8.802   0.521  -2.421
  111   1HE   LYS  16           HE2      LYS  16   7.371  -0.324  -4.852
  112   2HE   LYS  16           HE1      LYS  16   8.797   0.678  -5.122
  113   1HZ   LYS  16           HZ1      LYS  16   8.603  -2.037  -4.112
  114   2HZ   LYS  16           HZ2      LYS  16   9.742  -1.053  -3.340
  115   3HZ   LYS  16           HZ3      LYS  16   9.833  -1.300  -5.011
  116    HA   PRO  17           HA       PRO  17   1.677   0.395  -1.282
  117   1HB   PRO  17           HB2      PRO  17   2.790   3.014  -0.495
  118   2HB   PRO  17           HB1      PRO  17   1.427   2.121   0.186
  119   1HG   PRO  17           HG2      PRO  17   3.753   2.350   1.500
  120   2HG   PRO  17           HG1      PRO  17   2.772   0.876   1.590
  121   1HD   PRO  17           HD2      PRO  17   5.252   1.411   0.001
  122   2HD   PRO  17           HD1      PRO  17   4.762  -0.057   0.872
  123    H    THR  18           HN       THR  18   0.837   1.108  -3.143
  124    HA   THR  18           HA       THR  18   2.430   2.933  -4.798
  125    HB   THR  18           HB       THR  18   2.216   0.363  -5.449
  126    HG1  THR  18           HG1      THR  18   2.743   1.011  -7.505
  127   1HG2  THR  18          1HG2      THR  18  -0.225   0.398  -5.629
  128   2HG2  THR  18          2HG2      THR  18   0.560   0.016  -7.161
  129   3HG2  THR  18          3HG2      THR  18  -0.094   1.630  -6.881
  130    H    CYS  19           HN       CYS  19   1.388   4.713  -5.401
  131    HA   CYS  19           HA       CYS  19  -1.501   4.834  -4.951
  132   1HB   CYS  19           HB2      CYS  19   0.557   6.576  -4.299
  133   2HB   CYS  19           HB1      CYS  19  -0.244   7.350  -5.660
  134    H    ASP  20           HN       ASP  20  -2.809   4.626  -6.634
  135    HA   ASP  20           HA       ASP  20  -1.937   5.622  -9.236
  136   1HB   ASP  20           HB2      ASP  20  -2.012   3.030  -8.831
  137   2HB   ASP  20           HB1      ASP  20  -3.744   3.254  -9.040
  138    H    ASP  21           HN       ASP  21  -3.131   7.443  -9.416
  139    HA   ASP  21           HA       ASP  21  -4.931   8.837  -9.499
  140   1HB   ASP  21           HB2      ASP  21  -5.913   6.233 -10.560
  141   2HB   ASP  21           HB1      ASP  21  -7.116   7.473 -10.219
  142    H    GLY  22           HN       GLY  22  -4.377   8.316  -6.965
  143   1HA   GLY  22           HA2      GLY  22  -5.260   8.489  -4.873
  144   2HA   GLY  22           HA1      GLY  22  -6.816   8.704  -5.646
  145    H    VAL  23           HN       VAL  23  -5.216   5.843  -6.556
  146    HA   VAL  23           HA       VAL  23  -6.895   4.296  -4.692
  147    HB   VAL  23           HB       VAL  23  -5.948   3.430  -7.426
  148   1HG1  VAL  23          1HG1      VAL  23  -6.354   1.445  -6.378
  149   2HG1  VAL  23          2HG1      VAL  23  -7.990   1.818  -6.922
  150   3HG1  VAL  23          3HG1      VAL  23  -7.518   2.148  -5.255
  151   1HG2  VAL  23          1HG2      VAL  23  -8.023   3.987  -8.325
  152   2HG2  VAL  23          2HG2      VAL  23  -7.643   5.365  -7.292
  153   3HG2  VAL  23          3HG2      VAL  23  -8.779   4.135  -6.738
  154    H    CYS  24           HN       CYS  24  -5.552   3.700  -3.084
  155    HA   CYS  24           HA       CYS  24  -2.796   3.173  -3.384
  156   1HB   CYS  24           HB2      CYS  24  -3.914   3.800  -1.240
  157   2HB   CYS  24           HB1      CYS  24  -4.628   2.192  -1.186
  158    H    ASN  25           HN       ASN  25  -1.660   1.190  -3.282
  159    HA   ASN  25           HA       ASN  25  -3.047  -1.307  -3.471
  160   1HB   ASN  25           HB2      ASN  25  -2.450   0.111  -5.876
  161   2HB   ASN  25           HB1      ASN  25  -1.466  -1.345  -5.811
  162   1HD2  ASN  25          1HD2      ASN  25  -2.671  -2.129  -7.595
  163   2HD2  ASN  25          2HD2      ASN  25  -4.243  -2.808  -7.367
  164    H    CYS  26           HN       CYS  26  -1.831  -2.775  -2.522
  165    HA   CYS  26           HA       CYS  26   1.085  -2.356  -2.438
  166   1HB   CYS  26           HB2      CYS  26   0.952  -3.741  -0.301
  167   2HB   CYS  26           HB1      CYS  26   0.292  -2.111  -0.222
  168    H    ASN  27           HN       ASN  27   2.247  -3.816  -3.493
  169    HA   ASN  27           HA       ASN  27   1.128  -6.514  -3.847
  170   1HB   ASN  27           HB2      ASN  27   2.573  -4.749  -5.795
  171   2HB   ASN  27           HB1      ASN  27   2.586  -6.499  -5.988
  172   1HD2  ASN  27          1HD2      ASN  27   1.082  -3.770  -6.931
  173   2HD2  ASN  27          2HD2      ASN  27  -0.463  -4.410  -7.364
  174    H    VAL  28           HN       VAL  28   4.285  -5.259  -4.721
  175    HA   VAL  28           HA       VAL  28   5.536  -6.825  -2.588
  176    HB   VAL  28           HB       VAL  28   6.460  -7.030  -5.454
  177   1HG1  VAL  28          1HG1      VAL  28   7.877  -8.820  -4.622
  178   2HG1  VAL  28          2HG1      VAL  28   7.232  -8.598  -2.995
  179   3HG1  VAL  28          3HG1      VAL  28   8.196  -7.324  -3.743
  180   1HG2  VAL  28          1HG2      VAL  28   4.511  -8.245  -5.575
  181   2HG2  VAL  28          2HG2      VAL  28   4.566  -8.708  -3.874
  182   3HG2  VAL  28          3HG2      VAL  28   5.642  -9.485  -5.035
  Start of MODEL   24
    1   1H    VAL   1           HT1      VAL   1  -6.908   1.305   4.683
    2   2H    VAL   1           HT2      VAL   1  -8.560   0.849   4.591
    3   3H    VAL   1           HT3      VAL   1  -8.128   2.410   5.160
    4    HA   VAL   1           HA       VAL   1  -7.392   1.490   2.484
    5    HB   VAL   1           HB       VAL   1  -9.423   2.800   1.714
    6   1HG1  VAL   1          1HG1      VAL   1 -10.848   0.894   1.766
    7   2HG1  VAL   1          2HG1      VAL   1 -10.069   0.275   3.223
    8   3HG1  VAL   1          3HG1      VAL   1  -9.188   0.301   1.695
    9   1HG2  VAL   1          1HG2      VAL   1 -10.731   2.153   4.298
   10   2HG2  VAL   1          2HG2      VAL   1 -11.080   3.437   3.140
   11   3HG2  VAL   1          3HG2      VAL   1  -9.707   3.588   4.236
   12    H    GLY   2           HN       GLY   2  -6.861   3.252   1.114
   13   1HA   GLY   2           HA2      GLY   2  -6.866   5.789   1.029
   14   2HA   GLY   2           HA1      GLY   2  -6.120   5.683   2.617
   15    H    CYS   3           HN       CYS   3  -4.648   7.094   1.085
   16    HA   CYS   3           HA       CYS   3  -2.698   5.338  -0.240
   17   1HB   CYS   3           HB2      CYS   3  -3.749   7.270  -1.513
   18   2HB   CYS   3           HB1      CYS   3  -2.847   8.345  -0.452
   19    H    GLU   4           HN       GLU   4  -3.083   7.789   2.239
   20    HA   GLU   4           HA       GLU   4  -0.247   7.722   2.880
   21   1HB   GLU   4           HB2      GLU   4  -2.539   9.309   4.017
   22   2HB   GLU   4           HB1      GLU   4  -0.885   9.431   4.601
   23   1HG   GLU   4           HG2      GLU   4  -0.213  10.665   2.846
   24   2HG   GLU   4           HG1      GLU   4  -1.233   9.791   1.704
   25    H    GLU   5           HN       GLU   5  -2.685   5.754   3.509
   26    HA   GLU   5           HA       GLU   5  -1.815   5.174   6.252
   27   1HB   GLU   5           HB2      GLU   5  -4.473   4.895   4.904
   28   2HB   GLU   5           HB1      GLU   5  -4.072   3.856   6.265
   29   1HG   GLU   5           HG2      GLU   5  -3.393   6.301   7.235
   30   2HG   GLU   5           HG1      GLU   5  -4.764   6.697   6.199
   31    H    CYS   6           HN       CYS   6  -1.730   4.063   3.071
   32    HA   CYS   6           HA       CYS   6  -1.989   1.353   3.159
   33   1HB   CYS   6           HB2      CYS   6  -0.592   3.253   1.493
   34   2HB   CYS   6           HB1      CYS   6   0.310   1.748   1.619
   35    HA   PRO   7           HA       PRO   7   2.808   1.180   4.534
   36   1HB   PRO   7           HB2      PRO   7   2.436   3.520   6.358
   37   2HB   PRO   7           HB1      PRO   7   3.886   2.980   5.504
   38   1HG   PRO   7           HG2      PRO   7   2.462   5.057   4.614
   39   2HG   PRO   7           HG1      PRO   7   3.213   3.908   3.493
   40   1HD   PRO   7           HD2      PRO   7   0.352   4.228   4.230
   41   2HD   PRO   7           HD1      PRO   7   1.066   3.638   2.723
   42    H    MET   8           HN       MET   8  -0.048   2.050   6.370
   43    HA   MET   8           HA       MET   8   0.783   0.209   8.509
   44   1HB   MET   8           HB2      MET   8   0.045   2.769   8.827
   45   2HB   MET   8           HB1      MET   8  -1.539   2.010   8.913
   46   1HG   MET   8           HG2      MET   8  -1.166   1.201  10.951
   47   2HG   MET   8           HG1      MET   8   0.456   0.652  10.534
   48   1HE   MET   8           HE1      MET   8   2.351   4.114  10.706
   49   2HE   MET   8           HE2      MET   8   1.904   2.867   9.542
   50   3HE   MET   8           HE3      MET   8   2.777   2.430  11.011
   51    H    HIS   9           HN       HIS   9  -1.707   0.925   6.155
   52    HA   HIS   9           HA       HIS   9  -3.362  -1.250   7.178
   53   1HB   HIS   9           HB2      HIS   9  -5.143  -0.362   5.974
   54   2HB   HIS   9           HB1      HIS   9  -4.252   1.064   6.459
   55    HD1  HIS   9           HD1      HIS   9  -4.127  -1.219   3.389
   56    HD2  HIS   9           HD2      HIS   9  -4.263   2.791   4.440
   57    HE1  HIS   9           HE1      HIS   9  -4.128   0.041   1.216
   58    HE2  HIS   9           HE2      HIS   9  -4.318   2.465   1.875
   59    H    CYS  10           HN       CYS  10  -0.722  -1.376   5.510
   60    HA   CYS  10           HA       CYS  10  -1.704  -3.523   3.774
   61   1HB   CYS  10           HB2      CYS  10  -0.751  -1.067   2.803
   62   2HB   CYS  10           HB1      CYS  10   0.566  -2.208   2.557
   63    H    LYS  11           HN       LYS  11  -0.954  -4.870   5.509
   64    HA   LYS  11           HA       LYS  11   1.728  -4.891   6.403
   65   1HB   LYS  11           HB2      LYS  11  -0.206  -7.212   6.363
   66   2HB   LYS  11           HB1      LYS  11   1.205  -7.032   7.397
   67   1HG   LYS  11           HG2      LYS  11  -0.761  -4.858   7.585
   68   2HG   LYS  11           HG1      LYS  11  -1.322  -6.437   8.139
   69   1HD   LYS  11           HD2      LYS  11  -0.399  -5.506  10.058
   70   2HD   LYS  11           HD1      LYS  11   0.910  -6.515   9.439
   71   1HE   LYS  11           HE2      LYS  11   2.208  -4.738   8.903
   72   2HE   LYS  11           HE1      LYS  11   0.830  -3.730   8.461
   73   1HZ   LYS  11           HZ1      LYS  11   1.999  -4.203  11.122
   74   2HZ   LYS  11           HZ2      LYS  11   0.377  -3.741  10.984
   75   3HZ   LYS  11           HZ3      LYS  11   1.596  -2.738  10.377
   76    H    GLY  12           HN       GLY  12   3.232  -6.753   6.074
   77   1HA   GLY  12           HA2      GLY  12   3.376  -8.641   4.231
   78   2HA   GLY  12           HA1      GLY  12   3.507  -7.216   3.214
   79    H    LYS  13           HN       LYS  13   5.075  -5.584   4.728
   80    HA   LYS  13           HA       LYS  13   7.166  -5.125   5.479
   81   1HB   LYS  13           HB2      LYS  13   6.809  -7.264   6.752
   82   2HB   LYS  13           HB1      LYS  13   7.673  -8.067   5.454
   83   1HG   LYS  13           HG2      LYS  13   9.269  -7.696   7.148
   84   2HG   LYS  13           HG1      LYS  13   9.587  -6.477   5.911
   85   1HD   LYS  13           HD2      LYS  13   7.682  -5.650   7.986
   86   2HD   LYS  13           HD1      LYS  13   9.318  -5.961   8.571
   87   1HE   LYS  13           HE2      LYS  13  10.247  -4.309   7.216
   88   2HE   LYS  13           HE1      LYS  13   8.852  -4.276   6.138
   89   1HZ   LYS  13           HZ1      LYS  13   7.734  -2.879   7.483
   90   2HZ   LYS  13           HZ2      LYS  13   9.281  -2.459   8.020
   91   3HZ   LYS  13           HZ3      LYS  13   8.347  -3.554   8.909
   92    H    ASN  14           HN       ASN  14   6.435  -6.951   2.758
   93    HA   ASN  14           HA       ASN  14   8.820  -5.995   1.416
   94   1HB   ASN  14           HB2      ASN  14   8.661  -8.619   2.129
   95   2HB   ASN  14           HB1      ASN  14   7.925  -8.662   0.530
   96   1HD2  ASN  14          1HD2      ASN  14  10.728  -7.257   2.189
   97   2HD2  ASN  14          2HD2      ASN  14  11.847  -7.542   0.903
   98    H    ALA  15           HN       ALA  15   6.165  -5.017   1.485
   99    HA   ALA  15           HA       ALA  15   5.484  -5.282  -1.353
  100   1HB   ALA  15           HB1      ALA  15   3.205  -4.905   0.480
  101   2HB   ALA  15           HB2      ALA  15   3.961  -6.499   0.498
  102   3HB   ALA  15           HB3      ALA  15   3.323  -5.843  -1.010
  103    H    LYS  16           HN       LYS  16   5.903  -3.328  -2.161
  104    HA   LYS  16           HA       LYS  16   5.592  -0.953  -0.544
  105   1HB   LYS  16           HB2      LYS  16   7.525  -1.043  -1.954
  106   2HB   LYS  16           HB1      LYS  16   6.545  -1.373  -3.374
  107   1HG   LYS  16           HG2      LYS  16   7.065   0.857  -3.631
  108   2HG   LYS  16           HG1      LYS  16   5.479   0.935  -2.864
  109   1HD   LYS  16           HD2      LYS  16   6.539   2.383  -1.486
  110   2HD   LYS  16           HD1      LYS  16   7.038   0.896  -0.677
  111   1HE   LYS  16           HE2      LYS  16   8.735   1.791  -2.919
  112   2HE   LYS  16           HE1      LYS  16   8.753   2.810  -1.481
  113   1HZ   LYS  16           HZ1      LYS  16   9.424   0.959  -0.156
  114   2HZ   LYS  16           HZ2      LYS  16  10.467   1.047  -1.484
  115   3HZ   LYS  16           HZ3      LYS  16   9.241  -0.118  -1.448
  116    HA   PRO  17           HA       PRO  17   1.443  -0.208  -1.953
  117   1HB   PRO  17           HB2      PRO  17   1.155   2.292  -0.964
  118   2HB   PRO  17           HB1      PRO  17   1.133   0.852   0.061
  119   1HG   PRO  17           HG2      PRO  17   3.372   2.771  -0.463
  120   2HG   PRO  17           HG1      PRO  17   2.854   2.049   1.072
  121   1HD   PRO  17           HD2      PRO  17   4.974   1.119  -0.352
  122   2HD   PRO  17           HD1      PRO  17   3.956   0.071   0.657
  123    H    THR  18           HN       THR  18   0.490   0.690  -3.698
  124    HA   THR  18           HA       THR  18   1.985   2.738  -5.185
  125    HB   THR  18           HB       THR  18   0.398   1.319  -6.984
  126    HG1  THR  18           HG1      THR  18   0.374  -0.435  -5.580
  127   1HG2  THR  18          1HG2      THR  18   2.390   0.847  -8.130
  128   2HG2  THR  18          2HG2      THR  18   3.349   0.991  -6.656
  129   3HG2  THR  18          3HG2      THR  18   2.605   2.424  -7.369
  130    H    CYS  19           HN       CYS  19   0.910   4.547  -5.597
  131    HA   CYS  19           HA       CYS  19  -1.961   4.573  -5.066
  132   1HB   CYS  19           HB2      CYS  19  -0.004   6.257  -4.213
  133   2HB   CYS  19           HB1      CYS  19  -0.621   7.133  -5.607
  134    H    ASP  20           HN       ASP  20  -3.219   4.274  -6.776
  135    HA   ASP  20           HA       ASP  20  -2.565   5.662  -9.258
  136   1HB   ASP  20           HB2      ASP  20  -2.228   3.060  -9.142
  137   2HB   ASP  20           HB1      ASP  20  -3.978   3.034  -9.321
  138    H    ASP  21           HN       ASP  21  -4.043   7.254  -9.318
  139    HA   ASP  21           HA       ASP  21  -6.038   8.353  -9.231
  140   1HB   ASP  21           HB2      ASP  21  -6.640   5.722 -10.493
  141   2HB   ASP  21           HB1      ASP  21  -8.006   6.734 -10.032
  142    H    GLY  22           HN       GLY  22  -5.328   7.702  -6.763
  143   1HA   GLY  22           HA2      GLY  22  -6.179   7.591  -4.651
  144   2HA   GLY  22           HA1      GLY  22  -7.769   7.579  -5.383
  145    H    VAL  23           HN       VAL  23  -5.680   5.126  -6.501
  146    HA   VAL  23           HA       VAL  23  -7.075   3.166  -4.802
  147    HB   VAL  23           HB       VAL  23  -5.827   2.667  -7.505
  148   1HG1  VAL  23          1HG1      VAL  23  -7.587   0.691  -7.202
  149   2HG1  VAL  23          2HG1      VAL  23  -7.225   0.990  -5.502
  150   3HG1  VAL  23          3HG1      VAL  23  -5.925   0.576  -6.621
  151   1HG2  VAL  23          1HG2      VAL  23  -7.843   4.249  -7.426
  152   2HG2  VAL  23          2HG2      VAL  23  -8.775   2.824  -6.968
  153   3HG2  VAL  23          3HG2      VAL  23  -7.927   2.864  -8.514
  154    H    CYS  24           HN       CYS  24  -5.685   2.868  -3.126
  155    HA   CYS  24           HA       CYS  24  -2.842   2.581  -3.591
  156   1HB   CYS  24           HB2      CYS  24  -4.087   3.663  -1.536
  157   2HB   CYS  24           HB1      CYS  24  -4.119   2.003  -0.949
  158    H    ASN  25           HN       ASN  25  -1.673   0.722  -3.515
  159    HA   ASN  25           HA       ASN  25  -2.786  -1.748  -2.560
  160   1HB   ASN  25           HB2      ASN  25  -2.653  -2.950  -4.701
  161   2HB   ASN  25           HB1      ASN  25  -3.836  -1.648  -4.771
  162   1HD2  ASN  25          1HD2      ASN  25  -3.223   0.318  -5.839
  163   2HD2  ASN  25          2HD2      ASN  25  -2.055   0.278  -7.111
  164    H    CYS  26           HN       CYS  26  -1.156  -2.768  -1.614
  165    HA   CYS  26           HA       CYS  26   1.582  -2.119  -2.384
  166   1HB   CYS  26           HB2      CYS  26   2.182  -3.378  -0.305
  167   2HB   CYS  26           HB1      CYS  26   1.135  -1.991  -0.026
  168    H    ASN  27           HN       ASN  27   2.835  -3.429  -3.542
  169    HA   ASN  27           HA       ASN  27   1.957  -6.212  -3.919
  170   1HB   ASN  27           HB2      ASN  27   3.250  -4.299  -5.852
  171   2HB   ASN  27           HB1      ASN  27   3.200  -6.036  -6.136
  172   1HD2  ASN  27          1HD2      ASN  27   2.000  -3.884  -7.667
  173   2HD2  ASN  27          2HD2      ASN  27   0.303  -4.205  -7.707
  174    H    VAL  28           HN       VAL  28   4.949  -4.634  -4.856
  175    HA   VAL  28           HA       VAL  28   6.440  -6.163  -2.863
  176    HB   VAL  28           HB       VAL  28   7.196  -6.254  -5.784
  177   1HG1  VAL  28          1HG1      VAL  28   8.391  -7.276  -3.263
  178   2HG1  VAL  28          2HG1      VAL  28   9.172  -6.613  -4.698
  179   3HG1  VAL  28          3HG1      VAL  28   8.545  -8.261  -4.717
  180   1HG2  VAL  28          1HG2      VAL  28   5.873  -8.378  -4.098
  181   2HG2  VAL  28          2HG2      VAL  28   6.488  -8.604  -5.735
  182   3HG2  VAL  28          3HG2      VAL  28   5.138  -7.507  -5.445
  Start of MODEL   25
    1   1H    VAL   1           HT1      VAL   1  -9.577   3.298   1.252
    2   2H    VAL   1           HT2      VAL   1  -9.883   2.119   2.461
    3   3H    VAL   1           HT3      VAL   1  -8.548   1.936   1.398
    4    HA   VAL   1           HA       VAL   1  -8.933   3.863   3.571
    5    HB   VAL   1           HB       VAL   1  -6.506   2.191   2.995
    6   1HG1  VAL   1          1HG1      VAL   1  -6.471   2.354   5.581
    7   2HG1  VAL   1          2HG1      VAL   1  -7.615   3.675   5.343
    8   3HG1  VAL   1          3HG1      VAL   1  -6.007   3.760   4.623
    9   1HG2  VAL   1          1HG2      VAL   1  -7.507   0.613   4.765
   10   2HG2  VAL   1          2HG2      VAL   1  -8.093   0.485   3.107
   11   3HG2  VAL   1          3HG2      VAL   1  -9.056   1.330   4.318
   12    H    GLY   2           HN       GLY   2  -7.053   5.338   3.854
   13   1HA   GLY   2           HA2      GLY   2  -6.652   6.868   1.499
   14   2HA   GLY   2           HA1      GLY   2  -5.869   7.136   3.049
   15    H    CYS   3           HN       CYS   3  -4.381   7.649   0.912
   16    HA   CYS   3           HA       CYS   3  -2.865   5.318   0.112
   17   1HB   CYS   3           HB2      CYS   3  -3.412   7.495  -1.264
   18   2HB   CYS   3           HB1      CYS   3  -1.975   8.118  -0.461
   19    H    GLU   4           HN       GLU   4  -2.620   7.904   2.426
   20    HA   GLU   4           HA       GLU   4   0.167   7.367   2.994
   21   1HB   GLU   4           HB2      GLU   4  -1.267   9.626   3.166
   22   2HB   GLU   4           HB1      GLU   4  -1.448   9.049   4.816
   23   1HG   GLU   4           HG2      GLU   4   1.242   9.270   3.517
   24   2HG   GLU   4           HG1      GLU   4   0.475  10.647   4.307
   25    H    GLU   5           HN       GLU   5  -2.506   5.751   3.672
   26    HA   GLU   5           HA       GLU   5  -1.674   5.005   6.386
   27   1HB   GLU   5           HB2      GLU   5  -4.341   5.031   5.029
   28   2HB   GLU   5           HB1      GLU   5  -4.055   3.919   6.361
   29   1HG   GLU   5           HG2      GLU   5  -3.757   6.912   6.475
   30   2HG   GLU   5           HG1      GLU   5  -5.113   5.981   7.111
   31    H    CYS   6           HN       CYS   6  -1.470   3.982   3.237
   32    HA   CYS   6           HA       CYS   6  -2.038   1.252   3.424
   33   1HB   CYS   6           HB2      CYS   6  -0.017   2.565   1.623
   34   2HB   CYS   6           HB1      CYS   6  -0.799   1.010   1.360
   35    HA   PRO   7           HA       PRO   7   2.840   1.002   4.341
   36   1HB   PRO   7           HB2      PRO   7   2.724   3.250   6.293
   37   2HB   PRO   7           HB1      PRO   7   4.036   2.763   5.215
   38   1HG   PRO   7           HG2      PRO   7   2.527   4.903   4.677
   39   2HG   PRO   7           HG1      PRO   7   3.114   3.838   3.387
   40   1HD   PRO   7           HD2      PRO   7   0.381   4.065   4.554
   41   2HD   PRO   7           HD1      PRO   7   0.871   3.670   2.900
   42    H    MET   8           HN       MET   8   0.126   1.814   6.381
   43    HA   MET   8           HA       MET   8   1.109  -0.038   8.443
   44   1HB   MET   8           HB2      MET   8   0.396   2.475   8.884
   45   2HB   MET   8           HB1      MET   8  -1.213   1.767   8.933
   46   1HG   MET   8           HG2      MET   8  -0.788   0.580  10.842
   47   2HG   MET   8           HG1      MET   8   0.949   0.520  10.548
   48   1HE   MET   8           HE1      MET   8  -1.505   3.765  12.568
   49   2HE   MET   8           HE2      MET   8  -2.073   2.445  11.545
   50   3HE   MET   8           HE3      MET   8  -1.463   3.929  10.812
   51    H    HIS   9           HN       HIS   9  -1.611   0.712   6.329
   52    HA   HIS   9           HA       HIS   9  -3.119  -1.536   7.392
   53   1HB   HIS   9           HB2      HIS   9  -4.989  -0.711   6.253
   54   2HB   HIS   9           HB1      HIS   9  -4.137   0.731   6.767
   55    HD1  HIS   9           HD1      HIS   9  -3.946  -1.415   3.599
   56    HD2  HIS   9           HD2      HIS   9  -4.355   2.531   4.815
   57    HE1  HIS   9           HE1      HIS   9  -4.084  -0.073   1.481
   58    HE2  HIS   9           HE2      HIS   9  -4.461   2.298   2.243
   59    H    CYS  10           HN       CYS  10  -0.571  -1.683   5.661
   60    HA   CYS  10           HA       CYS  10  -1.633  -3.754   3.875
   61   1HB   CYS  10           HB2      CYS  10  -0.800  -1.393   2.858
   62   2HB   CYS  10           HB1      CYS  10   0.728  -2.267   2.884
   63    H    LYS  11           HN       LYS  11  -0.957  -5.139   5.646
   64    HA   LYS  11           HA       LYS  11   1.670  -5.329   6.594
   65   1HB   LYS  11           HB2      LYS  11  -0.379  -6.434   7.567
   66   2HB   LYS  11           HB1      LYS  11  -0.259  -7.631   6.285
   67   1HG   LYS  11           HG2      LYS  11   1.591  -8.618   7.186
   68   2HG   LYS  11           HG1      LYS  11   2.135  -7.135   7.974
   69   1HD   LYS  11           HD2      LYS  11   0.509  -7.355   9.695
   70   2HD   LYS  11           HD1      LYS  11  -0.324  -8.649   8.831
   71   1HE   LYS  11           HE2      LYS  11   0.862  -9.903  10.319
   72   2HE   LYS  11           HE1      LYS  11   2.049  -9.805   9.018
   73   1HZ   LYS  11           HZ1      LYS  11   2.772  -7.677  10.320
   74   2HZ   LYS  11           HZ2      LYS  11   3.310  -9.205  10.807
   75   3HZ   LYS  11           HZ3      LYS  11   2.030  -8.460  11.624
   76    H    GLY  12           HN       GLY  12   3.159  -7.190   6.207
   77   1HA   GLY  12           HA2      GLY  12   3.415  -8.960   4.288
   78   2HA   GLY  12           HA1      GLY  12   3.527  -7.495   3.326
   79    H    LYS  13           HN       LYS  13   5.010  -5.882   4.952
   80    HA   LYS  13           HA       LYS  13   7.069  -5.394   5.769
   81   1HB   LYS  13           HB2      LYS  13   6.751  -7.606   6.928
   82   2HB   LYS  13           HB1      LYS  13   7.677  -8.312   5.616
   83   1HG   LYS  13           HG2      LYS  13   9.387  -6.399   6.304
   84   2HG   LYS  13           HG1      LYS  13   8.570  -6.592   7.856
   85   1HD   LYS  13           HD2      LYS  13   9.116  -8.937   7.909
   86   2HD   LYS  13           HD1      LYS  13   9.788  -8.856   6.279
   87   1HE   LYS  13           HE2      LYS  13  11.302  -6.993   7.392
   88   2HE   LYS  13           HE1      LYS  13  10.915  -7.893   8.857
   89   1HZ   LYS  13           HZ1      LYS  13  11.966  -9.221   6.431
   90   2HZ   LYS  13           HZ2      LYS  13  11.912  -9.820   8.012
   91   3HZ   LYS  13           HZ3      LYS  13  12.988  -8.577   7.615
   92    H    ASN  14           HN       ASN  14   6.455  -7.112   2.951
   93    HA   ASN  14           HA       ASN  14   8.834  -6.016   1.710
   94   1HB   ASN  14           HB2      ASN  14   8.109  -8.882   1.884
   95   2HB   ASN  14           HB1      ASN  14   8.654  -8.317   0.308
   96   1HD2  ASN  14          1HD2      ASN  14   9.608  -9.508   3.255
   97   2HD2  ASN  14          2HD2      ASN  14  11.284  -9.094   3.187
   98    H    ALA  15           HN       ALA  15   6.135  -5.142   1.762
   99    HA   ALA  15           HA       ALA  15   5.530  -5.313  -1.105
  100   1HB   ALA  15           HB1      ALA  15   3.389  -5.960  -0.826
  101   2HB   ALA  15           HB2      ALA  15   3.196  -5.046   0.670
  102   3HB   ALA  15           HB3      ALA  15   4.000  -6.616   0.693
  103    H    LYS  16           HN       LYS  16   5.994  -3.313  -1.801
  104    HA   LYS  16           HA       LYS  16   5.500  -1.007  -0.127
  105   1HB   LYS  16           HB2      LYS  16   7.520  -0.917  -1.362
  106   2HB   LYS  16           HB1      LYS  16   6.713  -1.354  -2.861
  107   1HG   LYS  16           HG2      LYS  16   5.554   0.809  -2.851
  108   2HG   LYS  16           HG1      LYS  16   6.401   1.242  -1.365
  109   1HD   LYS  16           HD2      LYS  16   8.463   0.496  -2.995
  110   2HD   LYS  16           HD1      LYS  16   7.343   1.234  -4.141
  111   1HE   LYS  16           HE2      LYS  16   8.331   3.153  -3.514
  112   2HE   LYS  16           HE1      LYS  16   7.267   3.032  -2.114
  113   1HZ   LYS  16           HZ1      LYS  16   9.674   3.444  -1.619
  114   2HZ   LYS  16           HZ2      LYS  16   9.995   1.875  -2.163
  115   3HZ   LYS  16           HZ3      LYS  16   8.995   2.116  -0.820
  116    HA   PRO  17           HA       PRO  17   1.474  -0.332  -1.903
  117   1HB   PRO  17           HB2      PRO  17   0.880   1.965  -0.650
  118   2HB   PRO  17           HB1      PRO  17   0.946   0.425   0.215
  119   1HG   PRO  17           HG2      PRO  17   2.988   2.608   0.074
  120   2HG   PRO  17           HG1      PRO  17   2.462   1.657   1.475
  121   1HD   PRO  17           HD2      PRO  17   4.750   1.143   0.052
  122   2HD   PRO  17           HD1      PRO  17   3.856  -0.087   0.965
  123    H    THR  18           HN       THR  18   0.573   0.820  -3.559
  124    HA   THR  18           HA       THR  18   2.071   3.124  -4.586
  125    HB   THR  18           HB       THR  18   2.521   1.020  -5.887
  126    HG1  THR  18           HG1      THR  18   2.893   2.451  -7.353
  127   1HG2  THR  18          1HG2      THR  18   0.219   1.107  -7.523
  128   2HG2  THR  18          2HG2      THR  18  -0.285   0.838  -5.857
  129   3HG2  THR  18          3HG2      THR  18   0.880  -0.249  -6.610
  130    H    CYS  19           HN       CYS  19   0.847   4.681  -5.748
  131    HA   CYS  19           HA       CYS  19  -2.019   4.580  -5.099
  132   1HB   CYS  19           HB2      CYS  19  -0.086   6.544  -4.580
  133   2HB   CYS  19           HB1      CYS  19  -1.109   7.205  -5.848
  134    H    ASP  20           HN       ASP  20  -3.335   4.229  -6.751
  135    HA   ASP  20           HA       ASP  20  -2.615   5.275  -9.381
  136   1HB   ASP  20           HB2      ASP  20  -2.447   2.691  -8.953
  137   2HB   ASP  20           HB1      ASP  20  -4.197   2.756  -9.123
  138    H    ASP  21           HN       ASP  21  -3.973   6.978  -9.551
  139    HA   ASP  21           HA       ASP  21  -5.894   8.205  -9.596
  140   1HB   ASP  21           HB2      ASP  21  -6.743   5.495 -10.553
  141   2HB   ASP  21           HB1      ASP  21  -7.957   6.749 -10.323
  142    H    GLY  22           HN       GLY  22  -5.246   7.751  -7.072
  143   1HA   GLY  22           HA2      GLY  22  -6.099   7.851  -4.963
  144   2HA   GLY  22           HA1      GLY  22  -7.682   7.924  -5.704
  145    H    VAL  23           HN       VAL  23  -5.822   5.214  -6.615
  146    HA   VAL  23           HA       VAL  23  -7.326   3.530  -4.720
  147    HB   VAL  23           HB       VAL  23  -6.371   2.750  -7.477
  148   1HG1  VAL  23          1HG1      VAL  23  -6.562   0.728  -6.458
  149   2HG1  VAL  23          2HG1      VAL  23  -8.255   0.959  -6.896
  150   3HG1  VAL  23          3HG1      VAL  23  -7.712   1.317  -5.257
  151   1HG2  VAL  23          1HG2      VAL  23  -8.976   2.697  -7.804
  152   2HG2  VAL  23          2HG2      VAL  23  -8.071   4.197  -8.009
  153   3HG2  VAL  23          3HG2      VAL  23  -8.947   3.893  -6.508
  154    H    CYS  24           HN       CYS  24  -5.898   3.049  -3.142
  155    HA   CYS  24           HA       CYS  24  -3.106   2.717  -3.586
  156   1HB   CYS  24           HB2      CYS  24  -3.954   3.453  -1.418
  157   2HB   CYS  24           HB1      CYS  24  -4.821   1.935  -1.217
  158    H    ASN  25           HN       ASN  25  -1.877   0.881  -3.734
  159    HA   ASN  25           HA       ASN  25  -3.006  -1.738  -3.435
  160   1HB   ASN  25           HB2      ASN  25  -2.334  -2.340  -5.866
  161   2HB   ASN  25           HB1      ASN  25  -3.876  -1.536  -5.594
  162   1HD2  ASN  25          1HD2      ASN  25  -1.483  -1.633  -7.675
  163   2HD2  ASN  25          2HD2      ASN  25  -1.415   0.012  -8.196
  164    H    CYS  26           HN       CYS  26  -1.454  -2.958  -2.618
  165    HA   CYS  26           HA       CYS  26   1.327  -2.127  -2.941
  166   1HB   CYS  26           HB2      CYS  26   0.216  -4.266  -1.119
  167   2HB   CYS  26           HB1      CYS  26   1.814  -3.533  -1.044
  168    H    ASN  27           HN       ASN  27   2.984  -3.847  -3.200
  169    HA   ASN  27           HA       ASN  27   2.100  -6.239  -4.592
  170   1HB   ASN  27           HB2      ASN  27   3.765  -4.084  -5.877
  171   2HB   ASN  27           HB1      ASN  27   3.754  -5.744  -6.464
  172   1HD2  ASN  27          1HD2      ASN  27   2.176  -2.744  -6.464
  173   2HD2  ASN  27          2HD2      ASN  27   0.798  -3.198  -7.400
  174    H    VAL  28           HN       VAL  28   5.213  -4.613  -4.598
  175    HA   VAL  28           HA       VAL  28   6.288  -6.438  -2.613
  176    HB   VAL  28           HB       VAL  28   6.524  -7.720  -4.689
  177   1HG1  VAL  28          1HG1      VAL  28   7.359  -6.925  -6.631
  178   2HG1  VAL  28          2HG1      VAL  28   8.528  -5.877  -5.828
  179   3HG1  VAL  28          3HG1      VAL  28   6.842  -5.378  -5.963
  180   1HG2  VAL  28          1HG2      VAL  28   8.388  -7.401  -2.794
  181   2HG2  VAL  28          2HG2      VAL  28   9.316  -6.875  -4.198
  182   3HG2  VAL  28          3HG2      VAL  28   8.593  -8.484  -4.170